0 B15R2.2226 C=C(c1ccccc1)c2ccccc2 271570a_100000068269_100000210277 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.2226 C=C(c1ccccc1)c2ccccn2 271570a_100000068269_100011216584 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.2226 C=C(c1ccccc1)c2cccnc2 271570a_100000068269_100000752921 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2226 C=C(c1ccccc1)c2cccnn2 271570a_100000068269_100016991348 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.2226 C=C(c1ccccc1)c2ccncc2 271570a_100000068269_100000035832 [0,0,0,0,0,0|2,0,0]=2 5 B15R2.2226 C=C(c1ccccc1)c2ccncn2 271570a_100000068269_100000703185 [0,0,0,0,0,0|3,0,0]=3 6 B15R2.2226 C=C(c1ccccc1)c2ccnnc2 271570a_100000068269_100000732662 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.2226 C=C(c1ccccc1)c2cnccn2 271570a_100000068269_100000758340 [0,0,0,0,0,0|3,0,0]=3 8 B15R2.2226 C=C(c1ccccc1)c2cncnc2 271570a_100000068269_100011206942 [0,0,0,0,0,0|3,0,0]=3 9 B15R2.2226 C=C(c1ccccc1)c2cnnnc2 271570a_100000068269_100009846058 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.2226 C=C(c1ccccc1)c2ncccn2 271570a_100000068269_100000211032 [0,0,0,0,0,0|3,0,0]=3 11 B15R2.2226 O=C(c1ccccc1)C2C=CCCC2 1458a_100000185807_100000751183 [0,0,0,0,0,0|0,0,4]=4 12 B15R2.2226 O=C(c1ccccc1)N2CC=CCC2 11a_100000698166_100000185807 [0,0,0,0,0,0|1,0,3]=4 13 B15R2.2226 O=C(c1ccccc1)N2CC=CCC2 1626a_100000698166_100000185807 [0,0,0,0,0,0|1,0,3]=4 14 B15R2.2226 O=C(c1ccccc1)N2CC=CCC2 240690a_100000698166_100000185807 [0,0,0,0,0,0|1,0,3]=4 15 B15R2.2226 O=C(c1ccccc1)N2CC=CCC2 527a_100000698166_100000185807 [0,0,0,0,0,0|1,0,3]=4 16 B14R2.6 c1cc(ccn1)Sc2ccncc2 62a_100000728582_100000728582 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.6 c1ccc(cc1)Nc2cccnn2 27a_100000106764_100016991348 [1,0,0,0,0,0|3,0,0]=4 18 B14R2.6 c1ccc(cc1)Nc2ccncn2 27a_100000106764_100000703185 [1,0,0,0,0,0|3,0,0]=4 19 B14R2.6 c1ccc(cc1)Nc2cnccn2 27a_100000106764_100000211759 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.6 c1ccc(cc1)Nc2ncccn2 27a_100000106764_100000211032 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.6 c1ccc(cc1)Sc2ccccc2 62a_100000719477_100000041952 [1,0,0,0,0,0|1,0,0]=2 22 B14R2.6 c1ccc(cc1)Sc2ccccn2 62a_100000719477_100011216584 [1,0,0,0,0,0|2,0,0]=3 23 B14R2.6 c1ccc(cc1)Sc2ccccn2 62a_100011216584_100000041952 [1,0,0,0,0,0|2,0,0]=3 24 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000210063_100000041952 [1,0,0,0,0,0|2,0,0]=3 25 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000719477_100000210063 [1,0,0,0,0,0|2,0,0]=3 26 B14R2.6 c1ccc(cc1)Sc2cccnn2 62a_100000719477_100016991348 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.6 c1ccc(cc1)Sc2cccnn2 62a_100016991348_100000041952 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.6 c1ccc(cc1)Sc2ccncc2 62a_100000719477_100000728582 [1,0,0,0,0,0|2,0,0]=3 29 B14R2.6 c1ccc(cc1)Sc2ccncc2 62a_100000728582_100000041952 [1,0,0,0,0,0|2,0,0]=3 30 B14R2.6 c1ccc(cc1)Sc2ccncn2 62a_100000703185_100000041952 [1,0,0,0,0,0|3,0,0]=4 31 B14R2.6 c1ccc(cc1)Sc2ccncn2 62a_100000719477_100000703185 [1,0,0,0,0,0|3,0,0]=4 32 B14R2.6 c1ccc(cc1)Sc2ccnnc2 62a_100000719477_100000732662 [1,0,0,0,0,0|3,0,0]=4 33 B14R2.6 c1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000041952 [1,0,0,0,0,0|3,0,0]=4 34 B14R2.6 c1ccc(cc1)Sc2cnccn2 62a_100000211759_100000041952 [1,0,0,0,0,0|3,0,0]=4 35 B14R2.6 c1ccc(cc1)Sc2cnccn2 62a_100000719477_100000211759 [1,0,0,0,0,0|3,0,0]=4 36 B14R2.6 c1ccc(cc1)Sc2cncnc2 62a_100000719477_100011206942 [1,0,0,0,0,0|3,0,0]=4 37 B14R2.6 c1ccc(cc1)Sc2cncnc2 62a_100011206942_100000041952 [1,0,0,0,0,0|3,0,0]=4 38 B14R2.6 c1ccc(cc1)Sc2ncccn2 62a_100000211032_100000041952 [1,0,0,0,0,0|3,0,0]=4 39 B14R2.6 c1ccc(cc1)Sc2ncccn2 62a_100000719477_100000211032 [1,0,0,0,0,0|3,0,0]=4 40 B14R2.6 c1ccc(nc1)Sc2ccccn2 62a_100011216584_100011216584 [1,0,0,0,0,0|3,0,0]=4 41 B14R2.6 c1ccc(nc1)Sc2cccnc2 62a_100000210063_100011216584 [1,0,0,0,0,0|3,0,0]=4 42 B14R2.6 c1ccc(nc1)Sc2cccnc2 62a_100011216584_100000210063 [1,0,0,0,0,0|3,0,0]=4 43 B14R2.6 c1ccc(nc1)Sc2ccncc2 62a_100000728582_100011216584 [1,0,0,0,0,0|3,0,0]=4 44 B14R2.6 c1ccc(nc1)Sc2ccncc2 62a_100011216584_100000728582 [1,0,0,0,0,0|3,0,0]=4 45 B14R2.6 c1cncc(c1)Sc2cccnc2 62a_100000210063_100000210063 [1,0,0,0,0,0|3,0,0]=4 46 B14R2.6 c1cncc(c1)Sc2ccncc2 62a_100000210063_100000728582 [1,0,0,0,0,0|3,0,0]=4 47 B14R2.6 c1cncc(c1)Sc2ccncc2 62a_100000728582_100000210063 [1,0,0,0,0,0|3,0,0]=4 48 B16R2.120 C=C(c1ccc(cc1)C)c2ccccn2 271570a_100010895218_100011216584 [0,1,0,0,0,0|2,0,0]=3 49 B16R2.120 C=C(c1ccc(cc1)C)c2cccnc2 271570a_100010895218_100000752921 [0,1,0,0,0,0|2,0,0]=3 50 B16R2.120 C=C(c1ccc(cc1)C)c2cccnn2 271570a_100010895218_100016991348 [0,1,0,0,0,0|3,0,0]=4 51 B16R2.120 C=C(c1ccc(cc1)C)c2ccncn2 271570a_100010895218_100000703185 [0,1,0,0,0,0|3,0,0]=4 52 B16R2.120 C=C(c1ccc(cc1)C)c2ccnnc2 271570a_100010895218_100000732662 [0,1,0,0,0,0|3,0,0]=4 53 B16R2.120 C=C(c1ccc(cc1)C)c2cnccn2 271570a_100010895218_100000758340 [0,1,0,0,0,0|3,0,0]=4 54 B16R2.120 C=C(c1ccc(cc1)C)c2cncnc2 271570a_100010895218_100011206942 [0,1,0,0,0,0|3,0,0]=4 55 B16R2.120 C=C(c1ccc(cc1)C)c2ncccn2 271570a_100010895218_100000211032 [0,1,0,0,0,0|3,0,0]=4 56 B16R2.120 C=C(c1ccc(cc1)Cl)c2ccccn2 271570a_100010171417_100011216584 [0,1,0,0,0,0|2,0,0]=3 57 B16R2.120 C=C(c1ccc(cc1)Cl)c2cccnc2 271570a_100010171417_100000752921 [0,1,0,0,0,0|2,0,0]=3 58 B16R2.120 C=C(c1ccc(cc1)Cl)c2cccnn2 271570a_100010171417_100016991348 [0,1,0,0,0,0|3,0,0]=4 59 B16R2.120 C=C(c1ccc(cc1)Cl)c2ccncn2 271570a_100010171417_100000703185 [0,1,0,0,0,0|3,0,0]=4 60 B16R2.120 C=C(c1ccc(cc1)Cl)c2ccnnc2 271570a_100010171417_100000732662 [0,1,0,0,0,0|3,0,0]=4 61 B16R2.120 C=C(c1ccc(cc1)Cl)c2cnccn2 271570a_100010171417_100000758340 [0,1,0,0,0,0|3,0,0]=4 62 B16R2.120 C=C(c1ccc(cc1)Cl)c2cncnc2 271570a_100010171417_100011206942 [0,1,0,0,0,0|3,0,0]=4 63 B16R2.120 C=C(c1ccc(cc1)Cl)c2ncccn2 271570a_100010171417_100000211032 [0,1,0,0,0,0|3,0,0]=4 64 B16R2.120 C=C(c1ccc(cc1)F)c2ccccn2 271570a_100000068270_100011216584 [0,1,0,0,0,0|2,0,0]=3 65 B16R2.120 C=C(c1ccc(cc1)F)c2cccnc2 271570a_100000068270_100000752921 [0,1,0,0,0,0|2,0,0]=3 66 B16R2.120 C=C(c1ccc(cc1)F)c2cccnn2 271570a_100000068270_100016991348 [0,1,0,0,0,0|3,0,0]=4 67 B16R2.120 C=C(c1ccc(cc1)F)c2ccncn2 271570a_100000068270_100000703185 [0,1,0,0,0,0|3,0,0]=4 68 B16R2.120 C=C(c1ccc(cc1)F)c2ccnnc2 271570a_100000068270_100000732662 [0,1,0,0,0,0|3,0,0]=4 69 B16R2.120 C=C(c1ccc(cc1)F)c2cnccn2 271570a_100000068270_100000758340 [0,1,0,0,0,0|3,0,0]=4 70 B16R2.120 C=C(c1ccc(cc1)F)c2cncnc2 271570a_100000068270_100011206942 [0,1,0,0,0,0|3,0,0]=4 71 B16R2.120 C=C(c1ccc(cc1)F)c2ncccn2 271570a_100000068270_100000211032 [0,1,0,0,0,0|3,0,0]=4 72 B16R2.120 C=C(c1ccccc1)c2cc[n+](cc2)[O-] 271570a_100000068269_100000039755 [0,1,0,0,0,0|2,0,0]=3 73 B16R2.120 C=C(c1ccccc1)c2ccc(=O)[nH]c2 271570a_100000068269_100000212171 [0,1,0,0,0,0|2,0,0]=3 74 B16R2.120 C=C(c1ccccc1)c2ccc(=O)[nH]n2 271570a_100000068269_100009820020 [0,1,0,0,0,0|3,0,0]=4 75 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)Br 271570a_100000068269_100000752885 [0,1,0,0,0,0|1,0,0]=2 76 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)C 271570a_100000068269_100000186775 [0,1,0,0,0,0|1,0,0]=2 77 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)C 271570a_100010895218_100000210277 [0,1,0,0,0,0|1,0,0]=2 78 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)Cl 271570a_100000068269_100000755918 [0,1,0,0,0,0|1,0,0]=2 79 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)Cl 271570a_100010171417_100000210277 [0,1,0,0,0,0|1,0,0]=2 80 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)F 271570a_100000068269_100000211213 [0,1,0,0,0,0|1,0,0]=2 81 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)F 271570a_100000068270_100000210277 [0,1,0,0,0,0|1,0,0]=2 82 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)N 271570a_100000068269_100000185761 [0,1,0,0,0,0|1,0,0]=2 83 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)O 271570a_100000068269_100000185759 [0,1,0,0,0,0|1,0,0]=2 84 B16R2.120 C=C(c1ccccc1)c2ccc(cn2)Br 271570a_100000068269_100000686858 [0,1,0,0,0,0|2,0,0]=3 85 B16R2.120 C=C(c1ccccc1)c2ccc(cn2)C 271570a_100000068269_100000754016 [0,1,0,0,0,0|2,0,0]=3 86 B16R2.120 C=C(c1ccccc1)c2ccc(cn2)Cl 271570a_100000068269_100011356976 [0,1,0,0,0,0|2,0,0]=3 87 B16R2.120 C=C(c1ccccc1)c2ccc(cn2)F 271570a_100000068269_100000744514 [0,1,0,0,0,0|2,0,0]=3 88 B16R2.120 C=C(c1ccccc1)c2ccc(cn2)N 271570a_100000068269_100000744251 [0,1,0,0,0,0|2,0,0]=3 89 B16R2.120 C=C(c1ccccc1)c2ccc(cn2)O 271570a_100000068269_100000685995 [0,1,0,0,0,0|2,0,0]=3 90 B16R2.120 C=C(c1ccccc1)c2ccc(nc2)Br 271570a_100000068269_100009814638 [0,1,0,0,0,0|2,0,0]=3 91 B16R2.120 C=C(c1ccccc1)c2ccc(nc2)C 271570a_100000068269_100000751577 [0,1,0,0,0,0|2,0,0]=3 92 B16R2.120 C=C(c1ccccc1)c2ccc(nc2)Cl 271570a_100000068269_100000034144 [0,1,0,0,0,0|2,0,0]=3 93 B16R2.120 C=C(c1ccccc1)c2ccc(nc2)F 271570a_100000068269_100000748661 [0,1,0,0,0,0|2,0,0]=3 94 B16R2.120 C=C(c1ccccc1)c2ccc(nc2)N 271570a_100000068269_100000187370 [0,1,0,0,0,0|2,0,0]=3 95 B16R2.120 C=C(c1ccccc1)c2ccc(nn2)C 271570a_100000068269_100011450037 [0,1,0,0,0,0|3,0,0]=4 96 B16R2.120 C=C(c1ccccc1)c2ccc(nn2)N 271570a_100000068269_100009816609 [0,1,0,0,0,0|3,0,0]=4 97 B16R2.120 C=C(c1ccccc1)c2cnc(=O)[nH]c2 271570a_100000068269_102495366499 [0,1,0,0,0,0|3,0,0]=4 98 B16R2.120 C=C(c1ccccc1)c2cnc(cn2)C 271570a_100000068269_100011999403 [0,1,0,0,0,0|3,0,0]=4 99 B16R2.120 C=C(c1ccccc1)c2cnc(cn2)F 271570a_100000068269_100009856528 [0,1,0,0,0,0|3,0,0]=4 100 B16R2.120 C=C(c1ccccc1)c2cnc(cn2)N 271570a_100000068269_100000761932 [0,1,0,0,0,0|3,0,0]=4 101 B16R2.120 C=C(c1ccccc1)c2cnc(nc2)Br 271570a_100000068269_200012349914 [0,1,0,0,0,0|3,0,0]=4 102 B16R2.120 C=C(c1ccccc1)c2cnc(nc2)C 271570a_100000068269_100000686985 [0,1,0,0,0,0|3,0,0]=4 103 B16R2.120 C=C(c1ccccc1)c2cnc(nc2)F 271570a_100000068269_100000685262 [0,1,0,0,0,0|3,0,0]=4 104 B16R2.120 C=C(c1ccccc1)c2cnc(nc2)N 271570a_100000068269_100000760574 [0,1,0,0,0,0|3,0,0]=4 105 B16R2.120 C=C(c1ccccc1)c2ncc(cn2)Br 271570a_100000068269_100000690281 [0,1,0,0,0,0|3,0,0]=4 106 B16R2.120 C=C(c1ccccc1)c2ncc(cn2)C 271570a_100000068269_100011825175 [0,1,0,0,0,0|3,0,0]=4 107 B16R2.120 C=C(c1ccccc1)c2ncc(cn2)Cl 271570a_100000068269_100011356929 [0,1,0,0,0,0|3,0,0]=4 108 B16R2.120 C=C(c1ccccc1)c2ncc(cn2)F 271570a_100000068269_100000685220 [0,1,0,0,0,0|3,0,0]=4 109 B16R2.120 C=C(c1ccccc1)c2ncc(cn2)N 271570a_100000068269_100000068403 [0,1,0,0,0,0|3,0,0]=4 110 B16R2.120 C=C(c1ccccc1)c2ncc(cn2)O 271570a_100000068269_100000730009 [0,1,0,0,0,0|3,0,0]=4 111 B16R2.120 C=C(c1ccncc1)c2ccc(cc2)C 271570a_100010895218_100000035832 [0,1,0,0,0,0|2,0,0]=3 112 B16R2.120 C=C(c1ccncc1)c2ccc(cc2)Cl 271570a_100010171417_100000035832 [0,1,0,0,0,0|2,0,0]=3 113 B16R2.120 C=C(c1ccncc1)c2ccc(cc2)F 271570a_100000068270_100000035832 [0,1,0,0,0,0|2,0,0]=3 114 B16R2.120 NC(c1ccccc1)c2ccc(cc2)O 271570a_203496583355_100000745999 [0,1,0,0,0,0|1,0,1]=3 115 B16R2.120 O=C(c1ccc(cc1)O)c2ccccn2 271570a_203496583355_200010179208 [0,1,0,0,0,0|1,0,0]=2 116 B16R2.120 O=C(c1ccc(cc1)O)c2cccnc2 271570a_203496583355_100000753996 [0,1,0,0,0,0|1,0,0]=2 117 B16R2.120 O=C(c1ccccc1)c2ccc(cc2)O 271570a_203496583355_100000718703 [0,1,0,0,0,0|0,0,0]=1 118 B16R2.120 Oc1ccc(cc1)C(O)c2ccccc2 271570a_203496583355_100011217567 [0,1,0,0,0,0|0,0,2]=3 119 B16R2.187 CNC(c1ccccc1)c2ccccc2 2230a_100000162943_200000210301 [0,1,0,0,0,0|1,0,1]=3 120 B16R2.187 CNC(c1ccccc1)c2ccccc2 2230a_106832991635_100000211591 [0,1,0,0,0,0|1,0,1]=3 121 B16R2.187 CNC(c1ccccc1)c2ccccc2 270004a_106832991635_100000210122 [0,1,0,0,0,0|1,0,1]=3 122 B16R2.187 CNC(c1ccccc1)c2ccccc2 34a_100000162943_200000210301 [0,1,0,0,0,0|1,0,1]=3 123 B16R2.187 CNC(c1ccccc1)c2ccccc2 7a_106832991635_100011216954 [0,1,0,0,0,0|1,0,1]=3 124 B16R2.187 CNC(c1ccccc1)c2ccccn2 2230a_100000689936_200000210301 [0,1,0,0,0,0|2,0,1]=4 125 B16R2.187 CNC(c1ccccc1)c2ccccn2 270004a_106832991635_100000210380 [0,1,0,0,0,0|2,0,1]=4 126 B16R2.187 CNC(c1ccccc1)c2cccnc2 2230a_100011232609_200000210301 [0,1,0,0,0,0|2,0,1]=4 127 B16R2.187 CNC(c1ccccc1)c2cccnc2 270004a_106832991635_100000735413 [0,1,0,0,0,0|2,0,1]=4 128 B16R2.187 CNC(c1ccccc1)c2ccncc2 2230a_100025760769_200000210301 [0,1,0,0,0,0|2,0,1]=4 129 B16R2.187 COC(c1ccccc1)c2ccccc2 34a_100000211180_200000210301 [0,1,0,0,0,0|0,0,2]=3 130 B16R2.187 COC(c1ccccc1)c2ccccc2 7a_100000211180_200000210301 [0,1,0,0,0,0|0,0,2]=3 131 B16R2.187 COC(c1ccccc1)c2ccccn2 7a_100000180852_200000210301 [0,1,0,0,0,0|1,0,2]=4 132 B16R2.187 CSC(c1ccccc1)c2ccccc2 62a_100000211591_200000210301 [0,1,0,0,0,0|0,1,1]=3 133 B16R2.187 CSC(c1ccccc1)c2ccccc2 62a_200000210301_100011216954 [0,1,0,0,0,0|0,1,1]=3 134 B16R2.187 [13CH3]NC(c1ccccc1)c2ccccc2 2230a_100000162943_200025704644 [0,1,0,0,0,0|1,0,1]=3 135 B16R2.187 [13CH3]NC(c1ccccc1)c2ccccc2 34a_100000162943_200025704644 [0,1,0,0,0,0|1,0,1]=3 136 B16R2.187 [13CH3]NC(c1ccccc1)c2ccccn2 2230a_100000689936_200025704644 [0,1,0,0,0,0|2,0,1]=4 137 B16R2.187 [13CH3]NC(c1ccccc1)c2cccnc2 2230a_100011232609_200025704644 [0,1,0,0,0,0|2,0,1]=4 138 B16R2.187 [13CH3]NC(c1ccccc1)c2ccncc2 2230a_100025760769_200025704644 [0,1,0,0,0,0|2,0,1]=4 139 B16R2.187 [13CH3]OC(c1ccccc1)c2ccccc2 34a_100000211180_200025704644 [0,1,0,0,0,0|0,0,2]=3 140 B16R2.187 [13CH3]OC(c1ccccc1)c2ccccc2 7a_100000211180_200025704644 [0,1,0,0,0,0|0,0,2]=3 141 B16R2.187 [13CH3]OC(c1ccccc1)c2ccccn2 7a_100000180852_200025704644 [0,1,0,0,0,0|1,0,2]=4 142 B16R2.187 [13CH3]SC(c1ccccc1)c2ccccc2 62a_100000211591_200025704644 [0,1,0,0,0,0|0,1,1]=3 143 B16R2.187 [13CH3]SC(c1ccccc1)c2ccccc2 62a_200025704644_100011216954 [0,1,0,0,0,0|0,1,1]=3 144 B16R2.236 C=C(c1ccccc1)c2c[n+](ccn2)[O-] 271570a_100000068269_100009880115 [0,1,0,0,0,0|3,0,0]=4 145 B16R2.236 C=C(c1ccccc1)c2cc(ccn2)C 271570a_100000068269_100000750283 [0,1,0,0,0,0|2,0,0]=3 146 B16R2.236 C=C(c1ccccc1)c2cc(ccn2)Cl 271570a_100000068269_100010167805 [0,1,0,0,0,0|2,0,0]=3 147 B16R2.236 C=C(c1ccccc1)c2cc(ccn2)F 271570a_100000068269_100009817058 [0,1,0,0,0,0|2,0,0]=3 148 B16R2.236 C=C(c1ccccc1)c2cc(ccn2)N 271570a_100000068269_100009814236 [0,1,0,0,0,0|2,0,0]=3 149 B16R2.236 C=C(c1ccccc1)c2cc(ccn2)O 271570a_100000068269_100000762945 [0,1,0,0,0,0|2,0,0]=3 150 B16R2.236 C=C(c1ccccc1)c2cc(cnn2)C 271570a_100000068269_100000070100 [0,1,0,0,0,0|3,0,0]=4 151 B16R2.236 C=C(c1ccccc1)c2cc(cnn2)O 271570a_100000068269_200010734679 [0,1,0,0,0,0|3,0,0]=4 152 B16R2.236 C=C(c1ccccc1)c2cc(ncn2)C 271570a_100000068269_100000744208 [0,1,0,0,0,0|3,0,0]=4 153 B16R2.236 C=C(c1ccccc1)c2cc(ncn2)F 271570a_100000068269_200009880791 [0,1,0,0,0,0|3,0,0]=4 154 B16R2.236 C=C(c1ccccc1)c2cc(ncn2)N 271570a_100000068269_100000701291 [0,1,0,0,0,0|3,0,0]=4 155 B16R2.236 C=C(c1ccccc1)c2cc(ncn2)O 271570a_100000068269_100000765262 [0,1,0,0,0,0|3,0,0]=4 156 B16R2.236 C=C(c1ccccc1)c2cc[nH]c(=O)c2 271570a_100000068269_100009816521 [0,1,0,0,0,0|2,0,0]=3 157 B16R2.236 C=C(c1ccccc1)c2cc[nH]c(=O)n2 271570a_100000068269_200000134032 [0,1,0,0,0,0|3,0,0]=4 158 B16R2.236 C=C(c1ccccc1)c2ccc[n+](c2)C 271570a_100000068269_100009996589 [0,1,0,0,0,0|2,0,0]=3 159 B16R2.236 C=C(c1ccccc1)c2ccc[n+](c2)[O-] 271570a_100000068269_100009815978 [0,1,0,0,0,0|2,0,0]=3 160 B16R2.236 C=C(c1ccccc1)c2cccc(=O)[nH]2 271570a_100000068269_100000761760 [0,1,0,0,0,0|2,0,0]=3 161 B16R2.236 C=C(c1ccccc1)c2cccc(c2)Br 271570a_100000068269_100000691529 [0,1,0,0,0,0|1,0,0]=2 162 B16R2.236 C=C(c1ccccc1)c2cccc(c2)C 271570a_100000068269_100011215228 [0,1,0,0,0,0|1,0,0]=2 163 B16R2.236 C=C(c1ccccc1)c2cccc(c2)Cl 271570a_100000068269_100000699651 [0,1,0,0,0,0|1,0,0]=2 164 B16R2.236 C=C(c1ccccc1)c2cccc(c2)F 271570a_100000068269_100000685547 [0,1,0,0,0,0|1,0,0]=2 165 B16R2.236 C=C(c1ccccc1)c2cccc(c2)N 271570a_100000068269_100000210019 [0,1,0,0,0,0|1,0,0]=2 166 B16R2.236 C=C(c1ccccc1)c2cccc(c2)O 271570a_100000068269_100000211634 [0,1,0,0,0,0|1,0,0]=2 167 B16R2.236 C=C(c1ccccc1)c2cccc(c2)[S] 271570a_100000068269_114929384022 [0,1,0,0,0,0|1,0,0]=2 168 B16R2.236 C=C(c1ccccc1)c2cccc(n2)Br 271570a_100000068269_100000684672 [0,1,0,0,0,0|2,0,0]=3 169 B16R2.236 C=C(c1ccccc1)c2cccc(n2)C 271570a_100000068269_100000742759 [0,1,0,0,0,0|2,0,0]=3 170 B16R2.236 C=C(c1ccccc1)c2cccc(n2)F 271570a_100000068269_100009815982 [0,1,0,0,0,0|2,0,0]=3 171 B16R2.236 C=C(c1ccccc1)c2cccc(n2)N 271570a_100000068269_100000740741 [0,1,0,0,0,0|2,0,0]=3 172 B16R2.236 C=C(c1ccccc1)c2ccnc(c2)Br 271570a_100000068269_100009814637 [0,1,0,0,0,0|2,0,0]=3 173 B16R2.236 C=C(c1ccccc1)c2ccnc(c2)C 271570a_100000068269_100000758586 [0,1,0,0,0,0|2,0,0]=3 174 B16R2.236 C=C(c1ccccc1)c2ccnc(c2)Cl 271570a_100000068269_100000035001 [0,1,0,0,0,0|2,0,0]=3 175 B16R2.236 C=C(c1ccccc1)c2ccnc(c2)F 271570a_100000068269_100009816116 [0,1,0,0,0,0|2,0,0]=3 176 B16R2.236 C=C(c1ccccc1)c2ccnc(c2)N 271570a_100000068269_100000744379 [0,1,0,0,0,0|2,0,0]=3 177 B16R2.236 C=C(c1ccccc1)c2ccnc(n2)C 271570a_100000068269_100000749937 [0,1,0,0,0,0|3,0,0]=4 178 B16R2.236 C=C(c1ccccc1)c2ccnc(n2)N 271570a_100000068269_100009820717 [0,1,0,0,0,0|3,0,0]=4 179 B16R2.236 C=C(c1ccccc1)c2cn[nH]c(=O)c2 271570a_100000068269_100010197405 [0,1,0,0,0,0|3,0,0]=4 180 B16R2.236 C=C(c1ccccc1)c2cncc(c2)Br 271570a_100000068269_100000728054 [0,1,0,0,0,0|2,0,0]=3 181 B16R2.236 C=C(c1ccccc1)c2cncc(c2)C 271570a_100000068269_100000760492 [0,1,0,0,0,0|2,0,0]=3 182 B16R2.236 C=C(c1ccccc1)c2cncc(c2)Cl 271570a_100000068269_100000049639 [0,1,0,0,0,0|2,0,0]=3 183 B16R2.236 C=C(c1ccccc1)c2cncc(c2)F 271570a_100000068269_100000744099 [0,1,0,0,0,0|2,0,0]=3 184 B16R2.236 C=C(c1ccccc1)c2cncc(c2)N 271570a_100000068269_100000687067 [0,1,0,0,0,0|2,0,0]=3 185 B16R2.236 C=C(c1ccccc1)c2cncc(c2)O 271570a_100000068269_100000754920 [0,1,0,0,0,0|2,0,0]=3 186 B16R2.236 C=C(c1ccccc1)c2cncc(n2)C 271570a_100000068269_100009842155 [0,1,0,0,0,0|3,0,0]=4 187 B16R2.236 C=C(c1ccccc1)c2cncc(n2)F 271570a_100000068269_200009863489 [0,1,0,0,0,0|3,0,0]=4 188 B16R2.236 C=C(c1ccccc1)c2cncc(n2)N 271570a_100000068269_100009819714 [0,1,0,0,0,0|3,0,0]=4 189 B16R2.236 C=C(c1ccccc1)c2cncc(n2)O 271570a_100000068269_100011269956 [0,1,0,0,0,0|3,0,0]=4 190 B16R2.236 C=C(c1ccccc1)c2cnnc(c2)N 271570a_100000068269_100000130277 [0,1,0,0,0,0|3,0,0]=4 191 B16R2.236 C=C(c1ccccc1)c2nccc(n2)C 271570a_100000068269_100011243806 [0,1,0,0,0,0|3,0,0]=4 192 B16R2.236 C=C(c1ccccc1)c2nccc(n2)N 271570a_100000068269_100000757536 [0,1,0,0,0,0|3,0,0]=4 193 B16R2.236 C=C(c1ccccc1)c2nccc(n2)O 271570a_100000068269_100011649813 [0,1,0,0,0,0|3,0,0]=4 194 B16R2.236 NC(c1ccccc1)c2cccc(c2)O 271570a_203496583355_100011212009 [0,1,0,0,0,0|1,0,1]=3 195 B16R2.236 O=C(c1ccccc1)c2cccc(c2)O 271570a_203496583355_100011267660 [0,1,0,0,0,0|0,0,0]=1 196 B16R2.236 O=C(c1ccccc1)c2cncc(c2)O 271570a_203496583355_100011267668 [0,1,0,0,0,0|1,0,0]=2 197 B16R2.3896 C=C(c1ccccc1)c2c[nH]ccc2=O 271570a_100000068269_100009998708 [0,1,0,0,0,0|2,0,0]=3 198 B16R2.3896 C=C(c1ccccc1)c2c[nH]ccc2=S 271570a_100000068269_200012280681 [0,1,0,0,0,0|2,0,0]=3 199 B16R2.3896 C=C(c1ccccc1)c2ccc[nH]c2=O 271570a_100000068269_100000050042 [0,1,0,0,0,0|2,0,0]=3 200 B16R2.3896 C=C(c1ccccc1)c2cccc[n+]2C 271570a_100000068269_100000212160 [0,1,0,0,0,0|2,0,0]=3 201 B16R2.3896 C=C(c1ccccc1)c2cccc[n+]2[O-] 271570a_100000068269_200000042595 [0,1,0,0,0,0|2,0,0]=3 202 B16R2.3896 C=C(c1ccccc1)c2ccccc2Br 271570a_100000068269_100000695589 [0,1,0,0,0,0|1,0,0]=2 203 B16R2.3896 C=C(c1ccccc1)c2ccccc2C 271570a_100000068269_100000210755 [0,1,0,0,0,0|1,0,0]=2 204 B16R2.3896 C=C(c1ccccc1)c2ccccc2Cl 271570a_100000068269_100000764095 [0,1,0,0,0,0|1,0,0]=2 205 B16R2.3896 C=C(c1ccccc1)c2ccccc2F 271570a_100000068269_100011215700 [0,1,0,0,0,0|1,0,0]=2 206 B16R2.3896 C=C(c1ccccc1)c2ccccc2N 271570a_100000068269_100000210017 [0,1,0,0,0,0|1,0,0]=2 207 B16R2.3896 C=C(c1ccccc1)c2ccccc2O 271570a_100000068269_100000739446 [0,1,0,0,0,0|1,0,0]=2 208 B16R2.3896 C=C(c1ccccc1)c2cccnc2Br 271570a_100000068269_100010202626 [0,1,0,0,0,0|2,0,0]=3 209 B16R2.3896 C=C(c1ccccc1)c2cccnc2C 271570a_100000068269_100000751574 [0,1,0,0,0,0|2,0,0]=3 210 B16R2.3896 C=C(c1ccccc1)c2cccnc2Cl 271570a_100000068269_100000036424 [0,1,0,0,0,0|2,0,0]=3 211 B16R2.3896 C=C(c1ccccc1)c2cccnc2F 271570a_100000068269_100009816115 [0,1,0,0,0,0|2,0,0]=3 212 B16R2.3896 C=C(c1ccccc1)c2cccnc2N 271570a_100000068269_100000045569 [0,1,0,0,0,0|2,0,0]=3 213 B16R2.3896 C=C(c1ccccc1)c2ccn[nH]c2=O 271570a_100000068269_100000087129 [0,1,0,0,0,0|3,0,0]=4 214 B16R2.3896 C=C(c1ccccc1)c2ccncc2Br 271570a_100000068269_100000726257 [0,1,0,0,0,0|2,0,0]=3 215 B16R2.3896 C=C(c1ccccc1)c2ccncc2C 271570a_100000068269_100015191297 [0,1,0,0,0,0|2,0,0]=3 216 B16R2.3896 C=C(c1ccccc1)c2ccncc2Cl 271570a_100000068269_100000708259 [0,1,0,0,0,0|2,0,0]=3 217 B16R2.3896 C=C(c1ccccc1)c2ccncc2F 271570a_100000068269_100000047030 [0,1,0,0,0,0|2,0,0]=3 218 B16R2.3896 C=C(c1ccccc1)c2ccncc2N 271570a_100000068269_100009815883 [0,1,0,0,0,0|2,0,0]=3 219 B16R2.3896 C=C(c1ccccc1)c2ccncc2O 271570a_100000068269_100009817591 [0,1,0,0,0,0|2,0,0]=3 220 B16R2.3896 C=C(c1ccccc1)c2cnccc2Br 271570a_100000068269_100010138639 [0,1,0,0,0,0|2,0,0]=3 221 B16R2.3896 C=C(c1ccccc1)c2cnccc2C 271570a_100000068269_100000761580 [0,1,0,0,0,0|2,0,0]=3 222 B16R2.3896 C=C(c1ccccc1)c2cnccc2Cl 271570a_100000068269_100009995489 [0,1,0,0,0,0|2,0,0]=3 223 B16R2.3896 C=C(c1ccccc1)c2cnccc2F 271570a_100000068269_100009820683 [0,1,0,0,0,0|2,0,0]=3 224 B16R2.3896 C=C(c1ccccc1)c2cnccc2N 271570a_100000068269_100000047001 [0,1,0,0,0,0|2,0,0]=3 225 B16R2.3896 C=C(c1ccccc1)c2cncnc2Br 271570a_100000068269_200012461658 [0,1,0,0,0,0|3,0,0]=4 226 B16R2.3896 C=C(c1ccccc1)c2cncnc2C 271570a_100000068269_100009819671 [0,1,0,0,0,0|3,0,0]=4 227 B16R2.3896 C=C(c1ccccc1)c2cncnc2Cl 271570a_100000068269_100000758962 [0,1,0,0,0,0|3,0,0]=4 228 B16R2.3896 C=C(c1ccccc1)c2cncnc2N 271570a_100000068269_100011996079 [0,1,0,0,0,0|3,0,0]=4 229 B16R2.3896 C=C(c1ccccc1)c2cncnc2O 271570a_100000068269_100000751107 [0,1,0,0,0,0|3,0,0]=4 230 B16R2.3896 C=C(c1ccccc1)c2cnncc2N 271570a_100000068269_100009829405 [0,1,0,0,0,0|3,0,0]=4 231 B16R2.3896 C=C(c1ccccc1)c2ncc[nH]c2=O 271570a_100000068269_100000763361 [0,1,0,0,0,0|3,0,0]=4 232 B16R2.3896 C=C(c1ccccc1)c2ncccc2Br 271570a_100000068269_100000696092 [0,1,0,0,0,0|2,0,0]=3 233 B16R2.3896 C=C(c1ccccc1)c2ncccc2C 271570a_100000068269_100000751373 [0,1,0,0,0,0|2,0,0]=3 234 B16R2.3896 C=C(c1ccccc1)c2ncccc2Cl 271570a_100000068269_100011356963 [0,1,0,0,0,0|2,0,0]=3 235 B16R2.3896 C=C(c1ccccc1)c2ncccc2F 271570a_100000068269_100000685392 [0,1,0,0,0,0|2,0,0]=3 236 B16R2.3896 C=C(c1ccccc1)c2ncccc2N 271570a_100000068269_100000688686 [0,1,0,0,0,0|2,0,0]=3 237 B16R2.3896 C=C(c1ccccc1)c2ncccc2O 271570a_100000068269_100000034122 [0,1,0,0,0,0|2,0,0]=3 238 B16R2.3896 C=C(c1ccccc1)c2nccnc2C 271570a_100000068269_100011999405 [0,1,0,0,0,0|3,0,0]=4 239 B16R2.3896 C=C(c1ccccc1)c2nccnc2F 271570a_100000068269_200010125657 [0,1,0,0,0,0|3,0,0]=4 240 B16R2.3896 C=C(c1ccccc1)c2nccnc2N 271570a_100000068269_100000747729 [0,1,0,0,0,0|3,0,0]=4 241 B16R2.3896 C=C(c1ccccc1)c2ncncc2C 271570a_100000068269_100011998708 [0,1,0,0,0,0|3,0,0]=4 242 B16R2.3896 C=C(c1ccccc1)c2ncncc2F 271570a_100000068269_100000069762 [0,1,0,0,0,0|3,0,0]=4 243 B16R2.3896 C=C(c1ccccc1)c2ncncc2N 271570a_100000068269_100000709731 [0,1,0,0,0,0|3,0,0]=4 244 B16R2.3896 C=C(c1ccccc1)c2nnccc2C 271570a_100000068269_100000089043 [0,1,0,0,0,0|3,0,0]=4 245 B16R2.3896 NC(c1ccccc1)c2ccccc2O 271570a_203496583355_100011211563 [0,1,0,0,0,0|1,0,1]=3 246 B16R2.3896 O=C(c1ccccc1)c2ccccc2O 271570a_203496583355_100000198044 [0,1,0,0,0,0|0,0,0]=1 247 B16R2.3896 O=C(c1cccnc1)c2ccccc2O 271570a_203496583355_100011532686 [0,1,0,0,0,0|1,0,0]=2 248 B14R1.166 C=CC=CC(=O)C(C)c1ccccc1 1458a_100016291481_100000230085 [0,0,1,0,0,0|2,0,1]=4 249 B14R1.166 C=CC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100016291481 [0,0,1,0,0,0|3,0,0]=4 250 B14R1.166 C=CC=CC(=O)N(C)c1ccccc1 22a_100000210012_100016291481 [0,0,1,0,0,0|3,0,0]=4 251 B14R2.114 C=C(c1ccccc1)c2c[nH]cn2 271570a_100000068269_100000756875 [0,0,0,0,1,0|3,0,0]=4 252 B14R2.114 C=C(c1ccccc1)c2cc[nH]n2 271570a_100000068269_100000062575 [0,0,0,0,1,0|3,0,0]=4 253 B14R2.114 C=C(c1ccccc1)c2ccco2 271570a_100000068269_100009814098 [0,0,0,0,1,0|2,0,0]=3 254 B14R2.114 C=C(c1ccccc1)c2cccs2 271570a_100000068269_100011215356 [0,0,0,0,1,0|2,0,0]=3 255 B14R2.114 C=C(c1ccccc1)c2ccoc2 271570a_100000068269_100011215275 [0,0,0,0,1,0|2,0,0]=3 256 B14R2.114 C=C(c1ccccc1)c2ccsc2 271570a_100000068269_100000738268 [0,0,0,0,1,0|2,0,0]=3 257 B14R2.114 C=C(c1ccccc1)c2ccsn2 271570a_100000068269_100009818082 [0,0,0,0,1,0|3,0,0]=4 258 B14R2.114 C=C(c1ccccc1)c2cn[nH]c2 271570a_100000068269_100000238712 [0,0,0,0,1,0|3,0,0]=4 259 B14R2.114 C=C(c1ccccc1)c2cnco2 271570a_100000068269_100020591547 [0,0,0,0,1,0|3,0,0]=4 260 B14R2.114 C=C(c1ccccc1)c2cncs2 271570a_100000068269_100011934649 [0,0,0,0,1,0|3,0,0]=4 261 B14R2.114 C=C(c1ccccc1)c2cnoc2 271570a_100000068269_100009815712 [0,0,0,0,1,0|3,0,0]=4 262 B14R2.114 C=C(c1ccccc1)c2cnsc2 271570a_100000068269_100009815736 [0,0,0,0,1,0|3,0,0]=4 263 B14R2.114 C=C(c1ccccc1)c2cscn2 271570a_100000068269_100000751502 [0,0,0,0,1,0|3,0,0]=4 264 B14R2.114 C=C(c1ccccc1)c2ncc[nH]2 271570a_100000068269_100025796157 [0,0,0,0,1,0|3,0,0]=4 265 B14R2.114 C=C(c1ccccc1)c2ncco2 271570a_100000068269_100011787736 [0,0,0,0,1,0|3,0,0]=4 266 B14R2.114 C=C(c1ccccc1)c2nccs2 271570a_100000068269_100000211983 [0,0,0,0,1,0|3,0,0]=4 267 B14R2.114 O=C(c1ccccc1)N2CC=CC2 1626a_100015195280_100000185807 [0,0,0,0,1,0|1,0,2]=4 268 B14R2.114 O=C(c1ccccc1)N2CC=CC2 240690a_100015195280_100000185807 [0,0,0,0,1,0|1,0,2]=4 269 B16R2.88 CC(Cc1ccccc1)c2ccccc2 271570a_100000062452_100000210277 [0,0,0,0,0,1|1,0,1]=3 270 B16R2.88 CC(Cc1ccccn1)c2ccccc2 271570a_100000062452_100011216584 [0,0,0,0,0,1|2,0,1]=4 271 B16R2.88 CC(Cc1cccnc1)c2ccccc2 271570a_100000062452_100000752921 [0,0,0,0,0,1|2,0,1]=4 272 B16R2.88 CC(Cc1ccncc1)c2ccccc2 271570a_100000062452_100000035832 [0,0,0,0,0,1|2,0,1]=4 273 B16R2.88 CC(Nc1ccccc1)c2ccccc2 34a_100000106764_100000211855 [0,0,0,0,0,1|1,0,1]=3 274 B16R2.88 CC(Oc1ccccc1)c2ccccc2 34a_100000210340_100000211855 [0,0,0,0,0,1|1,0,1]=3 275 B16R2.88 CC(Oc1ccccc1)c2ccccc2 7a_100000210340_100000230085 [0,0,0,0,0,1|1,0,1]=3 276 B16R2.88 CC(Oc1cccnc1)c2ccccc2 34a_100000210849_100000211855 [0,0,0,0,0,1|2,0,1]=4 277 B16R2.88 CC(Oc1cccnc1)c2ccccc2 7a_100000210849_100000230085 [0,0,0,0,0,1|2,0,1]=4 278 B16R2.88 CC(Oc1ccncc1)c2ccccc2 34a_100000212176_100000211855 [0,0,0,0,0,1|2,0,1]=4 279 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000230085_100000041952 [0,0,0,0,0,1|1,0,1]=3 280 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000719477_100000230085 [0,0,0,0,0,1|1,0,1]=3 281 B16R2.88 CC(Sc1ccccn1)c2ccccc2 62a_100000230085_100011216584 [0,0,0,0,0,1|2,0,1]=4 282 B16R2.88 CC(Sc1ccccn1)c2ccccc2 62a_100011216584_100000230085 [0,0,0,0,0,1|2,0,1]=4 283 B16R2.88 CC(Sc1cccnc1)c2ccccc2 62a_100000210063_100000230085 [0,0,0,0,0,1|2,0,1]=4 284 B16R2.88 CC(Sc1cccnc1)c2ccccc2 62a_100000230085_100000210063 [0,0,0,0,0,1|2,0,1]=4 285 B16R2.88 CC(Sc1ccncc1)c2ccccc2 62a_100000230085_100000728582 [0,0,0,0,0,1|2,0,1]=4 286 B16R2.88 CC(Sc1ccncc1)c2ccccc2 62a_100000728582_100000230085 [0,0,0,0,0,1|2,0,1]=4 287 B16R2.88 CN(Cc1ccccc1)c2ccccc2 2230a_100000188819_200000210301 [0,0,0,0,0,1|2,0,0]=3 288 B16R2.88 CN(Cc1ccccc1)c2ccccc2 2230a_100000210012_100015291786 [0,0,0,0,0,1|2,0,0]=3 289 B16R2.88 CN(Cc1ccccc1)c2ccccc2 269982a_100000188819_200000210301 [0,0,0,0,0,1|2,0,0]=3 290 B16R2.88 CN(Cc1ccccc1)c2ccccc2 269982a_100000210012_100000211182 [0,0,0,0,0,1|2,0,0]=3 291 B16R2.88 CN(Cc1ccccc1)c2ccccc2 34a_100000188819_200000210301 [0,0,0,0,0,1|2,0,0]=3 292 B16R2.88 CN(Cc1ccccc1)c2ccccc2 34a_100000210012_100015291786 [0,0,0,0,0,1|2,0,0]=3 293 B16R2.88 CN(Cc1ccccn1)c2ccccc2 2230a_100000210012_100000721315 [0,0,0,0,0,1|3,0,0]=4 294 B16R2.88 CN(Cc1ccccn1)c2ccccc2 269982a_100000210012_100000721315 [0,0,0,0,0,1|3,0,0]=4 295 B16R2.88 CN(Cc1ccccn1)c2ccccc2 34a_100000210012_100000721315 [0,0,0,0,0,1|3,0,0]=4 296 B16R2.88 CN(Cc1cccnc1)c2ccccc2 2230a_100000210012_100000741622 [0,0,0,0,0,1|3,0,0]=4 297 B16R2.88 CN(Cc1cccnc1)c2ccccc2 269982a_100000210012_100000733263 [0,0,0,0,0,1|3,0,0]=4 298 B16R2.88 CN(Cc1cccnc1)c2ccccc2 34a_100000210012_100000733263 [0,0,0,0,0,1|3,0,0]=4 299 B16R2.88 CN(Cc1ccncc1)c2ccccc2 2230a_100000210012_100015193705 [0,0,0,0,0,1|3,0,0]=4 300 B16R2.88 CN(Cc1ccncc1)c2ccccc2 269982a_100000210012_100015193705 [0,0,0,0,0,1|3,0,0]=4 301 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 1458a_100000185807_100015291786 [0,0,0,0,0,1|0,0,0]=1 302 B16R2.88 O=C(Cc1ccccn1)c2ccccc2 1458a_100000185807_100000721315 [0,0,0,0,0,1|1,0,0]=2 303 B16R2.88 O=C(Cc1cccnc1)c2ccccc2 1458a_100000185807_100000733263 [0,0,0,0,0,1|1,0,0]=2 304 B16R2.88 O=C(Cc1cccnn1)c2ccccc2 1458a_100000185807_100016990269 [0,0,0,0,0,1|2,0,0]=3 305 B16R2.88 O=C(Cc1ccncc1)c2ccccc2 1458a_100000185807_100000705612 [0,0,0,0,0,1|1,0,0]=2 306 B16R2.88 O=C(Cc1cnccn1)c2ccccc2 1458a_100000185807_100016995436 [0,0,0,0,0,1|2,0,0]=3 307 B16R2.88 O=C(Cc1cncnc1)c2ccccc2 1458a_100000185807_100015196519 [0,0,0,0,0,1|2,0,0]=3 308 B16R2.88 O=C(Cc1ncccn1)c2ccccc2 1458a_100000185807_100000703007 [0,0,0,0,0,1|2,0,0]=3 309 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 11a_100000106764_100000185807 [0,0,0,0,0,1|0,0,0]=1 310 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 1626a_100000106764_100000185807 [0,0,0,0,0,1|0,0,0]=1 311 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 22a_100000106764_100000185807 [0,0,0,0,0,1|0,0,0]=1 312 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 527a_100000106764_100000185807 [0,0,0,0,0,1|0,0,0]=1 313 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 2230a_100000188819_200025704644 [0,0,0,0,0,1|2,0,0]=3 314 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 269982a_100000188819_200025704644 [0,0,0,0,0,1|2,0,0]=3 315 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 34a_100000188819_200025704644 [0,0,0,0,0,1|2,0,0]=3 316 B13R1.44 C=CC=CC(=O)Cc1ccccc1 1458a_100016291481_100015291786 [1,0,1,0,0,0|1,0,1]=4 317 B13R1.44 C=CC=CC(=O)Nc1ccccc1 1626a_100000106764_100016291481 [1,0,1,0,0,0|2,0,0]=4 318 B13R1.44 C=CC=CC(=O)Nc1ccccc1 22a_100000106764_100016291481 [1,0,1,0,0,0|2,0,0]=4 319 B15R1.115 C=CC=CC(=O)CC(=O)c1ccccc1 1458a_100016291481_100000211460 [0,1,1,0,0,0|0,0,1]=3 320 B15R1.115 C=CC=CC(=O)CC(=O)c1ccccn1 1458a_100016291481_100000027445 [0,1,1,0,0,0|1,0,1]=4 321 B15R1.115 C=CC=CC(=O)CC(=O)c1cccnc1 1458a_100016291481_100015188593 [0,1,1,0,0,0|1,0,1]=4 322 B15R1.115 C=CC=CC(=O)CC(=O)c1ccncc1 1458a_100016291481_100000027454 [0,1,1,0,0,0|1,0,1]=4 323 B15R1.1319 C=CCN(CC=C)C(=O)c1ccccc1 11a_100000210471_100000185807 [0,1,1,0,0,0|1,0,1]=4 324 B15R1.1319 C=CCN(CC=C)C(=O)c1ccccc1 1626a_100000210471_100000185807 [0,1,1,0,0,0|1,0,1]=4 325 B15R1.1319 C=CCN(CC=C)C(=O)c1ccccc1 240690a_100000210471_100000185807 [0,1,1,0,0,0|1,0,1]=4 326 B15R1.1319 C=CCN(CC=C)C(=O)c1ccccc1 527a_100000210471_100000185807 [0,1,1,0,0,0|1,0,1]=4 327 B15R2.29 Brc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000752885 [1,1,0,0,0,0|1,0,0]=3 328 B15R2.29 Brc1ccc(cc1)Sc2ccccc2 62a_100000752885_100000041952 [1,1,0,0,0,0|1,0,0]=3 329 B15R2.29 Brc1ccc(cc1)Sc2ccccn2 62a_100000752885_100011216584 [1,1,0,0,0,0|2,0,0]=4 330 B15R2.29 Brc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000752885 [1,1,0,0,0,0|2,0,0]=4 331 B15R2.29 Brc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000752885 [1,1,0,0,0,0|2,0,0]=4 332 B15R2.29 Brc1ccc(cc1)Sc2cccnc2 62a_100000752885_100000210063 [1,1,0,0,0,0|2,0,0]=4 333 B15R2.29 Brc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000752885 [1,1,0,0,0,0|2,0,0]=4 334 B15R2.29 Brc1ccc(cc1)Sc2ccncc2 62a_100000752885_100000728582 [1,1,0,0,0,0|2,0,0]=4 335 B15R2.29 Brc1ccc(cn1)Sc2ccccc2 62a_100000719477_100009814638 [1,1,0,0,0,0|2,0,0]=4 336 B15R2.29 Brc1ccc(cn1)Sc2ccccc2 62a_100009814638_100000041952 [1,1,0,0,0,0|2,0,0]=4 337 B15R2.29 Brc1ccc(nc1)Nc2ccccc2 27a_100000106764_100000686858 [1,1,0,0,0,0|2,0,0]=4 338 B15R2.29 Brc1ccc(nc1)Sc2ccccc2 62a_100000686858_100000041952 [1,1,0,0,0,0|2,0,0]=4 339 B15R2.29 Brc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000686858 [1,1,0,0,0,0|2,0,0]=4 340 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 62a_100000186775_100000041952 [1,1,0,0,0,0|1,0,0]=3 341 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000186775 [1,1,0,0,0,0|1,0,0]=3 342 B15R2.29 Cc1ccc(cc1)Sc2ccccn2 62a_100000186775_100011216584 [1,1,0,0,0,0|2,0,0]=4 343 B15R2.29 Cc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000186775 [1,1,0,0,0,0|2,0,0]=4 344 B15R2.29 Cc1ccc(cc1)Sc2cccnc2 62a_100000186775_100000210063 [1,1,0,0,0,0|2,0,0]=4 345 B15R2.29 Cc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000186775 [1,1,0,0,0,0|2,0,0]=4 346 B15R2.29 Cc1ccc(cc1)Sc2ccncc2 62a_100000186775_100000728582 [1,1,0,0,0,0|2,0,0]=4 347 B15R2.29 Cc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000186775 [1,1,0,0,0,0|2,0,0]=4 348 B15R2.29 Cc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000751577 [1,1,0,0,0,0|2,0,0]=4 349 B15R2.29 Cc1ccc(cn1)Sc2ccccc2 62a_100000751577_100000041952 [1,1,0,0,0,0|2,0,0]=4 350 B15R2.29 Cc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000754016 [1,1,0,0,0,0|2,0,0]=4 351 B15R2.29 Cc1ccc(nc1)Sc2ccccc2 62a_100011192072_100000041952 [1,1,0,0,0,0|2,0,0]=4 352 B15R2.29 Clc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000755918 [1,1,0,0,0,0|1,0,0]=3 353 B15R2.29 Clc1ccc(cc1)Sc2ccccc2 62a_100000755918_100000041952 [1,1,0,0,0,0|1,0,0]=3 354 B15R2.29 Clc1ccc(cc1)Sc2ccccn2 62a_100000755918_100011216584 [1,1,0,0,0,0|2,0,0]=4 355 B15R2.29 Clc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000755918 [1,1,0,0,0,0|2,0,0]=4 356 B15R2.29 Clc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000755918 [1,1,0,0,0,0|2,0,0]=4 357 B15R2.29 Clc1ccc(cc1)Sc2cccnc2 62a_100000755918_100000210063 [1,1,0,0,0,0|2,0,0]=4 358 B15R2.29 Clc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000755918 [1,1,0,0,0,0|2,0,0]=4 359 B15R2.29 Clc1ccc(cc1)Sc2ccncc2 62a_100000755918_100000728582 [1,1,0,0,0,0|2,0,0]=4 360 B15R2.29 Clc1ccc(cn1)Sc2ccccc2 62a_100000034144_100000041952 [1,1,0,0,0,0|2,0,0]=4 361 B15R2.29 Clc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000034144 [1,1,0,0,0,0|2,0,0]=4 362 B15R2.29 Clc1ccc(nc1)Sc2ccccc2 62a_100000719477_100011356976 [1,1,0,0,0,0|2,0,0]=4 363 B15R2.29 Clc1ccc(nc1)Sc2ccccc2 62a_100011356976_100000041952 [1,1,0,0,0,0|2,0,0]=4 364 B15R2.29 Fc1ccc(cc1)Sc2ccccc2 62a_100000211213_100000041952 [1,1,0,0,0,0|1,0,0]=3 365 B15R2.29 Fc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000211213 [1,1,0,0,0,0|1,0,0]=3 366 B15R2.29 Fc1ccc(cc1)Sc2ccccn2 62a_100000211213_100011216584 [1,1,0,0,0,0|2,0,0]=4 367 B15R2.29 Fc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000211213 [1,1,0,0,0,0|2,0,0]=4 368 B15R2.29 Fc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000211213 [1,1,0,0,0,0|2,0,0]=4 369 B15R2.29 Fc1ccc(cc1)Sc2cccnc2 62a_100000211213_100000210063 [1,1,0,0,0,0|2,0,0]=4 370 B15R2.29 Fc1ccc(cc1)Sc2ccncc2 62a_100000211213_100000728582 [1,1,0,0,0,0|2,0,0]=4 371 B15R2.29 Fc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000211213 [1,1,0,0,0,0|2,0,0]=4 372 B15R2.29 Fc1ccc(cn1)Sc2ccccc2 62a_100000042367_100000041952 [1,1,0,0,0,0|2,0,0]=4 373 B15R2.29 Fc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000042367 [1,1,0,0,0,0|2,0,0]=4 374 B15R2.29 Fc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000744514 [1,1,0,0,0,0|2,0,0]=4 375 B15R2.29 Fc1ccc(nc1)Sc2ccccc2 62a_100000744514_100000041952 [1,1,0,0,0,0|2,0,0]=4 376 B15R2.29 Nc1ccc(cc1)Sc2ccccc2 62a_100000185761_100000041952 [1,1,0,0,0,0|1,0,0]=3 377 B15R2.29 Nc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000185761 [1,1,0,0,0,0|1,0,0]=3 378 B15R2.29 Nc1ccc(cc1)Sc2ccccn2 62a_100000185761_100011216584 [1,1,0,0,0,0|2,0,0]=4 379 B15R2.29 Nc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000185761 [1,1,0,0,0,0|2,0,0]=4 380 B15R2.29 Nc1ccc(cc1)Sc2cccnc2 62a_100000185761_100000210063 [1,1,0,0,0,0|2,0,0]=4 381 B15R2.29 Nc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000185761 [1,1,0,0,0,0|2,0,0]=4 382 B15R2.29 Nc1ccc(cc1)Sc2ccncc2 62a_100000185761_100000728582 [1,1,0,0,0,0|2,0,0]=4 383 B15R2.29 Nc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000185761 [1,1,0,0,0,0|2,0,0]=4 384 B15R2.29 Nc1ccc(cn1)Sc2ccccc2 62a_100000187370_100000041952 [1,1,0,0,0,0|2,0,0]=4 385 B15R2.29 Nc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000187370 [1,1,0,0,0,0|2,0,0]=4 386 B15R2.29 Nc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000737798 [1,1,0,0,0,0|2,0,0]=4 387 B15R2.29 Nc1ccc(nc1)Sc2ccccc2 62a_100000737798_100000041952 [1,1,0,0,0,0|2,0,0]=4 388 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccc2 62a_100000212171_100000041952 [1,1,0,0,0,0|2,0,0]=4 389 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccc2 62a_100000719477_100000212171 [1,1,0,0,0,0|2,0,0]=4 390 B15R2.29 Oc1cc[n+](cc1)Cc2ccccc2 271570a_203496583355_200011068538 [1,1,0,0,0,0|1,0,1]=4 391 B15R2.29 Oc1ccc(cc1)Cc2ccccc2 271570a_203496583355_100011356940 [1,1,0,0,0,0|0,0,1]=3 392 B15R2.29 Oc1ccc(cc1)Nc2ccccc2 271570a_203496583355_100009815781 [1,1,0,0,0,0|1,0,0]=3 393 B15R2.29 Oc1ccc(cc1)Oc2ccccc2 271570a_203496583355_100011215699 [1,1,0,0,0,0|1,0,0]=3 394 B15R2.29 Oc1ccc(cc1)Oc2ccccn2 271570a_203496583355_100000173464 [1,1,0,0,0,0|2,0,0]=4 395 B15R2.29 Oc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000185759 [1,1,0,0,0,0|1,0,0]=3 396 B15R2.29 Oc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000185759 [1,1,0,0,0,0|2,0,0]=4 397 B15R2.29 Oc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000185759 [1,1,0,0,0,0|2,0,0]=4 398 B15R2.29 Oc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000185759 [1,1,0,0,0,0|2,0,0]=4 399 B15R2.29 Oc1ccc(nc1)Oc2ccccc2 271570a_203496583355_200011465514 [1,1,0,0,0,0|2,0,0]=4 400 B15R2.29 Oc1ccc(nc1)Sc2ccccc2 271570a_203496583355_100011465531 [1,1,0,0,0,0|2,0,0]=4 401 B15R2.29 Oc1ccc(nc1)Sc2ccccc2 62a_100000685995_100000041952 [1,1,0,0,0,0|2,0,0]=4 402 B15R2.29 Oc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000744096 [1,1,0,0,0,0|2,0,0]=4 403 B15R2.29 [O-][n+]1ccc(cc1)Sc2ccccc2 62a_100000719477_100000039755 [1,1,0,0,0,0|2,0,0]=4 404 B15R2.31 Brc1cc(ccn1)Sc2ccccc2 62a_100000719477_100009814637 [1,1,0,0,0,0|2,0,0]=4 405 B15R2.31 Brc1cc(ccn1)Sc2ccccc2 62a_100009814637_100000041952 [1,1,0,0,0,0|2,0,0]=4 406 B15R2.31 Brc1cccc(c1)Sc2ccccc2 62a_100000691529_100000041952 [1,1,0,0,0,0|1,0,0]=3 407 B15R2.31 Brc1cccc(c1)Sc2ccccc2 62a_100000719477_100000691529 [1,1,0,0,0,0|1,0,0]=3 408 B15R2.31 Brc1cccc(c1)Sc2ccccn2 62a_100000691529_100011216584 [1,1,0,0,0,0|2,0,0]=4 409 B15R2.31 Brc1cccc(c1)Sc2ccccn2 62a_100011216584_100000691529 [1,1,0,0,0,0|2,0,0]=4 410 B15R2.31 Brc1cccc(c1)Sc2cccnc2 62a_100000210063_100000691529 [1,1,0,0,0,0|2,0,0]=4 411 B15R2.31 Brc1cccc(c1)Sc2cccnc2 62a_100000691529_100000210063 [1,1,0,0,0,0|2,0,0]=4 412 B15R2.31 Brc1cccc(c1)Sc2ccncc2 62a_100000691529_100000728582 [1,1,0,0,0,0|2,0,0]=4 413 B15R2.31 Brc1cccc(c1)Sc2ccncc2 62a_100000728582_100000691529 [1,1,0,0,0,0|2,0,0]=4 414 B15R2.31 Brc1cccc(n1)Sc2ccccc2 62a_100000684672_100000041952 [1,1,0,0,0,0|2,0,0]=4 415 B15R2.31 Brc1cccc(n1)Sc2ccccc2 62a_100000719477_100000684672 [1,1,0,0,0,0|2,0,0]=4 416 B15R2.31 Brc1cncc(c1)Sc2ccccc2 62a_100000719477_100000728054 [1,1,0,0,0,0|2,0,0]=4 417 B15R2.31 Brc1cncc(c1)Sc2ccccc2 62a_100000728054_100000041952 [1,1,0,0,0,0|2,0,0]=4 418 B15R2.31 C[n+]1cccc(c1)Sc2ccccc2 62a_100000719477_100009996589 [1,1,0,0,0,0|2,0,0]=4 419 B15R2.31 C[n+]1cccc(c1)Sc2ccccc2 62a_100009996589_100000041952 [1,1,0,0,0,0|2,0,0]=4 420 B15R2.31 Cc1cc(ccn1)Nc2ccccc2 27a_100000106764_100000758586 [1,1,0,0,0,0|2,0,0]=4 421 B15R2.31 Cc1cc(ccn1)Sc2ccccc2 62a_100000719477_100000758586 [1,1,0,0,0,0|2,0,0]=4 422 B15R2.31 Cc1cc(ccn1)Sc2ccccc2 62a_100000758586_100000041952 [1,1,0,0,0,0|2,0,0]=4 423 B15R2.31 Cc1cccc(c1)Sc2ccccc2 62a_100000719477_100011215228 [1,1,0,0,0,0|1,0,0]=3 424 B15R2.31 Cc1cccc(c1)Sc2ccccc2 62a_100011215228_100000041952 [1,1,0,0,0,0|1,0,0]=3 425 B15R2.31 Cc1cccc(c1)Sc2ccccn2 62a_100011215228_100011216584 [1,1,0,0,0,0|2,0,0]=4 426 B15R2.31 Cc1cccc(c1)Sc2ccccn2 62a_100011216584_100011215228 [1,1,0,0,0,0|2,0,0]=4 427 B15R2.31 Cc1cccc(c1)Sc2cccnc2 62a_100000210063_100011215228 [1,1,0,0,0,0|2,0,0]=4 428 B15R2.31 Cc1cccc(c1)Sc2cccnc2 62a_100011215228_100000210063 [1,1,0,0,0,0|2,0,0]=4 429 B15R2.31 Cc1cccc(c1)Sc2ccncc2 62a_100000728582_100011215228 [1,1,0,0,0,0|2,0,0]=4 430 B15R2.31 Cc1cccc(c1)Sc2ccncc2 62a_100011215228_100000728582 [1,1,0,0,0,0|2,0,0]=4 431 B15R2.31 Cc1cccc(n1)Sc2ccccc2 62a_100000719477_100000742759 [1,1,0,0,0,0|2,0,0]=4 432 B15R2.31 Cc1cccc(n1)Sc2ccccc2 62a_100000742759_100000041952 [1,1,0,0,0,0|2,0,0]=4 433 B15R2.31 Cc1ccnc(c1)Sc2ccccc2 62a_100000719477_100000750283 [1,1,0,0,0,0|2,0,0]=4 434 B15R2.31 Cc1ccnc(c1)Sc2ccccc2 62a_100000750283_100000041952 [1,1,0,0,0,0|2,0,0]=4 435 B15R2.31 Cc1cncc(c1)Sc2ccccc2 62a_100000719477_100000760492 [1,1,0,0,0,0|2,0,0]=4 436 B15R2.31 Cc1cncc(c1)Sc2ccccc2 62a_100000760492_100000041952 [1,1,0,0,0,0|2,0,0]=4 437 B15R2.31 Clc1cc(ccn1)Sc2ccccc2 62a_100000035001_100000041952 [1,1,0,0,0,0|2,0,0]=4 438 B15R2.31 Clc1cc(ccn1)Sc2ccccc2 62a_100000719477_100000035001 [1,1,0,0,0,0|2,0,0]=4 439 B15R2.31 Clc1cccc(c1)Sc2ccccc2 62a_100000699651_100000041952 [1,1,0,0,0,0|1,0,0]=3 440 B15R2.31 Clc1cccc(c1)Sc2ccccc2 62a_100000719477_100000699651 [1,1,0,0,0,0|1,0,0]=3 441 B15R2.31 Clc1cccc(c1)Sc2ccccn2 62a_100000699651_100011216584 [1,1,0,0,0,0|2,0,0]=4 442 B15R2.31 Clc1cccc(c1)Sc2ccccn2 62a_100011216584_100000699651 [1,1,0,0,0,0|2,0,0]=4 443 B15R2.31 Clc1cccc(c1)Sc2cccnc2 62a_100000210063_100000699651 [1,1,0,0,0,0|2,0,0]=4 444 B15R2.31 Clc1cccc(c1)Sc2cccnc2 62a_100000699651_100000210063 [1,1,0,0,0,0|2,0,0]=4 445 B15R2.31 Clc1cccc(c1)Sc2ccncc2 62a_100000699651_100000728582 [1,1,0,0,0,0|2,0,0]=4 446 B15R2.31 Clc1cccc(c1)Sc2ccncc2 62a_100000728582_100000699651 [1,1,0,0,0,0|2,0,0]=4 447 B15R2.31 Clc1cccc(n1)Sc2ccccc2 62a_100000051397_100000041952 [1,1,0,0,0,0|2,0,0]=4 448 B15R2.31 Clc1cccc(n1)Sc2ccccc2 62a_100000719477_100000051397 [1,1,0,0,0,0|2,0,0]=4 449 B15R2.31 Clc1ccnc(c1)Sc2ccccc2 62a_100000719477_100010167805 [1,1,0,0,0,0|2,0,0]=4 450 B15R2.31 Clc1ccnc(c1)Sc2ccccc2 62a_100010167805_100000041952 [1,1,0,0,0,0|2,0,0]=4 451 B15R2.31 Clc1cncc(c1)Sc2ccccc2 62a_100000049639_100000041952 [1,1,0,0,0,0|2,0,0]=4 452 B15R2.31 Clc1cncc(c1)Sc2ccccc2 62a_100000719477_100000049639 [1,1,0,0,0,0|2,0,0]=4 453 B15R2.31 Fc1cc(ccn1)Nc2ccccc2 27a_100000106764_100009816116 [1,1,0,0,0,0|2,0,0]=4 454 B15R2.31 Fc1cc(ccn1)Sc2ccccc2 62a_100000719477_100009816116 [1,1,0,0,0,0|2,0,0]=4 455 B15R2.31 Fc1cc(ccn1)Sc2ccccc2 62a_100009816116_100000041952 [1,1,0,0,0,0|2,0,0]=4 456 B15R2.31 Fc1cccc(c1)Sc2ccccc2 62a_100000685547_100000041952 [1,1,0,0,0,0|1,0,0]=3 457 B15R2.31 Fc1cccc(c1)Sc2ccccc2 62a_100000719477_100000685547 [1,1,0,0,0,0|1,0,0]=3 458 B15R2.31 Fc1cccc(c1)Sc2ccccn2 62a_100000685547_100011216584 [1,1,0,0,0,0|2,0,0]=4 459 B15R2.31 Fc1cccc(c1)Sc2ccccn2 62a_100011216584_100000685547 [1,1,0,0,0,0|2,0,0]=4 460 B15R2.31 Fc1cccc(c1)Sc2cccnc2 62a_100000210063_100000685547 [1,1,0,0,0,0|2,0,0]=4 461 B15R2.31 Fc1cccc(c1)Sc2cccnc2 62a_100000685547_100000210063 [1,1,0,0,0,0|2,0,0]=4 462 B15R2.31 Fc1cccc(c1)Sc2ccncc2 62a_100000685547_100000728582 [1,1,0,0,0,0|2,0,0]=4 463 B15R2.31 Fc1cccc(c1)Sc2ccncc2 62a_100000728582_100000685547 [1,1,0,0,0,0|2,0,0]=4 464 B15R2.31 Fc1cccc(n1)Nc2ccccc2 27a_100000106764_100009815982 [1,1,0,0,0,0|2,0,0]=4 465 B15R2.31 Fc1cccc(n1)Sc2ccccc2 62a_100000719477_100009815982 [1,1,0,0,0,0|2,0,0]=4 466 B15R2.31 Fc1cccc(n1)Sc2ccccc2 62a_100009815982_100000041952 [1,1,0,0,0,0|2,0,0]=4 467 B15R2.31 Fc1ccnc(c1)Nc2ccccc2 27a_100000106764_100000764206 [1,1,0,0,0,0|2,0,0]=4 468 B15R2.31 Fc1ccnc(c1)Sc2ccccc2 62a_100000719477_100000764206 [1,1,0,0,0,0|2,0,0]=4 469 B15R2.31 Fc1ccnc(c1)Sc2ccccc2 62a_100000764206_100000041952 [1,1,0,0,0,0|2,0,0]=4 470 B15R2.31 Fc1cncc(c1)Sc2ccccc2 62a_100000719477_100000744099 [1,1,0,0,0,0|2,0,0]=4 471 B15R2.31 Fc1cncc(c1)Sc2ccccc2 62a_100000744099_100000041952 [1,1,0,0,0,0|2,0,0]=4 472 B15R2.31 Nc1cc(ccn1)Sc2ccccc2 62a_100000049665_100000041952 [1,1,0,0,0,0|2,0,0]=4 473 B15R2.31 Nc1cc(ccn1)Sc2ccccc2 62a_100000719477_100000049665 [1,1,0,0,0,0|2,0,0]=4 474 B15R2.31 Nc1cccc(c1)Sc2ccccc2 62a_100000210019_100000041952 [1,1,0,0,0,0|1,0,0]=3 475 B15R2.31 Nc1cccc(c1)Sc2ccccc2 62a_100000719477_100000210019 [1,1,0,0,0,0|1,0,0]=3 476 B15R2.31 Nc1cccc(c1)Sc2ccccn2 62a_100000210019_100011216584 [1,1,0,0,0,0|2,0,0]=4 477 B15R2.31 Nc1cccc(c1)Sc2ccccn2 62a_100011216584_100000210019 [1,1,0,0,0,0|2,0,0]=4 478 B15R2.31 Nc1cccc(c1)Sc2cccnc2 62a_100000210019_100000210063 [1,1,0,0,0,0|2,0,0]=4 479 B15R2.31 Nc1cccc(c1)Sc2cccnc2 62a_100000210063_100000210019 [1,1,0,0,0,0|2,0,0]=4 480 B15R2.31 Nc1cccc(c1)Sc2ccncc2 62a_100000210019_100000728582 [1,1,0,0,0,0|2,0,0]=4 481 B15R2.31 Nc1cccc(c1)Sc2ccncc2 62a_100000728582_100000210019 [1,1,0,0,0,0|2,0,0]=4 482 B15R2.31 Nc1cccc(n1)Sc2ccccc2 62a_100000719477_100000740741 [1,1,0,0,0,0|2,0,0]=4 483 B15R2.31 Nc1cccc(n1)Sc2ccccc2 62a_100000740741_100000041952 [1,1,0,0,0,0|2,0,0]=4 484 B15R2.31 Nc1ccnc(c1)Sc2ccccc2 62a_100000719477_100009814236 [1,1,0,0,0,0|2,0,0]=4 485 B15R2.31 Nc1ccnc(c1)Sc2ccccc2 62a_100009814236_100000041952 [1,1,0,0,0,0|2,0,0]=4 486 B15R2.31 Nc1cncc(c1)Sc2ccccc2 62a_100000687067_100000041952 [1,1,0,0,0,0|2,0,0]=4 487 B15R2.31 Nc1cncc(c1)Sc2ccccc2 62a_100000719477_100000687067 [1,1,0,0,0,0|2,0,0]=4 488 B15R2.31 O=c1cc(cc[nH]1)Nc2ccccc2 27a_100000106764_100000061649 [1,1,0,0,0,0|2,0,0]=4 489 B15R2.31 O=c1cc(cc[nH]1)Sc2ccccc2 62a_100000719477_100009816521 [1,1,0,0,0,0|2,0,0]=4 490 B15R2.31 O=c1cc(cc[nH]1)Sc2ccccc2 62a_100009816521_100000041952 [1,1,0,0,0,0|2,0,0]=4 491 B15R2.31 O=c1cc[nH]c(c1)Sc2ccccc2 62a_100009817434_100000041952 [1,1,0,0,0,0|2,0,0]=4 492 B15R2.31 O=c1cccc([nH]1)Sc2ccccc2 62a_100000719477_100000752884 [1,1,0,0,0,0|2,0,0]=4 493 B15R2.31 Oc1ccc[n+](c1)Cc2ccccc2 271570a_203496583355_200009812568 [1,1,0,0,0,0|1,0,1]=4 494 B15R2.31 Oc1cccc(c1)Nc2ccccc2 271570a_203496583355_100000701362 [1,1,0,0,0,0|1,0,0]=3 495 B15R2.31 Oc1cccc(c1)Oc2ccccc2 271570a_203496583355_100009814285 [1,1,0,0,0,0|1,0,0]=3 496 B15R2.31 Oc1cccc(c1)Oc2ccccn2 271570a_203496583355_200000173466 [1,1,0,0,0,0|2,0,0]=4 497 B15R2.31 Oc1cccc(c1)Sc2ccccc2 62a_100000719477_100000211634 [1,1,0,0,0,0|1,0,0]=3 498 B15R2.31 Oc1cccc(c1)Sc2ccccn2 62a_100011216584_100000211634 [1,1,0,0,0,0|2,0,0]=4 499 B15R2.31 Oc1cccc(c1)Sc2cccnc2 62a_100000210063_100000211634 [1,1,0,0,0,0|2,0,0]=4 500 B15R2.31 Oc1cccc(c1)Sc2ccncc2 62a_100000728582_100000211634 [1,1,0,0,0,0|2,0,0]=4 501 B15R2.31 Oc1cccc(n1)Oc2ccccc2 271570a_203496583355_100011960278 [1,1,0,0,0,0|2,0,0]=4 502 B15R2.31 Oc1ccnc(c1)Sc2ccccc2 62a_100000719477_100000762945 [1,1,0,0,0,0|2,0,0]=4 503 B15R2.31 Oc1cncc(c1)Cc2ccccc2 271570a_203496583355_200010295753 [1,1,0,0,0,0|1,0,1]=4 504 B15R2.31 Oc1cncc(c1)Oc2ccccc2 271570a_203496583355_100012359384 [1,1,0,0,0,0|2,0,0]=4 505 B15R2.31 Oc1cncc(c1)Sc2ccccc2 62a_100000719477_100000754920 [1,1,0,0,0,0|2,0,0]=4 506 B15R2.31 Oc1cncc(c1)Sc2ccccc2 62a_100000754920_100000041952 [1,1,0,0,0,0|2,0,0]=4 507 B15R2.31 [O-][n+]1cccc(c1)Sc2ccccc2 62a_100000719477_100009815978 [1,1,0,0,0,0|2,0,0]=4 508 B15R2.31 [S]c1cccc(c1)Sc2ccccc2 62a_100000719477_114929384022 [1,1,0,0,0,0|1,0,0]=3 509 B15R2.31 [S]c1cccc(c1)Sc2ccccc2 62a_114929384022_100000041952 [1,1,0,0,0,0|1,0,0]=3 510 B15R2.31 [S]c1cccc(c1)Sc2ccccn2 62a_100011216584_114929384022 [1,1,0,0,0,0|2,0,0]=4 511 B15R2.31 [S]c1cccc(c1)Sc2ccccn2 62a_114929384022_100011216584 [1,1,0,0,0,0|2,0,0]=4 512 B15R2.31 [S]c1cccc(c1)Sc2cccnc2 62a_100000210063_114929384022 [1,1,0,0,0,0|2,0,0]=4 513 B15R2.31 [S]c1cccc(c1)Sc2cccnc2 62a_114929384022_100000210063 [1,1,0,0,0,0|2,0,0]=4 514 B15R2.31 [S]c1cccc(c1)Sc2ccncc2 62a_100000728582_114929384022 [1,1,0,0,0,0|2,0,0]=4 515 B15R2.31 [S]c1cccc(c1)Sc2ccncc2 62a_114929384022_100000728582 [1,1,0,0,0,0|2,0,0]=4 516 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000695589_100000041952 [1,1,0,0,0,0|1,0,0]=3 517 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000719477_100000695589 [1,1,0,0,0,0|1,0,0]=3 518 B15R2.38 Brc1ccccc1Sc2ccccn2 62a_100000695589_100011216584 [1,1,0,0,0,0|2,0,0]=4 519 B15R2.38 Brc1ccccc1Sc2ccccn2 62a_100011216584_100000695589 [1,1,0,0,0,0|2,0,0]=4 520 B15R2.38 Brc1ccccc1Sc2cccnc2 62a_100000210063_100000695589 [1,1,0,0,0,0|2,0,0]=4 521 B15R2.38 Brc1ccccc1Sc2cccnc2 62a_100000695589_100000210063 [1,1,0,0,0,0|2,0,0]=4 522 B15R2.38 Brc1ccccc1Sc2ccncc2 62a_100000695589_100000728582 [1,1,0,0,0,0|2,0,0]=4 523 B15R2.38 Brc1ccccc1Sc2ccncc2 62a_100000728582_100000695589 [1,1,0,0,0,0|2,0,0]=4 524 B15R2.38 Brc1cccnc1Nc2ccccc2 27a_100000106764_100000696092 [1,1,0,0,0,0|2,0,0]=4 525 B15R2.38 Brc1cccnc1Sc2ccccc2 62a_100000696092_100000041952 [1,1,0,0,0,0|2,0,0]=4 526 B15R2.38 Brc1cccnc1Sc2ccccc2 62a_100000719477_100000696092 [1,1,0,0,0,0|2,0,0]=4 527 B15R2.38 Brc1ccncc1Sc2ccccc2 62a_100000719477_100010138639 [1,1,0,0,0,0|2,0,0]=4 528 B15R2.38 Brc1ccncc1Sc2ccccc2 62a_100010138639_100000041952 [1,1,0,0,0,0|2,0,0]=4 529 B15R2.38 Brc1cnccc1Nc2ccccc2 27a_100000106764_100000726257 [1,1,0,0,0,0|2,0,0]=4 530 B15R2.38 Brc1cnccc1Sc2ccccc2 62a_100000719477_100000726257 [1,1,0,0,0,0|2,0,0]=4 531 B15R2.38 Brc1cnccc1Sc2ccccc2 62a_100000726257_100000041952 [1,1,0,0,0,0|2,0,0]=4 532 B15R2.38 Brc1ncccc1Sc2ccccc2 62a_100000719477_100010202626 [1,1,0,0,0,0|2,0,0]=4 533 B15R2.38 Brc1ncccc1Sc2ccccc2 62a_100010202626_100000041952 [1,1,0,0,0,0|2,0,0]=4 534 B15R2.38 C[n+]1ccccc1Sc2ccccc2 62a_100000719477_100000212160 [1,1,0,0,0,0|2,0,0]=4 535 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000210755_100000041952 [1,1,0,0,0,0|1,0,0]=3 536 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000719477_100000210755 [1,1,0,0,0,0|1,0,0]=3 537 B15R2.38 Cc1ccccc1Sc2ccccn2 62a_100000210755_100011216584 [1,1,0,0,0,0|2,0,0]=4 538 B15R2.38 Cc1ccccc1Sc2ccccn2 62a_100011216584_100000210755 [1,1,0,0,0,0|2,0,0]=4 539 B15R2.38 Cc1ccccc1Sc2cccnc2 62a_100000210063_100000210755 [1,1,0,0,0,0|2,0,0]=4 540 B15R2.38 Cc1ccccc1Sc2cccnc2 62a_100000210755_100000210063 [1,1,0,0,0,0|2,0,0]=4 541 B15R2.38 Cc1ccccc1Sc2ccncc2 62a_100000210755_100000728582 [1,1,0,0,0,0|2,0,0]=4 542 B15R2.38 Cc1ccccc1Sc2ccncc2 62a_100000728582_100000210755 [1,1,0,0,0,0|2,0,0]=4 543 B15R2.38 Cc1cccnc1Sc2ccccc2 62a_100000719477_100000751373 [1,1,0,0,0,0|2,0,0]=4 544 B15R2.38 Cc1cccnc1Sc2ccccc2 62a_100000751373_100000041952 [1,1,0,0,0,0|2,0,0]=4 545 B15R2.38 Cc1ccncc1Sc2ccccc2 62a_100000719477_100000761580 [1,1,0,0,0,0|2,0,0]=4 546 B15R2.38 Cc1ccncc1Sc2ccccc2 62a_100000761580_100000041952 [1,1,0,0,0,0|2,0,0]=4 547 B15R2.38 Cc1cnccc1Nc2ccccc2 27a_100000106764_100000765111 [1,1,0,0,0,0|2,0,0]=4 548 B15R2.38 Cc1cnccc1Sc2ccccc2 62a_100000719477_100000765111 [1,1,0,0,0,0|2,0,0]=4 549 B15R2.38 Cc1cnccc1Sc2ccccc2 62a_100000765111_100000041952 [1,1,0,0,0,0|2,0,0]=4 550 B15R2.38 Cc1ncccc1Sc2ccccc2 62a_100000719477_100000751574 [1,1,0,0,0,0|2,0,0]=4 551 B15R2.38 Cc1ncccc1Sc2ccccc2 62a_100000751574_100000041952 [1,1,0,0,0,0|2,0,0]=4 552 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000719477_100000764095 [1,1,0,0,0,0|1,0,0]=3 553 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000764095_100000041952 [1,1,0,0,0,0|1,0,0]=3 554 B15R2.38 Clc1ccccc1Sc2ccccn2 62a_100000764095_100011216584 [1,1,0,0,0,0|2,0,0]=4 555 B15R2.38 Clc1ccccc1Sc2ccccn2 62a_100011216584_100000764095 [1,1,0,0,0,0|2,0,0]=4 556 B15R2.38 Clc1ccccc1Sc2cccnc2 62a_100000210063_100000764095 [1,1,0,0,0,0|2,0,0]=4 557 B15R2.38 Clc1ccccc1Sc2cccnc2 62a_100000764095_100000210063 [1,1,0,0,0,0|2,0,0]=4 558 B15R2.38 Clc1ccccc1Sc2ccncc2 62a_100000728582_100000764095 [1,1,0,0,0,0|2,0,0]=4 559 B15R2.38 Clc1ccccc1Sc2ccncc2 62a_100000764095_100000728582 [1,1,0,0,0,0|2,0,0]=4 560 B15R2.38 Clc1cccnc1Sc2ccccc2 62a_100000719477_100011356963 [1,1,0,0,0,0|2,0,0]=4 561 B15R2.38 Clc1cccnc1Sc2ccccc2 62a_100011356963_100000041952 [1,1,0,0,0,0|2,0,0]=4 562 B15R2.38 Clc1ccncc1Sc2ccccc2 62a_100000719477_100009995489 [1,1,0,0,0,0|2,0,0]=4 563 B15R2.38 Clc1ccncc1Sc2ccccc2 62a_100009995489_100000041952 [1,1,0,0,0,0|2,0,0]=4 564 B15R2.38 Clc1cnccc1Sc2ccccc2 62a_100000708259_100000041952 [1,1,0,0,0,0|2,0,0]=4 565 B15R2.38 Clc1cnccc1Sc2ccccc2 62a_100000719477_100000708259 [1,1,0,0,0,0|2,0,0]=4 566 B15R2.38 Clc1ncccc1Sc2ccccc2 62a_100000036424_100000041952 [1,1,0,0,0,0|2,0,0]=4 567 B15R2.38 Clc1ncccc1Sc2ccccc2 62a_100000719477_100000036424 [1,1,0,0,0,0|2,0,0]=4 568 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100000719477_100011215700 [1,1,0,0,0,0|1,0,0]=3 569 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100011215700_100000041952 [1,1,0,0,0,0|1,0,0]=3 570 B15R2.38 Fc1ccccc1Sc2ccccn2 62a_100011215700_100011216584 [1,1,0,0,0,0|2,0,0]=4 571 B15R2.38 Fc1ccccc1Sc2ccccn2 62a_100011216584_100011215700 [1,1,0,0,0,0|2,0,0]=4 572 B15R2.38 Fc1ccccc1Sc2cccnc2 62a_100000210063_100011215700 [1,1,0,0,0,0|2,0,0]=4 573 B15R2.38 Fc1ccccc1Sc2cccnc2 62a_100011215700_100000210063 [1,1,0,0,0,0|2,0,0]=4 574 B15R2.38 Fc1ccccc1Sc2ccncc2 62a_100000728582_100011215700 [1,1,0,0,0,0|2,0,0]=4 575 B15R2.38 Fc1ccccc1Sc2ccncc2 62a_100011215700_100000728582 [1,1,0,0,0,0|2,0,0]=4 576 B15R2.38 Fc1cccnc1Sc2ccccc2 62a_100000685392_100000041952 [1,1,0,0,0,0|2,0,0]=4 577 B15R2.38 Fc1cccnc1Sc2ccccc2 62a_100000719477_100000685392 [1,1,0,0,0,0|2,0,0]=4 578 B15R2.38 Fc1ccncc1Sc2ccccc2 62a_100000719477_100009820683 [1,1,0,0,0,0|2,0,0]=4 579 B15R2.38 Fc1ccncc1Sc2ccccc2 62a_100009820683_100000041952 [1,1,0,0,0,0|2,0,0]=4 580 B15R2.38 Fc1cnccc1Nc2ccccc2 27a_100000106764_100000035921 [1,1,0,0,0,0|2,0,0]=4 581 B15R2.38 Fc1cnccc1Sc2ccccc2 62a_100000047030_100000041952 [1,1,0,0,0,0|2,0,0]=4 582 B15R2.38 Fc1cnccc1Sc2ccccc2 62a_100000719477_100000047030 [1,1,0,0,0,0|2,0,0]=4 583 B15R2.38 Fc1ncccc1Sc2ccccc2 62a_100000719477_100009816115 [1,1,0,0,0,0|2,0,0]=4 584 B15R2.38 Fc1ncccc1Sc2ccccc2 62a_100009816115_100000041952 [1,1,0,0,0,0|2,0,0]=4 585 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000210017_100000041952 [1,1,0,0,0,0|1,0,0]=3 586 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000719477_100000210017 [1,1,0,0,0,0|1,0,0]=3 587 B15R2.38 Nc1ccccc1Sc2ccccn2 62a_100000210017_100011216584 [1,1,0,0,0,0|2,0,0]=4 588 B15R2.38 Nc1ccccc1Sc2ccccn2 62a_100011216584_100000210017 [1,1,0,0,0,0|2,0,0]=4 589 B15R2.38 Nc1ccccc1Sc2cccnc2 62a_100000210017_100000210063 [1,1,0,0,0,0|2,0,0]=4 590 B15R2.38 Nc1ccccc1Sc2cccnc2 62a_100000210063_100000210017 [1,1,0,0,0,0|2,0,0]=4 591 B15R2.38 Nc1ccccc1Sc2ccncc2 62a_100000210017_100000728582 [1,1,0,0,0,0|2,0,0]=4 592 B15R2.38 Nc1ccccc1Sc2ccncc2 62a_100000728582_100000210017 [1,1,0,0,0,0|2,0,0]=4 593 B15R2.38 Nc1cccnc1Sc2ccccc2 62a_100000688686_100000041952 [1,1,0,0,0,0|2,0,0]=4 594 B15R2.38 Nc1cccnc1Sc2ccccc2 62a_100000719477_100000688686 [1,1,0,0,0,0|2,0,0]=4 595 B15R2.38 Nc1ccncc1Sc2ccccc2 62a_100000047001_100000041952 [1,1,0,0,0,0|2,0,0]=4 596 B15R2.38 Nc1ccncc1Sc2ccccc2 62a_100000719477_100000047001 [1,1,0,0,0,0|2,0,0]=4 597 B15R2.38 Nc1cnccc1Sc2ccccc2 62a_100000719477_100000756074 [1,1,0,0,0,0|2,0,0]=4 598 B15R2.38 Nc1cnccc1Sc2ccccc2 62a_100000756074_100000041952 [1,1,0,0,0,0|2,0,0]=4 599 B15R2.38 Nc1ncccc1Sc2ccccc2 62a_100000045569_100000041952 [1,1,0,0,0,0|2,0,0]=4 600 B15R2.38 Nc1ncccc1Sc2ccccc2 62a_100000719477_100000045569 [1,1,0,0,0,0|2,0,0]=4 601 B15R2.38 O=c1cc[nH]cc1Sc2ccccc2 62a_100000719477_100009998708 [1,1,0,0,0,0|2,0,0]=4 602 B15R2.38 O=c1cc[nH]cc1Sc2ccccc2 62a_100009998708_100000041952 [1,1,0,0,0,0|2,0,0]=4 603 B15R2.38 Oc1ccccc1Cc2ccccc2 271570a_203496583355_200011216382 [1,1,0,0,0,0|0,0,1]=3 604 B15R2.38 Oc1ccccc1Oc2ccccc2 271570a_203496583355_100000049502 [1,1,0,0,0,0|1,0,0]=3 605 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000719477_100000739446 [1,1,0,0,0,0|1,0,0]=3 606 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000739446_100000041952 [1,1,0,0,0,0|1,0,0]=3 607 B15R2.38 Oc1ccccc1Sc2ccccn2 62a_100000739446_100011216584 [1,1,0,0,0,0|2,0,0]=4 608 B15R2.38 Oc1ccccc1Sc2ccccn2 62a_100011216584_100000739446 [1,1,0,0,0,0|2,0,0]=4 609 B15R2.38 Oc1ccccc1Sc2cccnc2 62a_100000210063_100000739446 [1,1,0,0,0,0|2,0,0]=4 610 B15R2.38 Oc1ccccc1Sc2cccnc2 62a_100000739446_100000210063 [1,1,0,0,0,0|2,0,0]=4 611 B15R2.38 Oc1ccccc1Sc2ccncc2 62a_100000728582_100000739446 [1,1,0,0,0,0|2,0,0]=4 612 B15R2.38 Oc1ccccc1Sc2ccncc2 62a_100000739446_100000728582 [1,1,0,0,0,0|2,0,0]=4 613 B15R2.38 Oc1cccnc1Sc2ccccc2 62a_100000034122_100000041952 [1,1,0,0,0,0|2,0,0]=4 614 B15R2.38 Oc1cccnc1Sc2ccccc2 62a_100000719477_100000034122 [1,1,0,0,0,0|2,0,0]=4 615 B15R2.38 Oc1cnccc1Sc2ccccc2 62a_100000719477_100009817591 [1,1,0,0,0,0|2,0,0]=4 616 B15R2.38 Oc1cnccc1Sc2ccccc2 62a_100009817591_100000041952 [1,1,0,0,0,0|2,0,0]=4 617 B15R2.38 Oc1ncccc1Sc2ccccc2 62a_100000719477_100000760158 [1,1,0,0,0,0|2,0,0]=4 618 B15R2.38 Oc1ncccc1Sc2ccccc2 62a_100000760158_100000041952 [1,1,0,0,0,0|2,0,0]=4 619 B15R2.38 S=c1cc[nH]cc1Sc2ccccc2 62a_100000719477_200012280681 [1,1,0,0,0,0|2,0,0]=4 620 B15R2.38 S=c1cc[nH]cc1Sc2ccccc2 62a_200012280681_100000041952 [1,1,0,0,0,0|2,0,0]=4 621 B15R2.38 [O-][n+]1ccccc1Sc2ccccc2 62a_100000719477_200000042595 [1,1,0,0,0,0|2,0,0]=4 622 B15R2.91 C=C(c1ccc(cc1)C)c2ccco2 271570a_100010895218_100009814098 [0,1,0,0,1,0|2,0,0]=4 623 B15R2.91 C=C(c1ccc(cc1)C)c2cccs2 271570a_100010895218_100011215356 [0,1,0,0,1,0|2,0,0]=4 624 B15R2.91 C=C(c1ccc(cc1)C)c2ccoc2 271570a_100010895218_100011215275 [0,1,0,0,1,0|2,0,0]=4 625 B15R2.91 C=C(c1ccc(cc1)C)c2ccsc2 271570a_100010895218_100000738268 [0,1,0,0,1,0|2,0,0]=4 626 B15R2.91 C=C(c1ccc(cc1)Cl)c2ccco2 271570a_100010171417_100009814098 [0,1,0,0,1,0|2,0,0]=4 627 B15R2.91 C=C(c1ccc(cc1)Cl)c2cccs2 271570a_100010171417_100011215356 [0,1,0,0,1,0|2,0,0]=4 628 B15R2.91 C=C(c1ccc(cc1)Cl)c2ccoc2 271570a_100010171417_100011215275 [0,1,0,0,1,0|2,0,0]=4 629 B15R2.91 C=C(c1ccc(cc1)Cl)c2ccsc2 271570a_100010171417_100000738268 [0,1,0,0,1,0|2,0,0]=4 630 B15R2.91 C=C(c1ccc(cc1)F)c2ccco2 271570a_100000068270_100009814098 [0,1,0,0,1,0|2,0,0]=4 631 B15R2.91 C=C(c1ccc(cc1)F)c2cccs2 271570a_100000068270_100011215356 [0,1,0,0,1,0|2,0,0]=4 632 B15R2.91 C=C(c1ccc(cc1)F)c2ccoc2 271570a_100000068270_100011215275 [0,1,0,0,1,0|2,0,0]=4 633 B15R2.91 C=C(c1ccc(cc1)F)c2ccsc2 271570a_100000068270_100000738268 [0,1,0,0,1,0|2,0,0]=4 634 B15R2.297 C=C(c1ccccc1)c2cc(cs2)C 271570a_100000068269_100009876951 [0,1,0,0,1,0|2,0,0]=4 635 B15R2.297 C=C(c1ccccc1)c2ccc(s2)Br 271570a_100000068269_100010197418 [0,1,0,0,1,0|2,0,0]=4 636 B15R2.297 C=C(c1ccccc1)c2ccc(s2)C 271570a_100000068269_100000761539 [0,1,0,0,1,0|2,0,0]=4 637 B15R2.297 C=C(c1ccccc1)c2csc(c2)C 271570a_100000068269_100000759034 [0,1,0,0,1,0|2,0,0]=4 638 B15R2.297 O=C(c1ccccc1)c2ccc(s2)O 271570a_203496583355_100011299753 [0,1,0,0,1,0|1,0,0]=3 639 B15R2.395 C=C(c1ccccc1)c2ccsc2C 271570a_100000068269_100000684487 [0,1,0,0,1,0|2,0,0]=4 640 B15R2.395 C=C(c1ccccc1)c2cscc2Br 271570a_100000068269_100010143727 [0,1,0,0,1,0|2,0,0]=4 641 B15R2.395 C=C(c1ccccc1)c2cscc2C 271570a_100000068269_100000759966 [0,1,0,0,1,0|2,0,0]=4 642 B15R2.395 C=C(c1ccccc1)c2sccc2Br 271570a_100000068269_100012361411 [0,1,0,0,1,0|2,0,0]=4 643 B15R2.395 C=C(c1ccccc1)c2sccc2C 271570a_100000068269_100000742657 [0,1,0,0,1,0|2,0,0]=4 644 B15R2.1108 O=C(c1cccc(c1)O)c2cccs2 271570a_203496583355_200011267850 [0,1,0,0,1,0|1,0,0]=3 645 B17R2.162 C=CC(Sc1ccccc1)c2ccccc2 62a_100000719477_200000085779 [0,1,0,0,0,1|1,0,1]=4 646 B17R2.162 C=CC(Sc1ccccc1)c2ccccc2 62a_200000085779_100000041952 [0,1,0,0,0,1|1,0,1]=4 647 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000210202 [0,1,0,0,0,1|2,0,0]=4 648 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 2230a_100000210013_100015291786 [0,1,0,0,0,1|2,0,0]=4 649 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000204670 [0,1,0,0,0,1|2,0,0]=4 650 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 269982a_100000210013_100000211182 [0,1,0,0,0,1|2,0,0]=4 651 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000210202 [0,1,0,0,0,1|2,0,0]=4 652 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 34a_100000210013_100015291786 [0,1,0,0,0,1|2,0,0]=4 653 B17R2.162 CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_200000210301 [0,1,0,0,0,1|1,0,1]=4 654 B17R2.162 COC(Cc1ccccc1)c2ccccc2 34a_100000246494_200000210301 [0,1,0,0,0,1|0,0,2]=4 655 B17R2.162 COC(Cc1ccccc1)c2ccccc2 7a_100000246494_200000210301 [0,1,0,0,0,1|0,0,2]=4 656 B17R2.162 FCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100015361967 [0,1,0,0,0,1|2,0,0]=4 657 B17R2.162 FCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100015361967 [0,1,0,0,0,1|2,0,0]=4 658 B17R2.162 [13CH3]NC(Cc1ccccc1)c2ccccc2 2230a_100025772854_200025704644 [0,1,0,0,0,1|1,0,1]=4 659 B17R2.162 [13CH3]OC(Cc1ccccc1)c2ccccc2 34a_100000246494_200025704644 [0,1,0,0,0,1|0,0,2]=4 660 B17R2.162 [13CH3]OC(Cc1ccccc1)c2ccccc2 7a_100000246494_200025704644 [0,1,0,0,0,1|0,0,2]=4 661 B17R2.192 CC(Nc1ccccc1)c2ccc(cc2)Br 34a_100000106764_100000755118 [0,1,0,0,0,1|1,0,1]=4 662 B17R2.192 CC(Nc1ccccc1)c2ccc(cc2)F 34a_100000106764_100000743420 [0,1,0,0,0,1|1,0,1]=4 663 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)Br 34a_100000210340_100000755118 [0,1,0,0,0,1|1,0,1]=4 664 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)Cl 7a_100000210340_100000684792 [0,1,0,0,0,1|1,0,1]=4 665 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)F 34a_100000210340_100000743420 [0,1,0,0,0,1|1,0,1]=4 666 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)F 7a_100000210340_100000743420 [0,1,0,0,0,1|1,0,1]=4 667 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Br 62a_100000719477_100000755118 [0,1,0,0,0,1|1,0,1]=4 668 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Br 62a_100000755118_100000041952 [0,1,0,0,0,1|1,0,1]=4 669 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Cl 62a_100000684792_100000041952 [0,1,0,0,0,1|1,0,1]=4 670 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Cl 62a_100000719477_100000684792 [0,1,0,0,0,1|1,0,1]=4 671 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)F 62a_100000719477_100000743420 [0,1,0,0,0,1|1,0,1]=4 672 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)F 62a_100000743420_100000041952 [0,1,0,0,0,1|1,0,1]=4 673 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 2230a_100000187040_200000210301 [0,1,0,0,0,1|2,0,0]=4 674 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 2230a_100000219623_100015291786 [0,1,0,0,0,1|2,0,0]=4 675 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000187040_200000210301 [0,1,0,0,0,1|2,0,0]=4 676 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000219623_100000211182 [0,1,0,0,0,1|2,0,0]=4 677 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 34a_100000187040_200000210301 [0,1,0,0,0,1|2,0,0]=4 678 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 34a_100000219623_100015291786 [0,1,0,0,0,1|2,0,0]=4 679 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 2230a_100000187391_200000210301 [0,1,0,0,0,1|2,0,0]=4 680 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 2230a_100020629279_100015291786 [0,1,0,0,0,1|2,0,0]=4 681 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100000187391_200000210301 [0,1,0,0,0,1|2,0,0]=4 682 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100020629279_100000211182 [0,1,0,0,0,1|2,0,0]=4 683 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 34a_100000187391_200000210301 [0,1,0,0,0,1|2,0,0]=4 684 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 34a_100020629279_100015291786 [0,1,0,0,0,1|2,0,0]=4 685 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)F 2230a_100000219829_100015291786 [0,1,0,0,0,1|2,0,0]=4 686 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)F 269982a_100000219829_100000211182 [0,1,0,0,0,1|2,0,0]=4 687 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)F 34a_100000219829_100015291786 [0,1,0,0,0,1|2,0,0]=4 688 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)I 2230a_100000743151_100015291786 [0,1,0,0,0,1|2,0,0]=4 689 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)I 269982a_100000743151_100000211182 [0,1,0,0,0,1|2,0,0]=4 690 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)I 34a_100000743151_100015291786 [0,1,0,0,0,1|2,0,0]=4 691 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 269982a_100000182112_100000211182 [0,1,0,0,0,1|2,0,0]=4 692 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 269982a_200000188756_200000210301 [0,1,0,0,0,1|2,0,0]=4 693 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 34a_100000182112_100015291786 [0,1,0,0,0,1|2,0,0]=4 694 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 34a_200000188756_200000210301 [0,1,0,0,0,1|2,0,0]=4 695 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccccc2 1458a_100000188618_100015291786 [0,1,0,0,0,1|0,0,0]=2 696 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccccn2 1458a_100000188618_100000721315 [0,1,0,0,0,1|1,0,0]=3 697 B17R2.192 Cc1ccc(cc1)C(=O)Cc2cccnc2 1458a_100000188618_100000733263 [0,1,0,0,0,1|1,0,0]=3 698 B17R2.192 Cc1ccc(cc1)C(=O)Cc2cccnn2 1458a_100000188618_100016990269 [0,1,0,0,0,1|2,0,0]=4 699 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccncc2 1458a_100000188618_100000705612 [0,1,0,0,0,1|1,0,0]=3 700 B17R2.192 Cc1ccc(cc1)C(=O)Cc2cnccn2 1458a_100000188618_100016995436 [0,1,0,0,0,1|2,0,0]=4 701 B17R2.192 Cc1ccc(cc1)C(=O)Cc2cncnc2 1458a_100000188618_100015196519 [0,1,0,0,0,1|2,0,0]=4 702 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ncccn2 1458a_100000188618_100000703007 [0,1,0,0,0,1|2,0,0]=4 703 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 11a_100000106764_100000188618 [0,1,0,0,0,1|0,0,0]=2 704 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 1626a_100000106764_100000188618 [0,1,0,0,0,1|0,0,0]=2 705 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 22a_100000106764_100000188618 [0,1,0,0,0,1|0,0,0]=2 706 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 527a_100000106764_100000188618 [0,1,0,0,0,1|0,0,0]=2 707 B17R2.192 Cc1ccc(cc1)C(C)Nc2ccccc2 34a_100000106764_100011261388 [0,1,0,0,0,1|1,0,1]=4 708 B17R2.192 Cc1ccc(cc1)C(C)Oc2ccccc2 34a_100000210340_100011261388 [0,1,0,0,0,1|1,0,1]=4 709 B17R2.192 Cc1ccc(cc1)C(C)Oc2ccccc2 7a_100000210340_100011261388 [0,1,0,0,0,1|1,0,1]=4 710 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccc2 62a_100000719477_100011261388 [0,1,0,0,0,1|1,0,1]=4 711 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccc2 62a_100011261388_100000041952 [0,1,0,0,0,1|1,0,1]=4 712 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 2230a_100000185259_200000210301 [0,1,0,0,0,1|2,0,0]=4 713 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 2230a_100000219977_100015291786 [0,1,0,0,0,1|2,0,0]=4 714 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 269982a_100000185259_200000210301 [0,1,0,0,0,1|2,0,0]=4 715 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 269982a_100000219977_100000211182 [0,1,0,0,0,1|2,0,0]=4 716 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 34a_100000185259_200000210301 [0,1,0,0,0,1|2,0,0]=4 717 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 34a_100000219977_100015291786 [0,1,0,0,0,1|2,0,0]=4 718 B17R2.192 Cc1ccc(cc1)N([13CH3])Cc2ccccc2 2230a_100000185259_200025704644 [0,1,0,0,0,1|2,0,0]=4 719 B17R2.192 Cc1ccc(cc1)N([13CH3])Cc2ccccc2 269982a_100000185259_200025704644 [0,1,0,0,0,1|2,0,0]=4 720 B17R2.192 Cc1ccc(cc1)N([13CH3])Cc2ccccc2 34a_100000185259_200025704644 [0,1,0,0,0,1|2,0,0]=4 721 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)Br 1458a_100000185839_100015291786 [0,1,0,0,0,1|0,0,0]=2 722 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)Cl 1458a_100000210187_100015291786 [0,1,0,0,0,1|0,0,0]=2 723 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)F 1458a_100000187176_100015291786 [0,1,0,0,0,1|0,0,0]=2 724 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)I 1458a_100000187904_100015291786 [0,1,0,0,0,1|0,0,0]=2 725 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)O 1458a_100000212099_100015291786 [0,1,0,0,0,1|0,0,0]=2 726 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)O 271570a_203496583355_100000185893 [0,1,0,0,0,1|0,0,0]=2 727 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)Br 1458a_100000185839_100000721315 [0,1,0,0,0,1|1,0,0]=3 728 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)Cl 1458a_100000210187_100000721315 [0,1,0,0,0,1|1,0,0]=3 729 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)F 1458a_100000187176_100000721315 [0,1,0,0,0,1|1,0,0]=3 730 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)I 1458a_100000187904_100000721315 [0,1,0,0,0,1|1,0,0]=3 731 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)O 1458a_100000212099_100000721315 [0,1,0,0,0,1|1,0,0]=3 732 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)Br 1458a_100000185839_100000733263 [0,1,0,0,0,1|1,0,0]=3 733 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)Cl 1458a_100000210187_100000733263 [0,1,0,0,0,1|1,0,0]=3 734 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)F 1458a_100000187176_100000733263 [0,1,0,0,0,1|1,0,0]=3 735 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)I 1458a_100000187904_100000733263 [0,1,0,0,0,1|1,0,0]=3 736 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)O 1458a_100000212099_100000733263 [0,1,0,0,0,1|1,0,0]=3 737 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)Br 1458a_100000185839_100016990269 [0,1,0,0,0,1|2,0,0]=4 738 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)Cl 1458a_100000210187_100016990269 [0,1,0,0,0,1|2,0,0]=4 739 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)F 1458a_100000187176_100016990269 [0,1,0,0,0,1|2,0,0]=4 740 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)I 1458a_100000187904_100016990269 [0,1,0,0,0,1|2,0,0]=4 741 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)O 1458a_100000212099_100016990269 [0,1,0,0,0,1|2,0,0]=4 742 B17R2.192 O=C(Cc1ccncc1)c2ccc(cc2)Br 1458a_100000185839_100000705612 [0,1,0,0,0,1|1,0,0]=3 743 B17R2.192 O=C(Cc1ccncc1)c2ccc(cc2)Cl 1458a_100000210187_100000705612 [0,1,0,0,0,1|1,0,0]=3 744 B17R2.192 O=C(Cc1ccncc1)c2ccc(cc2)F 1458a_100000187176_100000705612 [0,1,0,0,0,1|1,0,0]=3 745 B17R2.192 O=C(Cc1ccncc1)c2ccc(cc2)I 1458a_100000187904_100000705612 [0,1,0,0,0,1|1,0,0]=3 746 B17R2.192 O=C(Cc1ccncc1)c2ccc(cc2)O 1458a_100000212099_100000705612 [0,1,0,0,0,1|1,0,0]=3 747 B17R2.192 O=C(Cc1ccncc1)c2ccc(cc2)O 271570a_203496583355_200012308494 [0,1,0,0,0,1|1,0,0]=3 748 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)Br 1458a_100000185839_100016995436 [0,1,0,0,0,1|2,0,0]=4 749 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)Cl 1458a_100000210187_100016995436 [0,1,0,0,0,1|2,0,0]=4 750 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)F 1458a_100000187176_100016995436 [0,1,0,0,0,1|2,0,0]=4 751 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)I 1458a_100000187904_100016995436 [0,1,0,0,0,1|2,0,0]=4 752 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)O 1458a_100000212099_100016995436 [0,1,0,0,0,1|2,0,0]=4 753 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)Br 1458a_100000185839_100015196519 [0,1,0,0,0,1|2,0,0]=4 754 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)Cl 1458a_100000210187_100015196519 [0,1,0,0,0,1|2,0,0]=4 755 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)F 1458a_100000187176_100015196519 [0,1,0,0,0,1|2,0,0]=4 756 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)I 1458a_100000187904_100015196519 [0,1,0,0,0,1|2,0,0]=4 757 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)O 1458a_100000212099_100015196519 [0,1,0,0,0,1|2,0,0]=4 758 B17R2.192 O=C(Cc1ncccn1)c2ccc(cc2)Br 1458a_100000185839_100000703007 [0,1,0,0,0,1|2,0,0]=4 759 B17R2.192 O=C(Cc1ncccn1)c2ccc(cc2)Cl 1458a_100000210187_100000703007 [0,1,0,0,0,1|2,0,0]=4 760 B17R2.192 O=C(Cc1ncccn1)c2ccc(cc2)F 1458a_100000187176_100000703007 [0,1,0,0,0,1|2,0,0]=4 761 B17R2.192 O=C(Cc1ncccn1)c2ccc(cc2)I 1458a_100000187904_100000703007 [0,1,0,0,0,1|2,0,0]=4 762 B17R2.192 O=C(Cc1ncccn1)c2ccc(cc2)O 1458a_100000212099_100000703007 [0,1,0,0,0,1|2,0,0]=4 763 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 11a_100000106764_100000185839 [0,1,0,0,0,1|0,0,0]=2 764 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 1626a_100000106764_100000185839 [0,1,0,0,0,1|0,0,0]=2 765 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 22a_100000106764_100000185839 [0,1,0,0,0,1|0,0,0]=2 766 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 527a_100000106764_100000185839 [0,1,0,0,0,1|0,0,0]=2 767 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 11a_100000106764_100000210187 [0,1,0,0,0,1|0,0,0]=2 768 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 1626a_100000106764_100000210187 [0,1,0,0,0,1|0,0,0]=2 769 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 22a_100000106764_100000210187 [0,1,0,0,0,1|0,0,0]=2 770 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 527a_100000106764_100000210187 [0,1,0,0,0,1|0,0,0]=2 771 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 11a_100000106764_100000187176 [0,1,0,0,0,1|0,0,0]=2 772 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 1626a_100000106764_100000187176 [0,1,0,0,0,1|0,0,0]=2 773 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 22a_100000106764_100000187176 [0,1,0,0,0,1|0,0,0]=2 774 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 527a_100000106764_100000187176 [0,1,0,0,0,1|0,0,0]=2 775 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 11a_100000106764_100000187904 [0,1,0,0,0,1|0,0,0]=2 776 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 1626a_100000106764_100000187904 [0,1,0,0,0,1|0,0,0]=2 777 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 22a_100000106764_100000187904 [0,1,0,0,0,1|0,0,0]=2 778 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 527a_100000106764_100000187904 [0,1,0,0,0,1|0,0,0]=2 779 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 22a_100000106764_100000212099 [0,1,0,0,0,1|0,0,0]=2 780 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 271570a_203496583355_200000153473 [0,1,0,0,0,1|0,0,0]=2 781 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 527a_100000106764_100000212099 [0,1,0,0,0,1|0,0,0]=2 782 B17R2.192 O=C(Oc1ccccc1)c2ccc(cc2)O 271570a_203496583355_100029575162 [0,1,0,0,0,1|0,0,0]=2 783 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Br 2230a_100000187040_200025704644 [0,1,0,0,0,1|2,0,0]=4 784 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000187040_200025704644 [0,1,0,0,0,1|2,0,0]=4 785 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Br 34a_100000187040_200025704644 [0,1,0,0,0,1|2,0,0]=4 786 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Cl 2230a_100000187391_200025704644 [0,1,0,0,0,1|2,0,0]=4 787 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100000187391_200025704644 [0,1,0,0,0,1|2,0,0]=4 788 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Cl 34a_100000187391_200025704644 [0,1,0,0,0,1|2,0,0]=4 789 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)O 269982a_200000188756_200025704644 [0,1,0,0,0,1|2,0,0]=4 790 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)O 34a_200000188756_200025704644 [0,1,0,0,0,1|2,0,0]=4 791 B17R2.209 CC(Cc1ccc(cc1)Br)c2ccccc2 271570a_100000062452_100000752885 [0,1,0,0,0,1|1,0,1]=4 792 B17R2.209 CC(Cc1ccc(cc1)Cl)c2ccccc2 271570a_100000062452_100000755918 [0,1,0,0,0,1|1,0,1]=4 793 B17R2.209 CC(Cc1ccc(cc1)F)c2ccccc2 271570a_100000062452_100000211213 [0,1,0,0,0,1|1,0,1]=4 794 B17R2.209 CC(Cc1ccc(cc1)N)c2ccccc2 271570a_100000062452_100000185761 [0,1,0,0,0,1|1,0,1]=4 795 B17R2.209 CC(Cc1ccc(cc1)O)c2ccccc2 271570a_100000062452_100000185759 [0,1,0,0,0,1|1,0,1]=4 796 B17R2.209 CC(Nc1ccc(cc1)Br)c2ccccc2 2230a_100000210018_100000230085 [0,1,0,0,0,1|1,0,1]=4 797 B17R2.209 CC(Nc1ccc(cc1)Br)c2ccccc2 34a_100000210018_100000211855 [0,1,0,0,0,1|1,0,1]=4 798 B17R2.209 CC(Nc1ccc(cc1)Cl)c2ccccc2 2230a_100000210052_100000230085 [0,1,0,0,0,1|1,0,1]=4 799 B17R2.209 CC(Nc1ccc(cc1)Cl)c2ccccc2 34a_100000210052_100000211855 [0,1,0,0,0,1|1,0,1]=4 800 B17R2.209 CC(Nc1ccc(cc1)F)c2ccccc2 34a_100000185862_100000211855 [0,1,0,0,0,1|1,0,1]=4 801 B17R2.209 CC(Nc1ccc(cc1)I)c2ccccc2 34a_100000185761_100000211855 [0,1,0,0,0,1|1,0,1]=4 802 B17R2.209 CC(Nc1ccc(cc1)O)c2ccccc2 34a_100000185829_100000211855 [0,1,0,0,0,1|1,0,1]=4 803 B17R2.209 CC(Oc1ccc(cc1)Br)c2ccccc2 34a_100000185759_100000211855 [0,1,0,0,0,1|1,0,1]=4 804 B17R2.209 CC(Oc1ccc(cc1)Br)c2ccccc2 7a_100000185759_100000230085 [0,1,0,0,0,1|1,0,1]=4 805 B17R2.209 CC(Oc1ccc(cc1)Cl)c2ccccc2 34a_100000210216_100000211855 [0,1,0,0,0,1|1,0,1]=4 806 B17R2.209 CC(Oc1ccc(cc1)Cl)c2ccccc2 7a_100000210216_100000230085 [0,1,0,0,0,1|1,0,1]=4 807 B17R2.209 CC(Oc1ccc(cc1)F)c2ccccc2 34a_100000210339_100000211855 [0,1,0,0,0,1|1,0,1]=4 808 B17R2.209 CC(Oc1ccc(cc1)I)c2ccccc2 34a_100000212066_100000211855 [0,1,0,0,0,1|1,0,1]=4 809 B17R2.209 CC(Oc1ccc(cc1)I)c2ccccc2 7a_100000212066_100000230085 [0,1,0,0,0,1|1,0,1]=4 810 B17R2.209 CC(Oc1ccc(cc1)N)c2ccccc2 34a_100000185829_100000211855 [0,1,0,0,0,1|1,0,1]=4 811 B17R2.209 CC(Sc1ccc(cc1)Br)c2ccccc2 62a_100000230085_100000752885 [0,1,0,0,0,1|1,0,1]=4 812 B17R2.209 CC(Sc1ccc(cc1)Br)c2ccccc2 62a_100000752885_100000230085 [0,1,0,0,0,1|1,0,1]=4 813 B17R2.209 CC(Sc1ccc(cc1)Cl)c2ccccc2 62a_100000230085_100000755918 [0,1,0,0,0,1|1,0,1]=4 814 B17R2.209 CC(Sc1ccc(cc1)Cl)c2ccccc2 62a_100000755918_100000230085 [0,1,0,0,0,1|1,0,1]=4 815 B17R2.209 CC(Sc1ccc(cc1)F)c2ccccc2 62a_100000211213_100000230085 [0,1,0,0,0,1|1,0,1]=4 816 B17R2.209 CC(Sc1ccc(cc1)F)c2ccccc2 62a_100000230085_100000211213 [0,1,0,0,0,1|1,0,1]=4 817 B17R2.209 CC(Sc1ccc(cc1)N)c2ccccc2 62a_100000185761_100000230085 [0,1,0,0,0,1|1,0,1]=4 818 B17R2.209 CC(Sc1ccc(cc1)N)c2ccccc2 62a_100000230085_100000185761 [0,1,0,0,0,1|1,0,1]=4 819 B17R2.209 CC(Sc1ccc(cc1)O)c2ccccc2 62a_100000230085_100000185759 [0,1,0,0,0,1|1,0,1]=4 820 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 2230a_100000210012_100011217064 [0,1,0,0,0,1|2,0,0]=4 821 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 269982a_100000210012_100011217064 [0,1,0,0,0,1|2,0,0]=4 822 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 34a_100000210012_100000189115 [0,1,0,0,0,1|2,0,0]=4 823 B17R2.209 CN(Cc1ccc(cc1)Cl)c2ccccc2 2230a_100000210012_100000694040 [0,1,0,0,0,1|2,0,0]=4 824 B17R2.209 CN(Cc1ccc(cc1)Cl)c2ccccc2 269982a_100000210012_100000187161 [0,1,0,0,0,1|2,0,0]=4 825 B17R2.209 CN(Cc1ccc(cc1)Cl)c2ccccc2 34a_100000210012_100000694040 [0,1,0,0,0,1|2,0,0]=4 826 B17R2.209 CN(Cc1ccc(cc1)F)c2ccccc2 2230a_100000210012_100000198546 [0,1,0,0,0,1|2,0,0]=4 827 B17R2.209 CN(Cc1ccc(cc1)F)c2ccccc2 269982a_100000210012_100000198546 [0,1,0,0,0,1|2,0,0]=4 828 B17R2.209 CN(Cc1ccc(cc1)F)c2ccccc2 34a_100000210012_100000198546 [0,1,0,0,0,1|2,0,0]=4 829 B17R2.209 CN(Cc1ccc(cc1)I)c2ccccc2 2230a_100000210012_100000189116 [0,1,0,0,0,1|2,0,0]=4 830 B17R2.209 CN(Cc1ccc(cc1)I)c2ccccc2 269982a_100000210012_100000189116 [0,1,0,0,0,1|2,0,0]=4 831 B17R2.209 CN(Cc1ccc(cc1)I)c2ccccc2 34a_100000210012_100000189116 [0,1,0,0,0,1|2,0,0]=4 832 B17R2.209 Cc1ccc(cc1)CC(=O)c2ccccc2 1458a_100000185807_100000210814 [0,1,0,0,0,1|0,0,0]=2 833 B17R2.209 Cc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000186775 [0,1,0,0,0,1|1,0,1]=4 834 B17R2.209 Cc1ccc(cc1)CN(C)c2ccccc2 2230a_100000210012_100000210814 [0,1,0,0,0,1|2,0,0]=4 835 B17R2.209 Cc1ccc(cc1)CN(C)c2ccccc2 269982a_100000210012_100000210814 [0,1,0,0,0,1|2,0,0]=4 836 B17R2.209 Cc1ccc(cc1)CN(C)c2ccccc2 34a_100000210012_100000210814 [0,1,0,0,0,1|2,0,0]=4 837 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 11a_100000124888_100000185807 [0,1,0,0,0,1|0,0,0]=2 838 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 1626a_100000124888_100000185807 [0,1,0,0,0,1|0,0,0]=2 839 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 22a_100000124888_100000185807 [0,1,0,0,0,1|0,0,0]=2 840 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 527a_100000124888_100000185807 [0,1,0,0,0,1|0,0,0]=2 841 B17R2.209 Cc1ccc(cc1)NC(C)c2ccccc2 34a_100000124888_100000211855 [0,1,0,0,0,1|1,0,1]=4 842 B17R2.209 Cc1ccc(cc1)OC(C)c2ccccc2 34a_100000210336_100000211855 [0,1,0,0,0,1|1,0,1]=4 843 B17R2.209 Cc1ccc(cc1)OC(C)c2ccccc2 7a_100000210336_100000230085 [0,1,0,0,0,1|1,0,1]=4 844 B17R2.209 Cc1ccc(cc1)SC(C)c2ccccc2 62a_100000186775_100000230085 [0,1,0,0,0,1|1,0,1]=4 845 B17R2.209 Cc1ccc(cc1)SC(C)c2ccccc2 62a_100000230085_100000186775 [0,1,0,0,0,1|1,0,1]=4 846 B17R2.209 Cc1ccc(cn1)CC(=O)c2ccccc2 1458a_100000185807_100016987292 [0,1,0,0,0,1|1,0,0]=3 847 B17R2.209 Cc1ccc(nc1)CC(=O)c2ccccc2 1458a_100000185807_100000691093 [0,1,0,0,0,1|1,0,0]=3 848 B17R2.209 Cc1cnc(cn1)CC(=O)c2ccccc2 1458a_100000185807_100000752025 [0,1,0,0,0,1|2,0,0]=4 849 B17R2.209 Cc1cnc(nc1)CC(=O)c2ccccc2 1458a_100000185807_100000685645 [0,1,0,0,0,1|2,0,0]=4 850 B17R2.209 O=C(Cc1ccc(cc1)Br)c2ccccc2 1458a_100000185807_100000189115 [0,1,0,0,0,1|0,0,0]=2 851 B17R2.209 O=C(Cc1ccc(cc1)Cl)c2ccccc2 1458a_100000185807_100000694040 [0,1,0,0,0,1|0,0,0]=2 852 B17R2.209 O=C(Cc1ccc(cc1)F)c2ccccc2 1458a_100000185807_100000198546 [0,1,0,0,0,1|0,0,0]=2 853 B17R2.209 O=C(Cc1ccc(cc1)I)c2ccccc2 1458a_100000185807_100000189116 [0,1,0,0,0,1|0,0,0]=2 854 B17R2.209 O=C(Cc1ccc(cc1)O)c2ccccc2 271570a_203496583355_100011267665 [0,1,0,0,0,1|0,0,0]=2 855 B17R2.209 O=C(Cc1ccc(cn1)Br)c2ccccc2 1458a_100000185807_100000702658 [0,1,0,0,0,1|1,0,0]=3 856 B17R2.209 O=C(Cc1ccc(cn1)Cl)c2ccccc2 1458a_100000185807_100012066911 [0,1,0,0,0,1|1,0,0]=3 857 B17R2.209 O=C(Cc1ccc(cn1)F)c2ccccc2 1458a_100000185807_100000703193 [0,1,0,0,0,1|1,0,0]=3 858 B17R2.209 O=C(Cc1ccc(nc1)Br)c2ccccc2 1458a_100000185807_100009831999 [0,1,0,0,0,1|1,0,0]=3 859 B17R2.209 O=C(Cc1ccc(nc1)Cl)c2ccccc2 1458a_100000185807_100000735431 [0,1,0,0,0,1|1,0,0]=3 860 B17R2.209 O=C(Cc1ccc(nc1)F)c2ccccc2 1458a_100000185807_100009820150 [0,1,0,0,0,1|1,0,0]=3 861 B17R2.209 O=C(Cc1ccc(nn1)Cl)c2ccccc2 1458a_100000185807_100016992710 [0,1,0,0,0,1|2,0,0]=4 862 B17R2.209 O=C(Cc1ncc(cn1)Br)c2ccccc2 1458a_100000185807_100010064664 [0,1,0,0,0,1|2,0,0]=4 863 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 11a_100000210018_100000185807 [0,1,0,0,0,1|0,0,0]=2 864 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 1626a_100000210018_100000185807 [0,1,0,0,0,1|0,0,0]=2 865 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 22a_100000210018_100000185807 [0,1,0,0,0,1|0,0,0]=2 866 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 527a_100000210018_100000185807 [0,1,0,0,0,1|0,0,0]=2 867 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 11a_100000210052_100000185807 [0,1,0,0,0,1|0,0,0]=2 868 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 1626a_100000210052_100000185807 [0,1,0,0,0,1|0,0,0]=2 869 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 22a_100000210052_100000185807 [0,1,0,0,0,1|0,0,0]=2 870 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 527a_100000210052_100000185807 [0,1,0,0,0,1|0,0,0]=2 871 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 11a_100000185862_100000185807 [0,1,0,0,0,1|0,0,0]=2 872 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 1626a_100000185862_100000185807 [0,1,0,0,0,1|0,0,0]=2 873 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 22a_100000185862_100000185807 [0,1,0,0,0,1|0,0,0]=2 874 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 527a_100000185862_100000185807 [0,1,0,0,0,1|0,0,0]=2 875 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 11a_100000185761_100000185807 [0,1,0,0,0,1|0,0,0]=2 876 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 1626a_100000185761_100000185807 [0,1,0,0,0,1|0,0,0]=2 877 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 22a_100000185761_100000185807 [0,1,0,0,0,1|0,0,0]=2 878 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 527a_100000185761_100000185807 [0,1,0,0,0,1|0,0,0]=2 879 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccc2 22a_100000185829_100000185807 [0,1,0,0,0,1|0,0,0]=2 880 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccc2 271570a_203496583355_100000155230 [0,1,0,0,0,1|0,0,0]=2 881 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccn2 271570a_203496583355_100000153572 [0,1,0,0,0,1|1,0,0]=3 882 B17R2.3417 CC(Nc1ccccc1)c2ccccc2F 34a_100000106764_200000741388 [0,1,0,0,0,1|1,0,1]=4 883 B17R2.3417 CC(Oc1ccccc1)c2ccccc2Cl 7a_100000210340_100000181259 [0,1,0,0,0,1|1,0,1]=4 884 B17R2.3417 CC(Oc1ccccc1)c2ccccc2F 34a_100000210340_200000741388 [0,1,0,0,0,1|1,0,1]=4 885 B17R2.3417 CC(Oc1ccccc1)c2ccccc2F 7a_100000210340_200000741388 [0,1,0,0,0,1|1,0,1]=4 886 B17R2.3417 CC(Sc1ccccc1)c2ccccc2Cl 62a_100000181259_100000041952 [0,1,0,0,0,1|1,0,1]=4 887 B17R2.3417 CC(Sc1ccccc1)c2ccccc2Cl 62a_100000719477_100000181259 [0,1,0,0,0,1|1,0,1]=4 888 B17R2.3417 CC(Sc1ccccc1)c2ccccc2F 62a_100000719477_200000741388 [0,1,0,0,0,1|1,0,1]=4 889 B17R2.3417 CC(Sc1ccccc1)c2ccccc2F 62a_200000741388_100000041952 [0,1,0,0,0,1|1,0,1]=4 890 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Br 2230a_100020606079_100015291786 [0,1,0,0,0,1|2,0,0]=4 891 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Br 269982a_100020606079_100000211182 [0,1,0,0,0,1|2,0,0]=4 892 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Br 34a_100020606079_100015291786 [0,1,0,0,0,1|2,0,0]=4 893 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Cl 2230a_100000219374_100015291786 [0,1,0,0,0,1|2,0,0]=4 894 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Cl 269982a_100000219374_100000211182 [0,1,0,0,0,1|2,0,0]=4 895 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Cl 34a_100000219374_100015291786 [0,1,0,0,0,1|2,0,0]=4 896 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 2230a_100000220357_100015291786 [0,1,0,0,0,1|2,0,0]=4 897 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 2230a_100025753533_200000210301 [0,1,0,0,0,1|2,0,0]=4 898 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 269982a_100000220357_100000211182 [0,1,0,0,0,1|2,0,0]=4 899 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 269982a_100025753533_200000210301 [0,1,0,0,0,1|2,0,0]=4 900 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 34a_100000220357_100015291786 [0,1,0,0,0,1|2,0,0]=4 901 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 34a_100025753533_200000210301 [0,1,0,0,0,1|2,0,0]=4 902 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 38a_100000220357_100015291786 [0,1,0,0,0,1|2,0,0]=4 903 B17R2.3417 CN(Cc1ccccc1)c2ccccc2O 269982a_100000033821_100000211182 [0,1,0,0,0,1|2,0,0]=4 904 B17R2.3417 Cc1ccccc1C(=O)Cc2ccccc2 1458a_100000212026_100015291786 [0,1,0,0,0,1|0,0,0]=2 905 B17R2.3417 Cc1ccccc1C(=O)Cc2ccccn2 1458a_100000212026_100000721315 [0,1,0,0,0,1|1,0,0]=3 906 B17R2.3417 Cc1ccccc1C(=O)Cc2cccnc2 1458a_100000212026_100000733263 [0,1,0,0,0,1|1,0,0]=3 907 B17R2.3417 Cc1ccccc1C(=O)Cc2cccnn2 1458a_100000212026_100016990269 [0,1,0,0,0,1|2,0,0]=4 908 B17R2.3417 Cc1ccccc1C(=O)Cc2ccncc2 1458a_100000212026_100000705612 [0,1,0,0,0,1|1,0,0]=3 909 B17R2.3417 Cc1ccccc1C(=O)Cc2cnccn2 1458a_100000212026_100016995436 [0,1,0,0,0,1|2,0,0]=4 910 B17R2.3417 Cc1ccccc1C(=O)Cc2cncnc2 1458a_100000212026_100015196519 [0,1,0,0,0,1|2,0,0]=4 911 B17R2.3417 Cc1ccccc1C(=O)Cc2ncccn2 1458a_100000212026_100000703007 [0,1,0,0,0,1|2,0,0]=4 912 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 11a_100000106764_100000212026 [0,1,0,0,0,1|0,0,0]=2 913 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 1626a_100000106764_100000212026 [0,1,0,0,0,1|0,0,0]=2 914 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 22a_100000106764_100000212026 [0,1,0,0,0,1|0,0,0]=2 915 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 527a_100000106764_100000212026 [0,1,0,0,0,1|0,0,0]=2 916 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 2230a_100000219699_100015291786 [0,1,0,0,0,1|2,0,0]=4 917 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 2230a_100102946366_200000210301 [0,1,0,0,0,1|2,0,0]=4 918 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 269982a_100000219699_100000211182 [0,1,0,0,0,1|2,0,0]=4 919 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 269982a_100102946366_200000210301 [0,1,0,0,0,1|2,0,0]=4 920 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 34a_100000219699_100015291786 [0,1,0,0,0,1|2,0,0]=4 921 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 34a_100102946366_200000210301 [0,1,0,0,0,1|2,0,0]=4 922 B17R2.3417 Cc1ccccc1N([13CH3])Cc2ccccc2 2230a_100102946366_200025704644 [0,1,0,0,0,1|2,0,0]=4 923 B17R2.3417 Cc1ccccc1N([13CH3])Cc2ccccc2 269982a_100102946366_200025704644 [0,1,0,0,0,1|2,0,0]=4 924 B17R2.3417 Cc1ccccc1N([13CH3])Cc2ccccc2 34a_100102946366_200025704644 [0,1,0,0,0,1|2,0,0]=4 925 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2Br 1458a_100000188424_100015291786 [0,1,0,0,0,1|0,0,0]=2 926 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2Cl 1458a_100000185844_100015291786 [0,1,0,0,0,1|0,0,0]=2 927 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2F 1458a_100000188656_100015291786 [0,1,0,0,0,1|0,0,0]=2 928 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2I 1458a_100000187884_100015291786 [0,1,0,0,0,1|0,0,0]=2 929 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2O 1458a_100015234032_100015291786 [0,1,0,0,0,1|0,0,0]=2 930 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2[O-] 1458a_100009911694_100015291786 [0,1,0,0,0,1|0,0,0]=2 931 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2Br 1458a_100000188424_100000721315 [0,1,0,0,0,1|1,0,0]=3 932 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2Cl 1458a_100000185844_100000721315 [0,1,0,0,0,1|1,0,0]=3 933 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2F 1458a_100000188656_100000721315 [0,1,0,0,0,1|1,0,0]=3 934 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2I 1458a_100000187884_100000721315 [0,1,0,0,0,1|1,0,0]=3 935 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2O 1458a_100015234032_100000721315 [0,1,0,0,0,1|1,0,0]=3 936 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2[O-] 1458a_100009911694_100000721315 [0,1,0,0,0,1|1,0,0]=3 937 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2Br 1458a_100000188424_100000733263 [0,1,0,0,0,1|1,0,0]=3 938 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2Cl 1458a_100000185844_100000733263 [0,1,0,0,0,1|1,0,0]=3 939 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2F 1458a_100000188656_100000733263 [0,1,0,0,0,1|1,0,0]=3 940 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2I 1458a_100000187884_100000733263 [0,1,0,0,0,1|1,0,0]=3 941 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2O 1458a_100015234032_100000733263 [0,1,0,0,0,1|1,0,0]=3 942 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2[O-] 1458a_100009911694_100000733263 [0,1,0,0,0,1|1,0,0]=3 943 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2Br 1458a_100000188424_100016990269 [0,1,0,0,0,1|2,0,0]=4 944 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2Cl 1458a_100000185844_100016990269 [0,1,0,0,0,1|2,0,0]=4 945 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2F 1458a_100000188656_100016990269 [0,1,0,0,0,1|2,0,0]=4 946 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2I 1458a_100000187884_100016990269 [0,1,0,0,0,1|2,0,0]=4 947 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2O 1458a_100015234032_100016990269 [0,1,0,0,0,1|2,0,0]=4 948 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2[O-] 1458a_100009911694_100016990269 [0,1,0,0,0,1|2,0,0]=4 949 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2Br 1458a_100000188424_100000705612 [0,1,0,0,0,1|1,0,0]=3 950 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2Cl 1458a_100000185844_100000705612 [0,1,0,0,0,1|1,0,0]=3 951 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2F 1458a_100000188656_100000705612 [0,1,0,0,0,1|1,0,0]=3 952 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2I 1458a_100000187884_100000705612 [0,1,0,0,0,1|1,0,0]=3 953 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2O 1458a_100015234032_100000705612 [0,1,0,0,0,1|1,0,0]=3 954 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2[O-] 1458a_100009911694_100000705612 [0,1,0,0,0,1|1,0,0]=3 955 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2Br 1458a_100000188424_100016995436 [0,1,0,0,0,1|2,0,0]=4 956 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2Cl 1458a_100000185844_100016995436 [0,1,0,0,0,1|2,0,0]=4 957 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2F 1458a_100000188656_100016995436 [0,1,0,0,0,1|2,0,0]=4 958 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2I 1458a_100000187884_100016995436 [0,1,0,0,0,1|2,0,0]=4 959 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2O 1458a_100015234032_100016995436 [0,1,0,0,0,1|2,0,0]=4 960 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2[O-] 1458a_100009911694_100016995436 [0,1,0,0,0,1|2,0,0]=4 961 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2Br 1458a_100000188424_100015196519 [0,1,0,0,0,1|2,0,0]=4 962 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2Cl 1458a_100000185844_100015196519 [0,1,0,0,0,1|2,0,0]=4 963 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2F 1458a_100000188656_100015196519 [0,1,0,0,0,1|2,0,0]=4 964 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2I 1458a_100000187884_100015196519 [0,1,0,0,0,1|2,0,0]=4 965 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2O 1458a_100015234032_100015196519 [0,1,0,0,0,1|2,0,0]=4 966 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2[O-] 1458a_100009911694_100015196519 [0,1,0,0,0,1|2,0,0]=4 967 B17R2.3417 O=C(Cc1ncccn1)c2ccccc2Br 1458a_100000188424_100000703007 [0,1,0,0,0,1|2,0,0]=4 968 B17R2.3417 O=C(Cc1ncccn1)c2ccccc2Cl 1458a_100000185844_100000703007 [0,1,0,0,0,1|2,0,0]=4 969 B17R2.3417 O=C(Cc1ncccn1)c2ccccc2F 1458a_100000188656_100000703007 [0,1,0,0,0,1|2,0,0]=4 970 B17R2.3417 O=C(Cc1ncccn1)c2ccccc2I 1458a_100000187884_100000703007 [0,1,0,0,0,1|2,0,0]=4 971 B17R2.3417 O=C(Cc1ncccn1)c2ccccc2O 1458a_100015234032_100000703007 [0,1,0,0,0,1|2,0,0]=4 972 B17R2.3417 O=C(Cc1ncccn1)c2ccccc2[O-] 1458a_100009911694_100000703007 [0,1,0,0,0,1|2,0,0]=4 973 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 11a_100000106764_100000188424 [0,1,0,0,0,1|0,0,0]=2 974 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 1626a_100000106764_100000188424 [0,1,0,0,0,1|0,0,0]=2 975 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 22a_100000106764_100000188424 [0,1,0,0,0,1|0,0,0]=2 976 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 527a_100000106764_100000188424 [0,1,0,0,0,1|0,0,0]=2 977 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 11a_100000106764_100000185844 [0,1,0,0,0,1|0,0,0]=2 978 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 1626a_100000106764_100000185844 [0,1,0,0,0,1|0,0,0]=2 979 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 22a_100000106764_100000185844 [0,1,0,0,0,1|0,0,0]=2 980 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 527a_100000106764_100000185844 [0,1,0,0,0,1|0,0,0]=2 981 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 11a_100000106764_100000188656 [0,1,0,0,0,1|0,0,0]=2 982 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 1626a_100000106764_100000188656 [0,1,0,0,0,1|0,0,0]=2 983 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 22a_100000106764_100000188656 [0,1,0,0,0,1|0,0,0]=2 984 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 527a_100000106764_100000188656 [0,1,0,0,0,1|0,0,0]=2 985 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 11a_100000106764_100000187884 [0,1,0,0,0,1|0,0,0]=2 986 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 1626a_100000106764_100000187884 [0,1,0,0,0,1|0,0,0]=2 987 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 22a_100000106764_100000187884 [0,1,0,0,0,1|0,0,0]=2 988 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 527a_100000106764_100000187884 [0,1,0,0,0,1|0,0,0]=2 989 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2O 22a_100000106764_100015234032 [0,1,0,0,0,1|0,0,0]=2 990 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 1626a_100000106764_100009911694 [0,1,0,0,0,1|0,0,0]=2 991 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 22a_100000106764_100009911694 [0,1,0,0,0,1|0,0,0]=2 992 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 527a_100000106764_100009911694 [0,1,0,0,0,1|0,0,0]=2 993 B17R2.3417 O=C(Nc1ccccc1)c2ccncc2O 271570a_203496583355_200016737083 [0,1,0,0,0,1|1,0,0]=3 994 B17R2.3417 [13CH3]N(Cc1ccccc1)c2ccccc2F 2230a_100025753533_200025704644 [0,1,0,0,0,1|2,0,0]=4 995 B17R2.3417 [13CH3]N(Cc1ccccc1)c2ccccc2F 269982a_100025753533_200025704644 [0,1,0,0,0,1|2,0,0]=4 996 B17R2.3417 [13CH3]N(Cc1ccccc1)c2ccccc2F 34a_100025753533_200025704644 [0,1,0,0,0,1|2,0,0]=4 997 B17R2.3426 CC(Cc1ccccc1Br)c2ccccc2 271570a_100000062452_100000695589 [0,1,0,0,0,1|1,0,1]=4 998 B17R2.3426 CC(Cc1ccccc1Cl)c2ccccc2 271570a_100000062452_100000764095 [0,1,0,0,0,1|1,0,1]=4 999 B17R2.3426 CC(Cc1ccccc1F)c2ccccc2 271570a_100000062452_100011215700 [0,1,0,0,0,1|1,0,1]=4 1000 B17R2.3426 CC(Cc1ccccc1N)c2ccccc2 271570a_100000062452_100000210017 [0,1,0,0,0,1|1,0,1]=4 1001 B17R2.3426 CC(Cc1ccccc1O)c2ccccc2 271570a_100000062452_100000739446 [0,1,0,0,0,1|1,0,1]=4 1002 B17R2.3426 CC(Nc1ccccc1Br)c2ccccc2 34a_100000210017_100000211855 [0,1,0,0,0,1|1,0,1]=4 1003 B17R2.3426 CC(Nc1ccccc1Cl)c2ccccc2 34a_100000185783_100000211855 [0,1,0,0,0,1|1,0,1]=4 1004 B17R2.3426 CC(Nc1ccccc1F)c2ccccc2 34a_100000210422_100000211855 [0,1,0,0,0,1|1,0,1]=4 1005 B17R2.3426 CC(Nc1ccccc1I)c2ccccc2 34a_100000210053_100000211855 [0,1,0,0,0,1|1,0,1]=4 1006 B17R2.3426 CC(Nc1ccccc1O)c2ccccc2 34a_100000185747_100000211855 [0,1,0,0,0,1|1,0,1]=4 1007 B17R2.3426 CC(Oc1ccccc1Br)c2ccccc2 34a_100000181306_100000211855 [0,1,0,0,0,1|1,0,1]=4 1008 B17R2.3426 CC(Oc1ccccc1Br)c2ccccc2 7a_100000181306_100000230085 [0,1,0,0,0,1|1,0,1]=4 1009 B17R2.3426 CC(Oc1ccccc1Cl)c2ccccc2 34a_100000210172_100000211855 [0,1,0,0,0,1|1,0,1]=4 1010 B17R2.3426 CC(Oc1ccccc1Cl)c2ccccc2 7a_100000210172_100000230085 [0,1,0,0,0,1|1,0,1]=4 1011 B17R2.3426 CC(Oc1ccccc1F)c2ccccc2 34a_100000210171_100000211855 [0,1,0,0,0,1|1,0,1]=4 1012 B17R2.3426 CC(Oc1ccccc1F)c2ccccc2 7a_100000210171_100000230085 [0,1,0,0,0,1|1,0,1]=4 1013 B17R2.3426 CC(Oc1ccccc1I)c2ccccc2 34a_100000739446_100000211855 [0,1,0,0,0,1|1,0,1]=4 1014 B17R2.3426 CC(Oc1ccccc1I)c2ccccc2 7a_100000739446_100000230085 [0,1,0,0,0,1|1,0,1]=4 1015 B17R2.3426 CC(Oc1ccccc1N)c2ccccc2 34a_100000185747_100000211855 [0,1,0,0,0,1|1,0,1]=4 1016 B17R2.3426 CC(Oc1ccccc1N)c2ccccc2 7a_100000185747_100000230085 [0,1,0,0,0,1|1,0,1]=4 1017 B17R2.3426 CC(Sc1ccccc1Br)c2ccccc2 62a_100000230085_100000695589 [0,1,0,0,0,1|1,0,1]=4 1018 B17R2.3426 CC(Sc1ccccc1Br)c2ccccc2 62a_100000695589_100000230085 [0,1,0,0,0,1|1,0,1]=4 1019 B17R2.3426 CC(Sc1ccccc1Cl)c2ccccc2 62a_100000230085_100000764095 [0,1,0,0,0,1|1,0,1]=4 1020 B17R2.3426 CC(Sc1ccccc1Cl)c2ccccc2 62a_100000764095_100000230085 [0,1,0,0,0,1|1,0,1]=4 1021 B17R2.3426 CC(Sc1ccccc1F)c2ccccc2 62a_100000230085_100011215700 [0,1,0,0,0,1|1,0,1]=4 1022 B17R2.3426 CC(Sc1ccccc1F)c2ccccc2 62a_100011215700_100000230085 [0,1,0,0,0,1|1,0,1]=4 1023 B17R2.3426 CC(Sc1ccccc1N)c2ccccc2 62a_100000210017_100000230085 [0,1,0,0,0,1|1,0,1]=4 1024 B17R2.3426 CC(Sc1ccccc1N)c2ccccc2 62a_100000230085_100000210017 [0,1,0,0,0,1|1,0,1]=4 1025 B17R2.3426 CC(Sc1ccccc1O)c2ccccc2 62a_100000230085_100000739446 [0,1,0,0,0,1|1,0,1]=4 1026 B17R2.3426 CC(Sc1ccccc1O)c2ccccc2 62a_100000739446_100000230085 [0,1,0,0,0,1|1,0,1]=4 1027 B17R2.3426 CN(Cc1ccccc1Br)c2ccccc2 2230a_100000210012_100000184730 [0,1,0,0,0,1|2,0,0]=4 1028 B17R2.3426 CN(Cc1ccccc1Br)c2ccccc2 269982a_100000210012_100000184730 [0,1,0,0,0,1|2,0,0]=4 1029 B17R2.3426 CN(Cc1ccccc1Br)c2ccccc2 34a_100000210012_100000184730 [0,1,0,0,0,1|2,0,0]=4 1030 B17R2.3426 CN(Cc1ccccc1Cl)c2ccccc2 2230a_100000210012_100000187162 [0,1,0,0,0,1|2,0,0]=4 1031 B17R2.3426 CN(Cc1ccccc1Cl)c2ccccc2 269982a_100000210012_100000187162 [0,1,0,0,0,1|2,0,0]=4 1032 B17R2.3426 CN(Cc1ccccc1Cl)c2ccccc2 34a_100000210012_100000187162 [0,1,0,0,0,1|2,0,0]=4 1033 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 2230a_100000210012_100000211605 [0,1,0,0,0,1|2,0,0]=4 1034 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 2230a_100000224004_200000210301 [0,1,0,0,0,1|2,0,0]=4 1035 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 269982a_100000210012_100000211605 [0,1,0,0,0,1|2,0,0]=4 1036 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 269982a_100000224004_200000210301 [0,1,0,0,0,1|2,0,0]=4 1037 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 34a_100000210012_100000211605 [0,1,0,0,0,1|2,0,0]=4 1038 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 34a_100000224004_200000210301 [0,1,0,0,0,1|2,0,0]=4 1039 B17R2.3426 CN(Cc1ccccc1I)c2ccccc2 2230a_100000210012_100011215278 [0,1,0,0,0,1|2,0,0]=4 1040 B17R2.3426 CN(Cc1ccccc1I)c2ccccc2 269982a_100000210012_100011215278 [0,1,0,0,0,1|2,0,0]=4 1041 B17R2.3426 CN(Cc1ccccc1I)c2ccccc2 34a_100000210012_100011215278 [0,1,0,0,0,1|2,0,0]=4 1042 B17R2.3426 Cc1ccccc1CC(=O)c2ccccc2 1458a_100000185807_100000211839 [0,1,0,0,0,1|0,0,0]=2 1043 B17R2.3426 Cc1ccccc1CC(C)c2ccccc2 271570a_100000062452_100000210755 [0,1,0,0,0,1|1,0,1]=4 1044 B17R2.3426 Cc1ccccc1CN(C)c2ccccc2 2230a_100000210012_100000211839 [0,1,0,0,0,1|2,0,0]=4 1045 B17R2.3426 Cc1ccccc1CN(C)c2ccccc2 269982a_100000210012_100000211839 [0,1,0,0,0,1|2,0,0]=4 1046 B17R2.3426 Cc1ccccc1CN(C)c2ccccc2 34a_100000210012_100000211839 [0,1,0,0,0,1|2,0,0]=4 1047 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 11a_100015192222_100000185807 [0,1,0,0,0,1|0,0,0]=2 1048 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 1626a_100015192222_100000185807 [0,1,0,0,0,1|0,0,0]=2 1049 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 22a_100015192222_100000185807 [0,1,0,0,0,1|0,0,0]=2 1050 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 527a_100015192222_100000185807 [0,1,0,0,0,1|0,0,0]=2 1051 B17R2.3426 Cc1ccccc1NC(C)c2ccccc2 34a_100015192222_100000211855 [0,1,0,0,0,1|1,0,1]=4 1052 B17R2.3426 Cc1ccccc1OC(C)c2ccccc2 34a_100000210338_100000211855 [0,1,0,0,0,1|1,0,1]=4 1053 B17R2.3426 Cc1ccccc1OC(C)c2ccccc2 7a_100000210338_100000230085 [0,1,0,0,0,1|1,0,1]=4 1054 B17R2.3426 Cc1ccccc1SC(C)c2ccccc2 62a_100000210755_100000230085 [0,1,0,0,0,1|1,0,1]=4 1055 B17R2.3426 Cc1ccccc1SC(C)c2ccccc2 62a_100000230085_100000210755 [0,1,0,0,0,1|1,0,1]=4 1056 B17R2.3426 Cc1cccnc1CC(=O)c2ccccc2 1458a_100000185807_100000696600 [0,1,0,0,0,1|1,0,0]=3 1057 B17R2.3426 Cc1ccncc1CC(=O)c2ccccc2 1458a_100000185807_100000690890 [0,1,0,0,0,1|1,0,0]=3 1058 B17R2.3426 Cc1cnccc1CC(=O)c2ccccc2 1458a_100000185807_100020672808 [0,1,0,0,0,1|1,0,0]=3 1059 B17R2.3426 Cc1ncccc1CC(=O)c2ccccc2 1458a_100000185807_100000732876 [0,1,0,0,0,1|1,0,0]=3 1060 B17R2.3426 O=C(Cc1ccccc1Br)c2ccccc2 1458a_100000185807_100000184730 [0,1,0,0,0,1|0,0,0]=2 1061 B17R2.3426 O=C(Cc1ccccc1Cl)c2ccccc2 1458a_100000185807_100000187162 [0,1,0,0,0,1|0,0,0]=2 1062 B17R2.3426 O=C(Cc1ccccc1F)c2ccccc2 1458a_100000185807_100000187165 [0,1,0,0,0,1|0,0,0]=2 1063 B17R2.3426 O=C(Cc1ccccc1I)c2ccccc2 1458a_100000185807_100011216222 [0,1,0,0,0,1|0,0,0]=2 1064 B17R2.3426 O=C(Cc1cccnc1Br)c2ccccc2 1458a_100000185807_100010140945 [0,1,0,0,0,1|1,0,0]=3 1065 B17R2.3426 O=C(Cc1cccnc1Cl)c2ccccc2 1458a_100000185807_100000045678 [0,1,0,0,0,1|1,0,0]=3 1066 B17R2.3426 O=C(Cc1cccnc1F)c2ccccc2 1458a_100000185807_100000099810 [0,1,0,0,0,1|1,0,0]=3 1067 B17R2.3426 O=C(Cc1ccncc1Cl)c2ccccc2 1458a_100000185807_100000763264 [0,1,0,0,0,1|1,0,0]=3 1068 B17R2.3426 O=C(Cc1ncccc1Br)c2ccccc2 1458a_100000185807_100025702911 [0,1,0,0,0,1|1,0,0]=3 1069 B17R2.3426 O=C(Cc1ncccc1Cl)c2ccccc2 1458a_100000185807_100000099807 [0,1,0,0,0,1|1,0,0]=3 1070 B17R2.3426 O=C(Cc1ncccc1F)c2ccccc2 1458a_100000185807_100000104219 [0,1,0,0,0,1|1,0,0]=3 1071 B17R2.3426 O=C(Cc1ncccc1O)c2ccccc2 1458a_100000185807_200020655725 [0,1,0,0,0,1|1,0,0]=3 1072 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 11a_100000210017_100000185807 [0,1,0,0,0,1|0,0,0]=2 1073 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 1626a_100000210017_100000185807 [0,1,0,0,0,1|0,0,0]=2 1074 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 11a_100000185783_100000185807 [0,1,0,0,0,1|0,0,0]=2 1075 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 1626a_100000185783_100000185807 [0,1,0,0,0,1|0,0,0]=2 1076 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 22a_100000185783_100000185807 [0,1,0,0,0,1|0,0,0]=2 1077 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 527a_100000185783_100000185807 [0,1,0,0,0,1|0,0,0]=2 1078 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 11a_100000210422_100000185807 [0,1,0,0,0,1|0,0,0]=2 1079 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 1626a_100000210422_100000185807 [0,1,0,0,0,1|0,0,0]=2 1080 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 22a_100000210422_100000185807 [0,1,0,0,0,1|0,0,0]=2 1081 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 527a_100000210422_100000185807 [0,1,0,0,0,1|0,0,0]=2 1082 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 11a_100000210053_100000185807 [0,1,0,0,0,1|0,0,0]=2 1083 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 1626a_100000210053_100000185807 [0,1,0,0,0,1|0,0,0]=2 1084 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 22a_100000185747_100000185807 [0,1,0,0,0,1|0,0,0]=2 1085 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 527a_100000185747_100000185807 [0,1,0,0,0,1|0,0,0]=2 1086 B17R2.3426 [13CH3]N(Cc1ccccc1F)c2ccccc2 2230a_100000224004_200025704644 [0,1,0,0,0,1|2,0,0]=4 1087 B17R2.3426 [13CH3]N(Cc1ccccc1F)c2ccccc2 269982a_100000224004_200025704644 [0,1,0,0,0,1|2,0,0]=4 1088 B17R2.3426 [13CH3]N(Cc1ccccc1F)c2ccccc2 34a_100000224004_200025704644 [0,1,0,0,0,1|2,0,0]=4 1089 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 2230a_100000219648_100015291786 [0,1,0,0,0,1|2,0,0]=4 1090 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 2230a_100000224063_200000210301 [0,1,0,0,0,1|2,0,0]=4 1091 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 269982a_100000219648_100000211182 [0,1,0,0,0,1|2,0,0]=4 1092 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 269982a_100000224063_200000210301 [0,1,0,0,0,1|2,0,0]=4 1093 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 34a_100000219648_100015291786 [0,1,0,0,0,1|2,0,0]=4 1094 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 34a_100000224063_200000210301 [0,1,0,0,0,1|2,0,0]=4 1095 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 2230a_100000220044_100015291786 [0,1,0,0,0,1|2,0,0]=4 1096 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 2230a_100102953027_200000210301 [0,1,0,0,0,1|2,0,0]=4 1097 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 269982a_100000220044_100000211182 [0,1,0,0,0,1|2,0,0]=4 1098 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 269982a_100102953027_200000210301 [0,1,0,0,0,1|2,0,0]=4 1099 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 34a_100000220044_100015291786 [0,1,0,0,0,1|2,0,0]=4 1100 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 34a_100102953027_200000210301 [0,1,0,0,0,1|2,0,0]=4 1101 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 2230a_100020633736_100015291786 [0,1,0,0,0,1|2,0,0]=4 1102 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 2230a_100102952868_200000210301 [0,1,0,0,0,1|2,0,0]=4 1103 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 269982a_100020633736_100000211182 [0,1,0,0,0,1|2,0,0]=4 1104 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 269982a_100102952868_200000210301 [0,1,0,0,0,1|2,0,0]=4 1105 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 34a_100020633736_100015291786 [0,1,0,0,0,1|2,0,0]=4 1106 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 34a_100102952868_200000210301 [0,1,0,0,0,1|2,0,0]=4 1107 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)I 2230a_100000221217_100015291786 [0,1,0,0,0,1|2,0,0]=4 1108 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)I 269982a_100000221217_100000211182 [0,1,0,0,0,1|2,0,0]=4 1109 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)I 34a_100000221217_100015291786 [0,1,0,0,0,1|2,0,0]=4 1110 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)O 2230a_100000756613_100015291786 [0,1,0,0,0,1|2,0,0]=4 1111 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)O 269982a_100000756613_100000211182 [0,1,0,0,0,1|2,0,0]=4 1112 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)O 34a_100000756613_100015291786 [0,1,0,0,0,1|2,0,0]=4 1113 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccccc2 1458a_100000189346_100015291786 [0,1,0,0,0,1|0,0,0]=2 1114 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccccn2 1458a_100000189346_100000721315 [0,1,0,0,0,1|1,0,0]=3 1115 B17R2.5273 Cc1cccc(c1)C(=O)Cc2cccnc2 1458a_100000189346_100000733263 [0,1,0,0,0,1|1,0,0]=3 1116 B17R2.5273 Cc1cccc(c1)C(=O)Cc2cccnn2 1458a_100000189346_100016990269 [0,1,0,0,0,1|2,0,0]=4 1117 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccncc2 1458a_100000189346_100000705612 [0,1,0,0,0,1|1,0,0]=3 1118 B17R2.5273 Cc1cccc(c1)C(=O)Cc2cnccn2 1458a_100000189346_100016995436 [0,1,0,0,0,1|2,0,0]=4 1119 B17R2.5273 Cc1cccc(c1)C(=O)Cc2cncnc2 1458a_100000189346_100015196519 [0,1,0,0,0,1|2,0,0]=4 1120 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ncccn2 1458a_100000189346_100000703007 [0,1,0,0,0,1|2,0,0]=4 1121 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 11a_100000106764_100000189346 [0,1,0,0,0,1|0,0,0]=2 1122 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 1626a_100000106764_100000189346 [0,1,0,0,0,1|0,0,0]=2 1123 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 22a_100000106764_100000189346 [0,1,0,0,0,1|0,0,0]=2 1124 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 527a_100000106764_100000189346 [0,1,0,0,0,1|0,0,0]=2 1125 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 2230a_100000185206_200000210301 [0,1,0,0,0,1|2,0,0]=4 1126 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 2230a_100000219674_100015291786 [0,1,0,0,0,1|2,0,0]=4 1127 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 269982a_100000185206_200000210301 [0,1,0,0,0,1|2,0,0]=4 1128 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 269982a_100000219674_100000211182 [0,1,0,0,0,1|2,0,0]=4 1129 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 34a_100000185206_200000210301 [0,1,0,0,0,1|2,0,0]=4 1130 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 34a_100000219674_100015291786 [0,1,0,0,0,1|2,0,0]=4 1131 B17R2.5273 Cc1cccc(c1)N([13CH3])Cc2ccccc2 2230a_100000185206_200025704644 [0,1,0,0,0,1|2,0,0]=4 1132 B17R2.5273 Cc1cccc(c1)N([13CH3])Cc2ccccc2 269982a_100000185206_200025704644 [0,1,0,0,0,1|2,0,0]=4 1133 B17R2.5273 Cc1cccc(c1)N([13CH3])Cc2ccccc2 34a_100000185206_200025704644 [0,1,0,0,0,1|2,0,0]=4 1134 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)Br 1458a_100000210664_100015291786 [0,1,0,0,0,1|0,0,0]=2 1135 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)Cl 1458a_100000210390_100015291786 [0,1,0,0,0,1|0,0,0]=2 1136 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)F 1458a_100000210950_100015291786 [0,1,0,0,0,1|0,0,0]=2 1137 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)I 1458a_100000184098_100015291786 [0,1,0,0,0,1|0,0,0]=2 1138 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)O 1458a_100000183914_100015291786 [0,1,0,0,0,1|0,0,0]=2 1139 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)Br 1458a_100000210664_100000721315 [0,1,0,0,0,1|1,0,0]=3 1140 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)Cl 1458a_100000210390_100000721315 [0,1,0,0,0,1|1,0,0]=3 1141 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)F 1458a_100000210950_100000721315 [0,1,0,0,0,1|1,0,0]=3 1142 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)I 1458a_100000184098_100000721315 [0,1,0,0,0,1|1,0,0]=3 1143 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)O 1458a_100000183914_100000721315 [0,1,0,0,0,1|1,0,0]=3 1144 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)Br 1458a_100000210664_100000733263 [0,1,0,0,0,1|1,0,0]=3 1145 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)Cl 1458a_100000210390_100000733263 [0,1,0,0,0,1|1,0,0]=3 1146 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)F 1458a_100000210950_100000733263 [0,1,0,0,0,1|1,0,0]=3 1147 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)I 1458a_100000184098_100000733263 [0,1,0,0,0,1|1,0,0]=3 1148 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)O 1458a_100000183914_100000733263 [0,1,0,0,0,1|1,0,0]=3 1149 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)Br 1458a_100000210664_100016990269 [0,1,0,0,0,1|2,0,0]=4 1150 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)Cl 1458a_100000210390_100016990269 [0,1,0,0,0,1|2,0,0]=4 1151 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)F 1458a_100000210950_100016990269 [0,1,0,0,0,1|2,0,0]=4 1152 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)I 1458a_100000184098_100016990269 [0,1,0,0,0,1|2,0,0]=4 1153 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)O 1458a_100000183914_100016990269 [0,1,0,0,0,1|2,0,0]=4 1154 B17R2.5273 O=C(Cc1ccncc1)c2cccc(c2)Br 1458a_100000210664_100000705612 [0,1,0,0,0,1|1,0,0]=3 1155 B17R2.5273 O=C(Cc1ccncc1)c2cccc(c2)Cl 1458a_100000210390_100000705612 [0,1,0,0,0,1|1,0,0]=3 1156 B17R2.5273 O=C(Cc1ccncc1)c2cccc(c2)F 1458a_100000210950_100000705612 [0,1,0,0,0,1|1,0,0]=3 1157 B17R2.5273 O=C(Cc1ccncc1)c2cccc(c2)I 1458a_100000184098_100000705612 [0,1,0,0,0,1|1,0,0]=3 1158 B17R2.5273 O=C(Cc1ccncc1)c2cccc(c2)O 1458a_100000183914_100000705612 [0,1,0,0,0,1|1,0,0]=3 1159 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)Br 1458a_100000210664_100016995436 [0,1,0,0,0,1|2,0,0]=4 1160 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)Cl 1458a_100000210390_100016995436 [0,1,0,0,0,1|2,0,0]=4 1161 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)F 1458a_100000210950_100016995436 [0,1,0,0,0,1|2,0,0]=4 1162 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)I 1458a_100000184098_100016995436 [0,1,0,0,0,1|2,0,0]=4 1163 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)O 1458a_100000183914_100016995436 [0,1,0,0,0,1|2,0,0]=4 1164 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)Br 1458a_100000210664_100015196519 [0,1,0,0,0,1|2,0,0]=4 1165 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)Cl 1458a_100000210390_100015196519 [0,1,0,0,0,1|2,0,0]=4 1166 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)F 1458a_100000210950_100015196519 [0,1,0,0,0,1|2,0,0]=4 1167 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)I 1458a_100000184098_100015196519 [0,1,0,0,0,1|2,0,0]=4 1168 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)O 1458a_100000183914_100015196519 [0,1,0,0,0,1|2,0,0]=4 1169 B17R2.5273 O=C(Cc1ncccn1)c2cccc(c2)Br 1458a_100000210664_100000703007 [0,1,0,0,0,1|2,0,0]=4 1170 B17R2.5273 O=C(Cc1ncccn1)c2cccc(c2)Cl 1458a_100000210390_100000703007 [0,1,0,0,0,1|2,0,0]=4 1171 B17R2.5273 O=C(Cc1ncccn1)c2cccc(c2)F 1458a_100000210950_100000703007 [0,1,0,0,0,1|2,0,0]=4 1172 B17R2.5273 O=C(Cc1ncccn1)c2cccc(c2)I 1458a_100000184098_100000703007 [0,1,0,0,0,1|2,0,0]=4 1173 B17R2.5273 O=C(Cc1ncccn1)c2cccc(c2)O 1458a_100000183914_100000703007 [0,1,0,0,0,1|2,0,0]=4 1174 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 11a_100000106764_100000210664 [0,1,0,0,0,1|0,0,0]=2 1175 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 1626a_100000106764_100000210664 [0,1,0,0,0,1|0,0,0]=2 1176 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 22a_100000106764_100000210664 [0,1,0,0,0,1|0,0,0]=2 1177 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 527a_100000106764_100000210664 [0,1,0,0,0,1|0,0,0]=2 1178 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 11a_100000106764_100000210390 [0,1,0,0,0,1|0,0,0]=2 1179 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 1626a_100000106764_100000210390 [0,1,0,0,0,1|0,0,0]=2 1180 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 22a_100000106764_100000210390 [0,1,0,0,0,1|0,0,0]=2 1181 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 527a_100000106764_100000210390 [0,1,0,0,0,1|0,0,0]=2 1182 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 11a_100000106764_100000210950 [0,1,0,0,0,1|0,0,0]=2 1183 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 1626a_100000106764_100000210950 [0,1,0,0,0,1|0,0,0]=2 1184 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 22a_100000106764_100000210950 [0,1,0,0,0,1|0,0,0]=2 1185 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 527a_100000106764_100000210950 [0,1,0,0,0,1|0,0,0]=2 1186 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 11a_100000106764_100000184098 [0,1,0,0,0,1|0,0,0]=2 1187 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 1626a_100000106764_100000184098 [0,1,0,0,0,1|0,0,0]=2 1188 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 22a_100000106764_100000184098 [0,1,0,0,0,1|0,0,0]=2 1189 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 527a_100000106764_100000184098 [0,1,0,0,0,1|0,0,0]=2 1190 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 22a_100000106764_100000183914 [0,1,0,0,0,1|0,0,0]=2 1191 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 271570a_203496583355_200000153492 [0,1,0,0,0,1|0,0,0]=2 1192 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 527a_100000106764_100000183914 [0,1,0,0,0,1|0,0,0]=2 1193 B17R2.5273 O=C(Nc1ccccc1)c2ccnc(c2)O 271570a_203496583355_100000229806 [0,1,0,0,0,1|1,0,0]=3 1194 B17R2.5273 O=C(Nc1ccccc1)c2cncc(c2)O 271570a_203496583355_200000153502 [0,1,0,0,0,1|1,0,0]=3 1195 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Br 2230a_100000224063_200025704644 [0,1,0,0,0,1|2,0,0]=4 1196 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Br 269982a_100000224063_200025704644 [0,1,0,0,0,1|2,0,0]=4 1197 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Br 34a_100000224063_200025704644 [0,1,0,0,0,1|2,0,0]=4 1198 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Cl 2230a_100102953027_200025704644 [0,1,0,0,0,1|2,0,0]=4 1199 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Cl 269982a_100102953027_200025704644 [0,1,0,0,0,1|2,0,0]=4 1200 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Cl 34a_100102953027_200025704644 [0,1,0,0,0,1|2,0,0]=4 1201 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)F 2230a_100102952868_200025704644 [0,1,0,0,0,1|2,0,0]=4 1202 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)F 269982a_100102952868_200025704644 [0,1,0,0,0,1|2,0,0]=4 1203 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)F 34a_100102952868_200025704644 [0,1,0,0,0,1|2,0,0]=4 1204 B17R2.5293 C/C(=C\c1cc(ccn1)Cl)/c2ccccc2 271570a_106741698533_100000210277 [0,1,0,0,0,1|2,0,0]=4 1205 B17R2.5293 CC(Cc1cccc(c1)Br)c2ccccc2 271570a_100000062452_100000691529 [0,1,0,0,0,1|1,0,1]=4 1206 B17R2.5293 CC(Cc1cccc(c1)Cl)c2ccccc2 271570a_100000062452_100000699651 [0,1,0,0,0,1|1,0,1]=4 1207 B17R2.5293 CC(Cc1cccc(c1)F)c2ccccc2 271570a_100000062452_100000685547 [0,1,0,0,0,1|1,0,1]=4 1208 B17R2.5293 CC(Cc1cccc(c1)N)c2ccccc2 271570a_100000062452_100000210019 [0,1,0,0,0,1|1,0,1]=4 1209 B17R2.5293 CC(Cc1cccc(c1)O)c2ccccc2 271570a_100000062452_100000211634 [0,1,0,0,0,1|1,0,1]=4 1210 B17R2.5293 CC(Cc1cccc(c1)[S])c2ccccc2 271570a_100000062452_114929384022 [0,1,0,0,0,1|1,0,1]=4 1211 B17R2.5293 CC(Nc1cccc(c1)Br)c2ccccc2 34a_100000210019_100000211855 [0,1,0,0,0,1|1,0,1]=4 1212 B17R2.5293 CC(Nc1cccc(c1)Cl)c2ccccc2 34a_100000185859_100000211855 [0,1,0,0,0,1|1,0,1]=4 1213 B17R2.5293 CC(Nc1cccc(c1)F)c2ccccc2 34a_100000210047_100000211855 [0,1,0,0,0,1|1,0,1]=4 1214 B17R2.5293 CC(Nc1cccc(c1)I)c2ccccc2 34a_100000211102_100000211855 [0,1,0,0,0,1|1,0,1]=4 1215 B17R2.5293 CC(Nc1cccc(c1)O)c2ccccc2 34a_100000210217_100000211855 [0,1,0,0,0,1|1,0,1]=4 1216 B17R2.5293 CC(Oc1cccc(c1)Br)c2ccccc2 34a_100000210342_100000211855 [0,1,0,0,0,1|1,0,1]=4 1217 B17R2.5293 CC(Oc1cccc(c1)Br)c2ccccc2 7a_100000210342_100000230085 [0,1,0,0,0,1|1,0,1]=4 1218 B17R2.5293 CC(Oc1cccc(c1)Cl)c2ccccc2 34a_100000210295_100000211855 [0,1,0,0,0,1|1,0,1]=4 1219 B17R2.5293 CC(Oc1cccc(c1)Cl)c2ccccc2 7a_100000210295_100000230085 [0,1,0,0,0,1|1,0,1]=4 1220 B17R2.5293 CC(Oc1cccc(c1)F)c2ccccc2 34a_100000210426_100000211855 [0,1,0,0,0,1|1,0,1]=4 1221 B17R2.5293 CC(Oc1cccc(c1)F)c2ccccc2 7a_100000210426_100000230085 [0,1,0,0,0,1|1,0,1]=4 1222 B17R2.5293 CC(Oc1cccc(c1)I)c2ccccc2 34a_100000211634_100000211855 [0,1,0,0,0,1|1,0,1]=4 1223 B17R2.5293 CC(Oc1cccc(c1)I)c2ccccc2 7a_100000211634_100000230085 [0,1,0,0,0,1|1,0,1]=4 1224 B17R2.5293 CC(Oc1cccc(c1)N)c2ccccc2 34a_100000210217_100000211855 [0,1,0,0,0,1|1,0,1]=4 1225 B17R2.5293 CC(Sc1cccc(c1)Br)c2ccccc2 62a_100000230085_100000691529 [0,1,0,0,0,1|1,0,1]=4 1226 B17R2.5293 CC(Sc1cccc(c1)Br)c2ccccc2 62a_100000691529_100000230085 [0,1,0,0,0,1|1,0,1]=4 1227 B17R2.5293 CC(Sc1cccc(c1)Cl)c2ccccc2 62a_100000230085_100000699651 [0,1,0,0,0,1|1,0,1]=4 1228 B17R2.5293 CC(Sc1cccc(c1)Cl)c2ccccc2 62a_100000699651_100000230085 [0,1,0,0,0,1|1,0,1]=4 1229 B17R2.5293 CC(Sc1cccc(c1)F)c2ccccc2 62a_100000230085_100000685547 [0,1,0,0,0,1|1,0,1]=4 1230 B17R2.5293 CC(Sc1cccc(c1)F)c2ccccc2 62a_100000685547_100000230085 [0,1,0,0,0,1|1,0,1]=4 1231 B17R2.5293 CC(Sc1cccc(c1)N)c2ccccc2 62a_100000210019_100000230085 [0,1,0,0,0,1|1,0,1]=4 1232 B17R2.5293 CC(Sc1cccc(c1)N)c2ccccc2 62a_100000230085_100000210019 [0,1,0,0,0,1|1,0,1]=4 1233 B17R2.5293 CC(Sc1cccc(c1)O)c2ccccc2 62a_100000230085_100000211634 [0,1,0,0,0,1|1,0,1]=4 1234 B17R2.5293 CC(Sc1cccc(c1)[S])c2ccccc2 62a_100000230085_114929384022 [0,1,0,0,0,1|1,0,1]=4 1235 B17R2.5293 CC(Sc1cccc(c1)[S])c2ccccc2 62a_114929384022_100000230085 [0,1,0,0,0,1|1,0,1]=4 1236 B17R2.5293 CN(Cc1cccc(c1)Br)c2ccccc2 2230a_100000210012_100000698116 [0,1,0,0,0,1|2,0,0]=4 1237 B17R2.5293 CN(Cc1cccc(c1)Br)c2ccccc2 269982a_100000210012_100000211773 [0,1,0,0,0,1|2,0,0]=4 1238 B17R2.5293 CN(Cc1cccc(c1)Br)c2ccccc2 34a_100000210012_100000698116 [0,1,0,0,0,1|2,0,0]=4 1239 B17R2.5293 CN(Cc1cccc(c1)Cl)c2ccccc2 2230a_100000210012_100000181238 [0,1,0,0,0,1|2,0,0]=4 1240 B17R2.5293 CN(Cc1cccc(c1)Cl)c2ccccc2 269982a_100000210012_100000181238 [0,1,0,0,0,1|2,0,0]=4 1241 B17R2.5293 CN(Cc1cccc(c1)Cl)c2ccccc2 34a_100000210012_100000187163 [0,1,0,0,0,1|2,0,0]=4 1242 B17R2.5293 CN(Cc1cccc(c1)F)c2ccccc2 2230a_100000210012_100000230114 [0,1,0,0,0,1|2,0,0]=4 1243 B17R2.5293 CN(Cc1cccc(c1)F)c2ccccc2 269982a_100000210012_100000230114 [0,1,0,0,0,1|2,0,0]=4 1244 B17R2.5293 CN(Cc1cccc(c1)F)c2ccccc2 34a_100000210012_100000187166 [0,1,0,0,0,1|2,0,0]=4 1245 B17R2.5293 CN(Cc1cccc(c1)I)c2ccccc2 2230a_100000210012_100011218688 [0,1,0,0,0,1|2,0,0]=4 1246 B17R2.5293 CN(Cc1cccc(c1)I)c2ccccc2 269982a_100000210012_100011218688 [0,1,0,0,0,1|2,0,0]=4 1247 B17R2.5293 CN(Cc1cccc(c1)I)c2ccccc2 34a_100000210012_100011218688 [0,1,0,0,0,1|2,0,0]=4 1248 B17R2.5293 CN(Cc1cccc(c1)O)c2ccccc2 2230a_100000210012_100011660834 [0,1,0,0,0,1|2,0,0]=4 1249 B17R2.5293 CN(Cc1cccc(c1)O)c2ccccc2 269982a_100000210012_100000084143 [0,1,0,0,0,1|2,0,0]=4 1250 B17R2.5293 CN(Cc1cccc(c1)O)c2ccccc2 34a_100000210012_100011660834 [0,1,0,0,0,1|2,0,0]=4 1251 B17R2.5293 Cc1cc(ccn1)CC(=O)c2ccccc2 1458a_100000185807_200020672517 [0,1,0,0,0,1|1,0,0]=3 1252 B17R2.5293 Cc1cccc(c1)CC(=O)c2ccccc2 1458a_100000185807_100000211840 [0,1,0,0,0,1|0,0,0]=2 1253 B17R2.5293 Cc1cccc(c1)CC(C)c2ccccc2 271570a_100000062452_100011215228 [0,1,0,0,0,1|1,0,1]=4 1254 B17R2.5293 Cc1cccc(c1)CN(C)c2ccccc2 2230a_100000210012_100000211840 [0,1,0,0,0,1|2,0,0]=4 1255 B17R2.5293 Cc1cccc(c1)CN(C)c2ccccc2 269982a_100000210012_100000211840 [0,1,0,0,0,1|2,0,0]=4 1256 B17R2.5293 Cc1cccc(c1)CN(C)c2ccccc2 34a_100000210012_100000211840 [0,1,0,0,0,1|2,0,0]=4 1257 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 11a_100000188690_100000185807 [0,1,0,0,0,1|0,0,0]=2 1258 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 1626a_100000188690_100000185807 [0,1,0,0,0,1|0,0,0]=2 1259 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 22a_100000188690_100000185807 [0,1,0,0,0,1|0,0,0]=2 1260 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 527a_100000188690_100000185807 [0,1,0,0,0,1|0,0,0]=2 1261 B17R2.5293 Cc1cccc(c1)NC(C)c2ccccc2 2230a_100000188690_100000230085 [0,1,0,0,0,1|1,0,1]=4 1262 B17R2.5293 Cc1cccc(c1)NC(C)c2ccccc2 34a_100000188690_100000211855 [0,1,0,0,0,1|1,0,1]=4 1263 B17R2.5293 Cc1cccc(c1)OC(C)c2ccccc2 34a_100000210337_100000211855 [0,1,0,0,0,1|1,0,1]=4 1264 B17R2.5293 Cc1cccc(c1)OC(C)c2ccccc2 7a_100000210337_100000230085 [0,1,0,0,0,1|1,0,1]=4 1265 B17R2.5293 Cc1cccc(c1)SC(C)c2ccccc2 62a_100000230085_100011215228 [0,1,0,0,0,1|1,0,1]=4 1266 B17R2.5293 Cc1cccc(c1)SC(C)c2ccccc2 62a_100011215228_100000230085 [0,1,0,0,0,1|1,0,1]=4 1267 B17R2.5293 Cc1cccc(n1)CC(=O)c2ccccc2 1458a_100000185807_100000757606 [0,1,0,0,0,1|1,0,0]=3 1268 B17R2.5293 Cc1ccnc(c1)CC(=O)c2ccccc2 1458a_100000185807_100000718516 [0,1,0,0,0,1|1,0,0]=3 1269 B17R2.5293 Cc1cncc(c1)CC(=O)c2ccccc2 1458a_100000185807_100000716715 [0,1,0,0,0,1|1,0,0]=3 1270 B17R2.5293 O=C(Cc1cc(ccn1)Br)c2ccccc2 1458a_100000185807_100010173614 [0,1,0,0,0,1|1,0,0]=3 1271 B17R2.5293 O=C(Cc1cc(ccn1)Cl)c2ccccc2 1458a_100000185807_100016988179 [0,1,0,0,0,1|1,0,0]=3 1272 B17R2.5293 O=C(Cc1cccc(c1)Br)c2ccccc2 1458a_100000185807_100000211773 [0,1,0,0,0,1|0,0,0]=2 1273 B17R2.5293 O=C(Cc1cccc(c1)Cl)c2ccccc2 1458a_100000185807_100000181238 [0,1,0,0,0,1|0,0,0]=2 1274 B17R2.5293 O=C(Cc1cccc(c1)F)c2ccccc2 1458a_100000185807_100000230114 [0,1,0,0,0,1|0,0,0]=2 1275 B17R2.5293 O=C(Cc1cccc(c1)I)c2ccccc2 1458a_100000185807_100011218688 [0,1,0,0,0,1|0,0,0]=2 1276 B17R2.5293 O=C(Cc1cccc(c1)O)c2ccccc2 1458a_100000185807_100011660834 [0,1,0,0,0,1|0,0,0]=2 1277 B17R2.5293 O=C(Cc1cccc(n1)Br)c2ccccc2 1458a_100000185807_100009889011 [0,1,0,0,0,1|1,0,0]=3 1278 B17R2.5293 O=C(Cc1cccc(n1)Cl)c2ccccc2 1458a_100000185807_100000086093 [0,1,0,0,0,1|1,0,0]=3 1279 B17R2.5293 O=C(Cc1cccc(n1)F)c2ccccc2 1458a_100000185807_100009819644 [0,1,0,0,0,1|1,0,0]=3 1280 B17R2.5293 O=C(Cc1ccnc(c1)Br)c2ccccc2 1458a_100000185807_100010243470 [0,1,0,0,0,1|1,0,0]=3 1281 B17R2.5293 O=C(Cc1ccnc(c1)Cl)c2ccccc2 1458a_100000185807_100000764220 [0,1,0,0,0,1|1,0,0]=3 1282 B17R2.5293 O=C(Cc1ccnc(n1)Cl)c2ccccc2 1458a_100000185807_100000099655 [0,1,0,0,0,1|2,0,0]=4 1283 B17R2.5293 O=C(Cc1cncc(c1)Br)c2ccccc2 1458a_100000185807_100011740620 [0,1,0,0,0,1|1,0,0]=3 1284 B17R2.5293 O=C(Cc1cncc(c1)Cl)c2ccccc2 1458a_100000185807_100016992070 [0,1,0,0,0,1|1,0,0]=3 1285 B17R2.5293 O=C(Cc1cncc(c1)F)c2ccccc2 1458a_100000185807_100000725299 [0,1,0,0,0,1|1,0,0]=3 1286 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 11a_100000210019_100000185807 [0,1,0,0,0,1|0,0,0]=2 1287 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 1626a_100000210019_100000185807 [0,1,0,0,0,1|0,0,0]=2 1288 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 22a_100000210019_100000185807 [0,1,0,0,0,1|0,0,0]=2 1289 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 527a_100000210019_100000185807 [0,1,0,0,0,1|0,0,0]=2 1290 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 11a_100000185859_100000185807 [0,1,0,0,0,1|0,0,0]=2 1291 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 1626a_100000185859_100000185807 [0,1,0,0,0,1|0,0,0]=2 1292 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 22a_100000185859_100000185807 [0,1,0,0,0,1|0,0,0]=2 1293 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 11a_100000210047_100000185807 [0,1,0,0,0,1|0,0,0]=2 1294 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 1626a_100000210047_100000185807 [0,1,0,0,0,1|0,0,0]=2 1295 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 22a_100000210047_100000185807 [0,1,0,0,0,1|0,0,0]=2 1296 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 527a_100000210047_100000185807 [0,1,0,0,0,1|0,0,0]=2 1297 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 11a_100000211102_100000185807 [0,1,0,0,0,1|0,0,0]=2 1298 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 1626a_100000211102_100000185807 [0,1,0,0,0,1|0,0,0]=2 1299 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 22a_100000211102_100000185807 [0,1,0,0,0,1|0,0,0]=2 1300 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 527a_100000211102_100000185807 [0,1,0,0,0,1|0,0,0]=2 1301 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 1626a_100000210217_100000185807 [0,1,0,0,0,1|0,0,0]=2 1302 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 22a_100000210217_100000185807 [0,1,0,0,0,1|0,0,0]=2 1303 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 271570a_203496583355_100000153631 [0,1,0,0,0,1|0,0,0]=2 1304 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 527a_100000210217_100000185807 [0,1,0,0,0,1|0,0,0]=2 1305 B17R2.10205 CC(C(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000230085 [0,1,0,0,0,1|0,0,0]=2 1306 B17R2.10205 CC(C(=O)c1ccccc1)c2cnccn2 1458a_100000185807_200000703233 [0,1,0,0,0,1|2,0,0]=4 1307 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 2230a_100000210012_100000230085 [0,1,0,0,0,1|1,0,1]=4 1308 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 269982a_100000210012_100000230085 [0,1,0,0,0,1|1,0,1]=4 1309 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 34a_100000210012_100000211855 [0,1,0,0,0,1|1,0,1]=4 1310 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 11a_100000210012_100000185807 [0,1,0,0,0,1|0,0,0]=2 1311 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 1626a_100000210012_100000185807 [0,1,0,0,0,1|0,0,0]=2 1312 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 22a_100000210012_100000185807 [0,1,0,0,0,1|0,0,0]=2 1313 B17R2.20249 CC(C)(Sc1ccccc1)c2ccccc2 62a_100000034625_100000041952 [0,1,0,0,0,1|1,0,1]=4 1314 B17R2.20249 CC(C)(Sc1ccccc1)c2ccccc2 62a_100000719477_100000034625 [0,1,0,0,0,1|1,0,1]=4 1315 B17R2.20249 FC(F)(Oc1ccccc1)c2ccccc2 7a_100000210340_100000036403 [0,1,0,0,0,1|1,0,1]=4 1316 B17R2.20249 FC(F)(Sc1ccccc1)c2ccccc2 62a_100000719477_100000036403 [0,1,0,0,0,1|1,0,1]=4 1317 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccc2 20a_100000106764_100000210345 [0,1,0,0,0,1|1,0,0]=3 1318 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccc2 232682a_100000106764_100000210345 [0,1,0,0,0,1|1,0,0]=3 1319 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccn2 20a_100000106764_100016994956 [0,1,0,0,0,1|2,0,0]=4 1320 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccn2 232682a_100000106764_100016994956 [0,1,0,0,0,1|2,0,0]=4 1321 B17R2.20249 O=S(=O)(Nc1ccccc1)c2cccnc2 20a_100000106764_100000736704 [0,1,0,0,0,1|2,0,0]=4 1322 B17R2.20249 O=S(=O)(Nc1ccccc1)c2cccnc2 232682a_100000106764_100000736704 [0,1,0,0,0,1|2,0,0]=4 1323 B17R2.68 C=C(c1ccc(cc1)OC)c2ccccn2 271570a_100010144143_100011216584 [0,2,0,0,0,0|2,0,0]=4 1324 B17R2.68 C=C(c1ccc(cc1)OC)c2cccnc2 271570a_100010144143_100000752921 [0,2,0,0,0,0|2,0,0]=4 1325 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)C#N 271570a_100000068269_100000179745 [0,2,0,0,0,0|1,0,0]=3 1326 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)C=O 271570a_100000068269_100000186029 [0,2,0,0,0,0|1,0,0]=3 1327 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)CC 271570a_100000068269_100011215824 [0,2,0,0,0,0|1,0,0]=3 1328 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)CF 271570a_100000068269_100010268989 [0,2,0,0,0,0|1,0,0]=3 1329 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)CN 271570a_100000068269_100016989417 [0,2,0,0,0,0|1,0,0]=3 1330 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)CO 271570a_100000068269_100000690907 [0,2,0,0,0,0|1,0,0]=3 1331 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)NC 271570a_100000068269_100000219623 [0,2,0,0,0,0|1,0,0]=3 1332 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)NN 271570a_100000068269_100016988836 [0,2,0,0,0,0|1,0,0]=3 1333 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)OC 271570a_100000068269_100000171711 [0,2,0,0,0,0|1,0,0]=3 1334 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)OC 271570a_100010144143_100000210277 [0,2,0,0,0,0|1,0,0]=3 1335 B17R2.68 C=C(c1ccccc1)c2ccc(cc2)SC 271570a_100000068269_100011263217 [0,2,0,0,0,0|1,0,0]=3 1336 B17R2.68 C=C(c1ccccc1)c2ccc(cn2)C#N 271570a_100000068269_100000241038 [0,2,0,0,0,0|2,0,0]=4 1337 B17R2.68 C=C(c1ccccc1)c2ccc(cn2)C=O 271570a_100000068269_100000766901 [0,2,0,0,0,0|2,0,0]=4 1338 B17R2.68 C=C(c1ccccc1)c2ccc(cn2)CC 271570a_100000068269_100009843584 [0,2,0,0,0,0|2,0,0]=4 1339 B17R2.68 C=C(c1ccccc1)c2ccc(cn2)CN 271570a_100000068269_100009817727 [0,2,0,0,0,0|2,0,0]=4 1340 B17R2.68 C=C(c1ccccc1)c2ccc(cn2)CO 271570a_100000068269_100009816760 [0,2,0,0,0,0|2,0,0]=4 1341 B17R2.68 C=C(c1ccccc1)c2ccc(cn2)NC 271570a_100000068269_100000764248 [0,2,0,0,0,0|2,0,0]=4 1342 B17R2.68 C=C(c1ccccc1)c2ccc(cn2)NN 271570a_100000068269_100000119030 [0,2,0,0,0,0|2,0,0]=4 1343 B17R2.68 C=C(c1ccccc1)c2ccc(cn2)OC 271570a_100000068269_100000755202 [0,2,0,0,0,0|2,0,0]=4 1344 B17R2.68 C=C(c1ccccc1)c2ccc(cn2)SC 271570a_100000068269_100009820866 [0,2,0,0,0,0|2,0,0]=4 1345 B17R2.68 C=C(c1ccccc1)c2ccc(nc2)C#N 271570a_100000068269_100000760455 [0,2,0,0,0,0|2,0,0]=4 1346 B17R2.68 C=C(c1ccccc1)c2ccc(nc2)C=O 271570a_100000068269_100000754260 [0,2,0,0,0,0|2,0,0]=4 1347 B17R2.68 C=C(c1ccccc1)c2ccc(nc2)CC 271570a_100000068269_100009820025 [0,2,0,0,0,0|2,0,0]=4 1348 B17R2.68 C=C(c1ccccc1)c2ccc(nc2)CN 271570a_100000068269_100015188789 [0,2,0,0,0,0|2,0,0]=4 1349 B17R2.68 C=C(c1ccccc1)c2ccc(nc2)CO 271570a_100000068269_100000754261 [0,2,0,0,0,0|2,0,0]=4 1350 B17R2.68 C=C(c1ccccc1)c2ccc(nc2)NC 271570a_100000068269_100000741341 [0,2,0,0,0,0|2,0,0]=4 1351 B17R2.68 C=C(c1ccccc1)c2ccc(nc2)NN 271570a_100000068269_100000750576 [0,2,0,0,0,0|2,0,0]=4 1352 B17R2.68 C=C(c1ccccc1)c2ccc(nc2)OC 271570a_100000068269_100000047065 [0,2,0,0,0,0|2,0,0]=4 1353 B17R2.68 C=C(c1ccccc1)c2ccc(nc2)SC 271570a_100000068269_100011408404 [0,2,0,0,0,0|2,0,0]=4 1354 B17R2.68 C=C(c1ccncc1)c2ccc(cc2)OC 271570a_100010144143_100000035832 [0,2,0,0,0,0|2,0,0]=4 1355 B17R2.68 C=Cc1ccc(cc1)C(=O)c2ccccc2 271570a_100011290941_100000718703 [0,2,0,0,0,0|0,0,0]=2 1356 B17R2.68 C=Cc1ccc(cc1)C(=O)c2ccccn2 271570a_100011290941_200010179208 [0,2,0,0,0,0|1,0,0]=3 1357 B17R2.68 C=Cc1ccc(cc1)C(=O)c2cccnc2 271570a_100011290941_100000753996 [0,2,0,0,0,0|1,0,0]=3 1358 B17R2.68 C=Cc1ccc(cc1)C(N)c2ccccc2 271570a_100011290941_100000745999 [0,2,0,0,0,0|1,0,1]=4 1359 B17R2.68 C=Cc1ccc(cc1)C(O)c2ccccc2 271570a_100011290941_100011217567 [0,2,0,0,0,0|0,0,2]=4 1360 B17R2.68 CC(c1ccccc1)c2ccc(cc2)O[13CH3] 34a_100000059748_200025704644 [0,2,0,0,0,0|1,0,1]=4 1361 B17R2.68 CC(c1ccccc1)c2ccc(cc2)O[13CH3] 7a_100000059748_200025704644 [0,2,0,0,0,0|1,0,1]=4 1362 B17R2.68 CNc1ccc(cc1)C(=O)c2cccnc2 27a_100102657272_100000753996 [0,2,0,0,0,0|1,0,0]=3 1363 B17R2.68 CNc1ccc(cc1)C(O)c2ccccc2 2230a_100011236343_200000210301 [0,2,0,0,0,0|0,0,2]=4 1364 B17R2.68 CNc1ccc(cc1)C(O)c2ccccc2 34a_100011236343_200000210301 [0,2,0,0,0,0|0,0,2]=4 1365 B17R2.68 CNc1ccc(cc1)C(O)c2ccccc2 7a_100011236343_200000210301 [0,2,0,0,0,0|0,0,2]=4 1366 B17R2.68 COc1ccc(cc1)C(=O)c2ccccc2 34a_100000212148_200000210301 [0,2,0,0,0,0|0,0,0]=2 1367 B17R2.68 COc1ccc(cc1)C(=O)c2ccccc2 7a_100000212148_200000210301 [0,2,0,0,0,0|0,0,0]=2 1368 B17R2.68 COc1ccc(cc1)C(=O)c2ccccn2 34a_200000078124_200000210301 [0,2,0,0,0,0|1,0,0]=3 1369 B17R2.68 COc1ccc(cc1)C(=O)c2ccccn2 7a_200000078124_200000210301 [0,2,0,0,0,0|1,0,0]=3 1370 B17R2.68 COc1ccc(cc1)C(C)c2ccccc2 34a_100000059748_200000210301 [0,2,0,0,0,0|1,0,1]=4 1371 B17R2.68 COc1ccc(cc1)C(C)c2ccccc2 7a_100000059748_200000210301 [0,2,0,0,0,0|1,0,1]=4 1372 B17R2.68 COc1ccc(cc1)C(N)c2ccccc2 34a_100000198503_200000210301 [0,2,0,0,0,0|1,0,1]=4 1373 B17R2.68 COc1ccc(cc1)C(O)c2ccccc2 34a_100000246463_200000210301 [0,2,0,0,0,0|0,0,2]=4 1374 B17R2.68 COc1ccc(cc1)C(O)c2ccccc2 7a_100000246463_200000210301 [0,2,0,0,0,0|0,0,2]=4 1375 B17R2.68 CSc1ccc(cc1)C(=O)c2ccccc2 62a_100000718703_200000210301 [0,2,0,0,0,0|0,0,0]=2 1376 B17R2.68 CSc1ccc(cc1)C(=O)c2ccccc2 62a_200000210301_100011267611 [0,2,0,0,0,0|0,0,0]=2 1377 B17R2.68 CSc1ccc(cc1)C(=O)c2ccccn2 62a_200000210301_200010179208 [0,2,0,0,0,0|1,0,0]=3 1378 B17R2.68 CSc1ccc(cc1)C(=O)c2ccccn2 62a_200010179208_200000210301 [0,2,0,0,0,0|1,0,0]=3 1379 B17R2.68 CSc1ccc(cc1)C(=O)c2cccnc2 62a_100000753996_200000210301 [0,2,0,0,0,0|1,0,0]=3 1380 B17R2.68 CSc1ccc(cc1)C(=O)c2cccnc2 62a_200000210301_100000753996 [0,2,0,0,0,0|1,0,0]=3 1381 B17R2.68 CSc1ccc(cc1)C(N)c2ccccc2 62a_100000745999_200000210301 [0,2,0,0,0,0|1,0,1]=4 1382 B17R2.68 CSc1ccc(cc1)C(N)c2ccccc2 62a_200000210301_100000745999 [0,2,0,0,0,0|1,0,1]=4 1383 B17R2.68 CSc1ccc(cc1)C(O)c2ccccc2 62a_100011217567_200000210301 [0,2,0,0,0,0|0,0,2]=4 1384 B17R2.68 CSc1ccc(cc1)C(O)c2ccccc2 62a_200000210301_100011217567 [0,2,0,0,0,0|0,0,2]=4 1385 B17R2.68 [13CH3]Nc1ccc(cc1)C(O)c2ccccc2 2230a_100011236343_200025704644 [0,2,0,0,0,0|0,0,2]=4 1386 B17R2.68 [13CH3]Nc1ccc(cc1)C(O)c2ccccc2 34a_100011236343_200025704644 [0,2,0,0,0,0|0,0,2]=4 1387 B17R2.68 [13CH3]Nc1ccc(cc1)C(O)c2ccccc2 7a_100011236343_200025704644 [0,2,0,0,0,0|0,0,2]=4 1388 B17R2.68 [13CH3]Oc1ccc(cc1)C(=O)c2ccccc2 34a_100000212148_200025704644 [0,2,0,0,0,0|0,0,0]=2 1389 B17R2.68 [13CH3]Oc1ccc(cc1)C(=O)c2ccccc2 7a_100000212148_200025704644 [0,2,0,0,0,0|0,0,0]=2 1390 B17R2.68 [13CH3]Oc1ccc(cc1)C(=O)c2ccccn2 34a_200000078124_200025704644 [0,2,0,0,0,0|1,0,0]=3 1391 B17R2.68 [13CH3]Oc1ccc(cc1)C(=O)c2ccccn2 7a_200000078124_200025704644 [0,2,0,0,0,0|1,0,0]=3 1392 B17R2.68 [13CH3]Oc1ccc(cc1)C(N)c2ccccc2 34a_100000198503_200025704644 [0,2,0,0,0,0|1,0,1]=4 1393 B17R2.68 [13CH3]Oc1ccc(cc1)C(O)c2ccccc2 34a_100000246463_200025704644 [0,2,0,0,0,0|0,0,2]=4 1394 B17R2.68 [13CH3]Oc1ccc(cc1)C(O)c2ccccc2 7a_100000246463_200025704644 [0,2,0,0,0,0|0,0,2]=4 1395 B17R2.68 [13CH3]Sc1ccc(cc1)C(=O)c2ccccc2 62a_100000718703_200025704644 [0,2,0,0,0,0|0,0,0]=2 1396 B17R2.68 [13CH3]Sc1ccc(cc1)C(=O)c2ccccc2 62a_200025704644_100011267611 [0,2,0,0,0,0|0,0,0]=2 1397 B17R2.68 [13CH3]Sc1ccc(cc1)C(=O)c2ccccn2 62a_200010179208_200025704644 [0,2,0,0,0,0|1,0,0]=3 1398 B17R2.68 [13CH3]Sc1ccc(cc1)C(=O)c2ccccn2 62a_200025704644_200010179208 [0,2,0,0,0,0|1,0,0]=3 1399 B17R2.68 [13CH3]Sc1ccc(cc1)C(=O)c2cccnc2 62a_100000753996_200025704644 [0,2,0,0,0,0|1,0,0]=3 1400 B17R2.68 [13CH3]Sc1ccc(cc1)C(=O)c2cccnc2 62a_200025704644_100000753996 [0,2,0,0,0,0|1,0,0]=3 1401 B17R2.68 [13CH3]Sc1ccc(cc1)C(N)c2ccccc2 62a_100000745999_200025704644 [0,2,0,0,0,0|1,0,1]=4 1402 B17R2.68 [13CH3]Sc1ccc(cc1)C(N)c2ccccc2 62a_200025704644_100000745999 [0,2,0,0,0,0|1,0,1]=4 1403 B17R2.68 [13CH3]Sc1ccc(cc1)C(O)c2ccccc2 62a_100011217567_200025704644 [0,2,0,0,0,0|0,0,2]=4 1404 B17R2.68 [13CH3]Sc1ccc(cc1)C(O)c2ccccc2 62a_200025704644_100011217567 [0,2,0,0,0,0|0,0,2]=4 1405 B17R2.191 C=C(c1ccc(cc1)C)c2cc(ccn2)C 271570a_100010895218_100000750283 [0,2,0,0,0,0|2,0,0]=4 1406 B17R2.191 C=C(c1ccc(cc1)C)c2cc(ccn2)Cl 271570a_100010895218_100010167805 [0,2,0,0,0,0|2,0,0]=4 1407 B17R2.191 C=C(c1ccc(cc1)C)c2cc(ccn2)F 271570a_100010895218_100009817058 [0,2,0,0,0,0|2,0,0]=4 1408 B17R2.191 C=C(c1ccc(cc1)C)c2cc(ccn2)N 271570a_100010895218_100009814236 [0,2,0,0,0,0|2,0,0]=4 1409 B17R2.191 C=C(c1ccc(cc1)C)c2cc(ccn2)O 271570a_100010895218_100000762945 [0,2,0,0,0,0|2,0,0]=4 1410 B17R2.191 C=C(c1ccc(cc1)C)c2cc[nH]c(=O)c2 271570a_100010895218_100009816521 [0,2,0,0,0,0|2,0,0]=4 1411 B17R2.191 C=C(c1ccc(cc1)C)c2ccc[n+](c2)C 271570a_100010895218_100009996589 [0,2,0,0,0,0|2,0,0]=4 1412 B17R2.191 C=C(c1ccc(cc1)C)c2ccc[n+](c2)[O-] 271570a_100010895218_100009815978 [0,2,0,0,0,0|2,0,0]=4 1413 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(=O)[nH]2 271570a_100010895218_100000761760 [0,2,0,0,0,0|2,0,0]=4 1414 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(c2)Br 271570a_100010895218_100000691529 [0,2,0,0,0,0|1,0,0]=3 1415 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(c2)C 271570a_100010895218_100011215228 [0,2,0,0,0,0|1,0,0]=3 1416 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(c2)Cl 271570a_100010895218_100000699651 [0,2,0,0,0,0|1,0,0]=3 1417 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(c2)F 271570a_100010895218_100000685547 [0,2,0,0,0,0|1,0,0]=3 1418 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(c2)N 271570a_100010895218_100000210019 [0,2,0,0,0,0|1,0,0]=3 1419 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(c2)O 271570a_100010895218_100000211634 [0,2,0,0,0,0|1,0,0]=3 1420 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(c2)[S] 271570a_100010895218_114929384022 [0,2,0,0,0,0|1,0,0]=3 1421 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(n2)Br 271570a_100010895218_100000684672 [0,2,0,0,0,0|2,0,0]=4 1422 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(n2)C 271570a_100010895218_100000742759 [0,2,0,0,0,0|2,0,0]=4 1423 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(n2)F 271570a_100010895218_100009815982 [0,2,0,0,0,0|2,0,0]=4 1424 B17R2.191 C=C(c1ccc(cc1)C)c2cccc(n2)N 271570a_100010895218_100000740741 [0,2,0,0,0,0|2,0,0]=4 1425 B17R2.191 C=C(c1ccc(cc1)C)c2ccnc(c2)Br 271570a_100010895218_100009814637 [0,2,0,0,0,0|2,0,0]=4 1426 B17R2.191 C=C(c1ccc(cc1)C)c2ccnc(c2)C 271570a_100010895218_100000758586 [0,2,0,0,0,0|2,0,0]=4 1427 B17R2.191 C=C(c1ccc(cc1)C)c2ccnc(c2)Cl 271570a_100010895218_100000035001 [0,2,0,0,0,0|2,0,0]=4 1428 B17R2.191 C=C(c1ccc(cc1)C)c2ccnc(c2)F 271570a_100010895218_100009816116 [0,2,0,0,0,0|2,0,0]=4 1429 B17R2.191 C=C(c1ccc(cc1)C)c2ccnc(c2)N 271570a_100010895218_100000744379 [0,2,0,0,0,0|2,0,0]=4 1430 B17R2.191 C=C(c1ccc(cc1)C)c2cncc(c2)Br 271570a_100010895218_100000728054 [0,2,0,0,0,0|2,0,0]=4 1431 B17R2.191 C=C(c1ccc(cc1)C)c2cncc(c2)C 271570a_100010895218_100000760492 [0,2,0,0,0,0|2,0,0]=4 1432 B17R2.191 C=C(c1ccc(cc1)C)c2cncc(c2)Cl 271570a_100010895218_100000049639 [0,2,0,0,0,0|2,0,0]=4 1433 B17R2.191 C=C(c1ccc(cc1)C)c2cncc(c2)F 271570a_100010895218_100000744099 [0,2,0,0,0,0|2,0,0]=4 1434 B17R2.191 C=C(c1ccc(cc1)C)c2cncc(c2)N 271570a_100010895218_100000687067 [0,2,0,0,0,0|2,0,0]=4 1435 B17R2.191 C=C(c1ccc(cc1)C)c2cncc(c2)O 271570a_100010895218_100000754920 [0,2,0,0,0,0|2,0,0]=4 1436 B17R2.191 C=C(c1ccc(cc1)Cl)c2cc(ccn2)C 271570a_100010171417_100000750283 [0,2,0,0,0,0|2,0,0]=4 1437 B17R2.191 C=C(c1ccc(cc1)Cl)c2cc(ccn2)Cl 271570a_100010171417_100010167805 [0,2,0,0,0,0|2,0,0]=4 1438 B17R2.191 C=C(c1ccc(cc1)Cl)c2cc(ccn2)F 271570a_100010171417_100009817058 [0,2,0,0,0,0|2,0,0]=4 1439 B17R2.191 C=C(c1ccc(cc1)Cl)c2cc(ccn2)N 271570a_100010171417_100009814236 [0,2,0,0,0,0|2,0,0]=4 1440 B17R2.191 C=C(c1ccc(cc1)Cl)c2cc(ccn2)O 271570a_100010171417_100000762945 [0,2,0,0,0,0|2,0,0]=4 1441 B17R2.191 C=C(c1ccc(cc1)Cl)c2cc[nH]c(=O)c2 271570a_100010171417_100009816521 [0,2,0,0,0,0|2,0,0]=4 1442 B17R2.191 C=C(c1ccc(cc1)Cl)c2ccc[n+](c2)C 271570a_100010171417_100009996589 [0,2,0,0,0,0|2,0,0]=4 1443 B17R2.191 C=C(c1ccc(cc1)Cl)c2ccc[n+](c2)[O-] 271570a_100010171417_100009815978 [0,2,0,0,0,0|2,0,0]=4 1444 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(=O)[nH]2 271570a_100010171417_100000761760 [0,2,0,0,0,0|2,0,0]=4 1445 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(c2)Br 271570a_100010171417_100000691529 [0,2,0,0,0,0|1,0,0]=3 1446 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(c2)C 271570a_100010171417_100011215228 [0,2,0,0,0,0|1,0,0]=3 1447 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(c2)Cl 271570a_100010171417_100000699651 [0,2,0,0,0,0|1,0,0]=3 1448 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(c2)F 271570a_100010171417_100000685547 [0,2,0,0,0,0|1,0,0]=3 1449 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(c2)N 271570a_100010171417_100000210019 [0,2,0,0,0,0|1,0,0]=3 1450 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(c2)O 271570a_100010171417_100000211634 [0,2,0,0,0,0|1,0,0]=3 1451 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(c2)[S] 271570a_100010171417_114929384022 [0,2,0,0,0,0|1,0,0]=3 1452 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(n2)Br 271570a_100010171417_100000684672 [0,2,0,0,0,0|2,0,0]=4 1453 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(n2)C 271570a_100010171417_100000742759 [0,2,0,0,0,0|2,0,0]=4 1454 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(n2)F 271570a_100010171417_100009815982 [0,2,0,0,0,0|2,0,0]=4 1455 B17R2.191 C=C(c1ccc(cc1)Cl)c2cccc(n2)N 271570a_100010171417_100000740741 [0,2,0,0,0,0|2,0,0]=4 1456 B17R2.191 C=C(c1ccc(cc1)Cl)c2ccnc(c2)Br 271570a_100010171417_100009814637 [0,2,0,0,0,0|2,0,0]=4 1457 B17R2.191 C=C(c1ccc(cc1)Cl)c2ccnc(c2)C 271570a_100010171417_100000758586 [0,2,0,0,0,0|2,0,0]=4 1458 B17R2.191 C=C(c1ccc(cc1)Cl)c2ccnc(c2)Cl 271570a_100010171417_100000035001 [0,2,0,0,0,0|2,0,0]=4 1459 B17R2.191 C=C(c1ccc(cc1)Cl)c2ccnc(c2)F 271570a_100010171417_100009816116 [0,2,0,0,0,0|2,0,0]=4 1460 B17R2.191 C=C(c1ccc(cc1)Cl)c2ccnc(c2)N 271570a_100010171417_100000744379 [0,2,0,0,0,0|2,0,0]=4 1461 B17R2.191 C=C(c1ccc(cc1)Cl)c2cncc(c2)Br 271570a_100010171417_100000728054 [0,2,0,0,0,0|2,0,0]=4 1462 B17R2.191 C=C(c1ccc(cc1)Cl)c2cncc(c2)C 271570a_100010171417_100000760492 [0,2,0,0,0,0|2,0,0]=4 1463 B17R2.191 C=C(c1ccc(cc1)Cl)c2cncc(c2)Cl 271570a_100010171417_100000049639 [0,2,0,0,0,0|2,0,0]=4 1464 B17R2.191 C=C(c1ccc(cc1)Cl)c2cncc(c2)F 271570a_100010171417_100000744099 [0,2,0,0,0,0|2,0,0]=4 1465 B17R2.191 C=C(c1ccc(cc1)Cl)c2cncc(c2)N 271570a_100010171417_100000687067 [0,2,0,0,0,0|2,0,0]=4 1466 B17R2.191 C=C(c1ccc(cc1)Cl)c2cncc(c2)O 271570a_100010171417_100000754920 [0,2,0,0,0,0|2,0,0]=4 1467 B17R2.191 C=C(c1ccc(cc1)F)c2cc(ccn2)C 271570a_100000068270_100000750283 [0,2,0,0,0,0|2,0,0]=4 1468 B17R2.191 C=C(c1ccc(cc1)F)c2cc(ccn2)Cl 271570a_100000068270_100010167805 [0,2,0,0,0,0|2,0,0]=4 1469 B17R2.191 C=C(c1ccc(cc1)F)c2cc(ccn2)F 271570a_100000068270_100009817058 [0,2,0,0,0,0|2,0,0]=4 1470 B17R2.191 C=C(c1ccc(cc1)F)c2cc(ccn2)N 271570a_100000068270_100009814236 [0,2,0,0,0,0|2,0,0]=4 1471 B17R2.191 C=C(c1ccc(cc1)F)c2cc(ccn2)O 271570a_100000068270_100000762945 [0,2,0,0,0,0|2,0,0]=4 1472 B17R2.191 C=C(c1ccc(cc1)F)c2cc[nH]c(=O)c2 271570a_100000068270_100009816521 [0,2,0,0,0,0|2,0,0]=4 1473 B17R2.191 C=C(c1ccc(cc1)F)c2ccc[n+](c2)C 271570a_100000068270_100009996589 [0,2,0,0,0,0|2,0,0]=4 1474 B17R2.191 C=C(c1ccc(cc1)F)c2ccc[n+](c2)[O-] 271570a_100000068270_100009815978 [0,2,0,0,0,0|2,0,0]=4 1475 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(=O)[nH]2 271570a_100000068270_100000761760 [0,2,0,0,0,0|2,0,0]=4 1476 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(c2)Br 271570a_100000068270_100000691529 [0,2,0,0,0,0|1,0,0]=3 1477 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(c2)C 271570a_100000068270_100011215228 [0,2,0,0,0,0|1,0,0]=3 1478 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(c2)Cl 271570a_100000068270_100000699651 [0,2,0,0,0,0|1,0,0]=3 1479 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(c2)F 271570a_100000068270_100000685547 [0,2,0,0,0,0|1,0,0]=3 1480 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(c2)N 271570a_100000068270_100000210019 [0,2,0,0,0,0|1,0,0]=3 1481 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(c2)O 271570a_100000068270_100000211634 [0,2,0,0,0,0|1,0,0]=3 1482 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(c2)[S] 271570a_100000068270_114929384022 [0,2,0,0,0,0|1,0,0]=3 1483 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(n2)Br 271570a_100000068270_100000684672 [0,2,0,0,0,0|2,0,0]=4 1484 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(n2)C 271570a_100000068270_100000742759 [0,2,0,0,0,0|2,0,0]=4 1485 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(n2)F 271570a_100000068270_100009815982 [0,2,0,0,0,0|2,0,0]=4 1486 B17R2.191 C=C(c1ccc(cc1)F)c2cccc(n2)N 271570a_100000068270_100000740741 [0,2,0,0,0,0|2,0,0]=4 1487 B17R2.191 C=C(c1ccc(cc1)F)c2ccnc(c2)Br 271570a_100000068270_100009814637 [0,2,0,0,0,0|2,0,0]=4 1488 B17R2.191 C=C(c1ccc(cc1)F)c2ccnc(c2)C 271570a_100000068270_100000758586 [0,2,0,0,0,0|2,0,0]=4 1489 B17R2.191 C=C(c1ccc(cc1)F)c2ccnc(c2)Cl 271570a_100000068270_100000035001 [0,2,0,0,0,0|2,0,0]=4 1490 B17R2.191 C=C(c1ccc(cc1)F)c2ccnc(c2)F 271570a_100000068270_100009816116 [0,2,0,0,0,0|2,0,0]=4 1491 B17R2.191 C=C(c1ccc(cc1)F)c2ccnc(c2)N 271570a_100000068270_100000744379 [0,2,0,0,0,0|2,0,0]=4 1492 B17R2.191 C=C(c1ccc(cc1)F)c2cncc(c2)Br 271570a_100000068270_100000728054 [0,2,0,0,0,0|2,0,0]=4 1493 B17R2.191 C=C(c1ccc(cc1)F)c2cncc(c2)C 271570a_100000068270_100000760492 [0,2,0,0,0,0|2,0,0]=4 1494 B17R2.191 C=C(c1ccc(cc1)F)c2cncc(c2)Cl 271570a_100000068270_100000049639 [0,2,0,0,0,0|2,0,0]=4 1495 B17R2.191 C=C(c1ccc(cc1)F)c2cncc(c2)F 271570a_100000068270_100000744099 [0,2,0,0,0,0|2,0,0]=4 1496 B17R2.191 C=C(c1ccc(cc1)F)c2cncc(c2)N 271570a_100000068270_100000687067 [0,2,0,0,0,0|2,0,0]=4 1497 B17R2.191 C=C(c1ccc(cc1)F)c2cncc(c2)O 271570a_100000068270_100000754920 [0,2,0,0,0,0|2,0,0]=4 1498 B17R2.191 Cc1ccc(cc1)C(=O)c2cccc(c2)O 271570a_203496583355_200011268011 [0,2,0,0,0,0|0,0,0]=2 1499 B17R2.191 NC(c1ccc(cc1)O)c2cccc(c2)F 271570a_203496583355_200000296200 [0,2,0,0,0,0|1,0,1]=4 1500 B17R2.191 O=C(c1ccc(cc1)F)c2cccc(c2)O 271570a_203496583355_200011267472 [0,2,0,0,0,0|0,0,0]=2 1501 B17R2.191 Oc1ccc(cc1)C(O)c2cccc(c2)F 271570a_203496583355_200000373125 [0,2,0,0,0,0|0,0,2]=4 1502 B17R2.191 Oc1cccc(c1)C(O)c2ccc(cc2)F 271570a_203496583355_200000373208 [0,2,0,0,0,0|0,0,2]=4 1503 B17R2.203 O=S(=O)(c1ccccc1)c2ccc(cc2)O 271570a_203496583355_100009991210 [0,2,0,0,0,0|1,0,0]=3 1504 B17R2.217 C=C(c1ccc(cc1)C)c2cc[n+](cc2)[O-] 271570a_100010895218_100000039755 [0,2,0,0,0,0|2,0,0]=4 1505 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(=O)[nH]c2 271570a_100010895218_100000212171 [0,2,0,0,0,0|2,0,0]=4 1506 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cc2)Br 271570a_100010895218_100000752885 [0,2,0,0,0,0|1,0,0]=3 1507 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cc2)C 271570a_100010895218_100000186775 [0,2,0,0,0,0|1,0,0]=3 1508 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cc2)Cl 271570a_100010171417_100000186775 [0,2,0,0,0,0|1,0,0]=3 1509 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cc2)Cl 271570a_100010895218_100000755918 [0,2,0,0,0,0|1,0,0]=3 1510 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cc2)F 271570a_100000068270_100000186775 [0,2,0,0,0,0|1,0,0]=3 1511 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cc2)F 271570a_100010895218_100000211213 [0,2,0,0,0,0|1,0,0]=3 1512 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cc2)N 271570a_100010895218_100000185761 [0,2,0,0,0,0|1,0,0]=3 1513 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cc2)O 271570a_100010895218_100000185759 [0,2,0,0,0,0|1,0,0]=3 1514 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cn2)Br 271570a_100010895218_100000686858 [0,2,0,0,0,0|2,0,0]=4 1515 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cn2)C 271570a_100010895218_100000754016 [0,2,0,0,0,0|2,0,0]=4 1516 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cn2)Cl 271570a_100010895218_100011356976 [0,2,0,0,0,0|2,0,0]=4 1517 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cn2)F 271570a_100010895218_100000744514 [0,2,0,0,0,0|2,0,0]=4 1518 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cn2)N 271570a_100010895218_100000744251 [0,2,0,0,0,0|2,0,0]=4 1519 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cn2)O 271570a_100010895218_100000685995 [0,2,0,0,0,0|2,0,0]=4 1520 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(nc2)Br 271570a_100010895218_100009814638 [0,2,0,0,0,0|2,0,0]=4 1521 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(nc2)C 271570a_100010895218_100000751577 [0,2,0,0,0,0|2,0,0]=4 1522 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(nc2)Cl 271570a_100010895218_100000034144 [0,2,0,0,0,0|2,0,0]=4 1523 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(nc2)F 271570a_100010895218_100000748661 [0,2,0,0,0,0|2,0,0]=4 1524 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(nc2)N 271570a_100010895218_100000187370 [0,2,0,0,0,0|2,0,0]=4 1525 B17R2.217 C=C(c1ccc(cc1)Cl)c2cc[n+](cc2)[O-] 271570a_100010171417_100000039755 [0,2,0,0,0,0|2,0,0]=4 1526 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(=O)[nH]c2 271570a_100010171417_100000212171 [0,2,0,0,0,0|2,0,0]=4 1527 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(cc2)Br 271570a_100010171417_100000752885 [0,2,0,0,0,0|1,0,0]=3 1528 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl 271570a_100010171417_100000755918 [0,2,0,0,0,0|1,0,0]=3 1529 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(cn2)Br 271570a_100010171417_100000686858 [0,2,0,0,0,0|2,0,0]=4 1530 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(cn2)C 271570a_100010171417_100000754016 [0,2,0,0,0,0|2,0,0]=4 1531 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(cn2)Cl 271570a_100010171417_100011356976 [0,2,0,0,0,0|2,0,0]=4 1532 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(cn2)F 271570a_100010171417_100000744514 [0,2,0,0,0,0|2,0,0]=4 1533 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(cn2)N 271570a_100010171417_100000744251 [0,2,0,0,0,0|2,0,0]=4 1534 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(cn2)O 271570a_100010171417_100000685995 [0,2,0,0,0,0|2,0,0]=4 1535 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(nc2)Br 271570a_100010171417_100009814638 [0,2,0,0,0,0|2,0,0]=4 1536 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(nc2)C 271570a_100010171417_100000751577 [0,2,0,0,0,0|2,0,0]=4 1537 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(nc2)Cl 271570a_100010171417_100000034144 [0,2,0,0,0,0|2,0,0]=4 1538 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(nc2)F 271570a_100010171417_100000748661 [0,2,0,0,0,0|2,0,0]=4 1539 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(nc2)N 271570a_100010171417_100000187370 [0,2,0,0,0,0|2,0,0]=4 1540 B17R2.217 C=C(c1ccc(cc1)F)c2cc[n+](cc2)[O-] 271570a_100000068270_100000039755 [0,2,0,0,0,0|2,0,0]=4 1541 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(=O)[nH]c2 271570a_100000068270_100000212171 [0,2,0,0,0,0|2,0,0]=4 1542 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cc2)Br 271570a_100000068270_100000752885 [0,2,0,0,0,0|1,0,0]=3 1543 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cc2)Cl 271570a_100000068270_100000755918 [0,2,0,0,0,0|1,0,0]=3 1544 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cc2)Cl 271570a_100010171417_100000211213 [0,2,0,0,0,0|1,0,0]=3 1545 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cc2)F 271570a_100000068270_100000211213 [0,2,0,0,0,0|1,0,0]=3 1546 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cn2)Br 271570a_100000068270_100000686858 [0,2,0,0,0,0|2,0,0]=4 1547 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cn2)C 271570a_100000068270_100000754016 [0,2,0,0,0,0|2,0,0]=4 1548 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cn2)Cl 271570a_100000068270_100011356976 [0,2,0,0,0,0|2,0,0]=4 1549 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cn2)F 271570a_100000068270_100000744514 [0,2,0,0,0,0|2,0,0]=4 1550 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cn2)N 271570a_100000068270_100000744251 [0,2,0,0,0,0|2,0,0]=4 1551 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(cn2)O 271570a_100000068270_100000685995 [0,2,0,0,0,0|2,0,0]=4 1552 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(nc2)Br 271570a_100000068270_100009814638 [0,2,0,0,0,0|2,0,0]=4 1553 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(nc2)C 271570a_100000068270_100000751577 [0,2,0,0,0,0|2,0,0]=4 1554 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(nc2)Cl 271570a_100000068270_100000034144 [0,2,0,0,0,0|2,0,0]=4 1555 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(nc2)F 271570a_100000068270_100000748661 [0,2,0,0,0,0|2,0,0]=4 1556 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(nc2)N 271570a_100000068270_100000187370 [0,2,0,0,0,0|2,0,0]=4 1557 B17R2.217 C=C(c1ccc(cc1)N)c2ccc(cc2)Cl 271570a_100010171417_100000185761 [0,2,0,0,0,0|1,0,0]=3 1558 B17R2.217 C=C(c1ccc(cc1)N)c2ccc(cc2)F 271570a_100000068270_100000185761 [0,2,0,0,0,0|1,0,0]=3 1559 B17R2.217 C=C(c1ccc(cc1)O)c2ccc(cc2)Cl 271570a_100010171417_100000185759 [0,2,0,0,0,0|1,0,0]=3 1560 B17R2.217 C=C(c1ccc(cc1)O)c2ccc(cc2)F 271570a_100000068270_100000185759 [0,2,0,0,0,0|1,0,0]=3 1561 B17R2.217 O=C(c1ccc(cc1)O)c2ccc(cc2)F 271570a_203496583355_200011267496 [0,2,0,0,0,0|0,0,0]=2 1562 B17R2.217 O=C(c1ccc(cc1)O)c2ccc(cc2)O 271570a_203496583355_200009812950 [0,2,0,0,0,0|0,0,0]=2 1563 B17R2.219 C=C(c1ccccc1)c2c[nH]c(=O)c(c2)Br 271570a_100000068269_100010125443 [0,2,0,0,0,0|2,0,0]=4 1564 B17R2.219 C=C(c1ccccc1)c2c[nH]c(=O)c(c2)F 271570a_100000068269_100000723523 [0,2,0,0,0,0|2,0,0]=4 1565 B17R2.219 C=C(c1ccccc1)c2c[nH]c(=O)c(c2)O 271570a_100000068269_100009814561 [0,2,0,0,0,0|2,0,0]=4 1566 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)Br)C 271570a_100000068269_100012356354 [0,2,0,0,0,0|2,0,0]=4 1567 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)C)C 271570a_100000068269_100009850809 [0,2,0,0,0,0|2,0,0]=4 1568 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)C)F 271570a_100000068269_100009841206 [0,2,0,0,0,0|2,0,0]=4 1569 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)C)N 271570a_100000068269_100000690170 [0,2,0,0,0,0|2,0,0]=4 1570 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)C)O 271570a_100000068269_100000704368 [0,2,0,0,0,0|2,0,0]=4 1571 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)F)C 271570a_100000068269_100009818257 [0,2,0,0,0,0|2,0,0]=4 1572 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)F)N 271570a_100000068269_100000126464 [0,2,0,0,0,0|2,0,0]=4 1573 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)F)O 271570a_100000068269_100009854642 [0,2,0,0,0,0|2,0,0]=4 1574 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)N)C 271570a_100000068269_100000765520 [0,2,0,0,0,0|2,0,0]=4 1575 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)N)N 271570a_100000068269_100000067514 [0,2,0,0,0,0|2,0,0]=4 1576 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)O)C 271570a_100000068269_100000692680 [0,2,0,0,0,0|2,0,0]=4 1577 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)O)N 271570a_100000068269_100009819941 [0,2,0,0,0,0|2,0,0]=4 1578 B17R2.219 C=C(c1ccccc1)c2ccc(=O)n(c2)C 271570a_100000068269_100011245003 [0,2,0,0,0,0|2,0,0]=4 1579 B17R2.219 C=C(c1ccccc1)c2ccc([n+](c2)[O-])C 271570a_100000068269_100000703231 [0,2,0,0,0,0|2,0,0]=4 1580 B17R2.219 C=C(c1ccccc1)c2ccc(c(=S)[nH]2)N 271570a_100000068269_100116329207 [0,2,0,0,0,0|2,0,0]=4 1581 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Br)Br 271570a_100000068269_100012356285 [0,2,0,0,0,0|1,0,0]=3 1582 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Br)C 271570a_100000068269_100011847877 [0,2,0,0,0,0|1,0,0]=3 1583 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Br)Cl 271570a_100000068269_100012353702 [0,2,0,0,0,0|1,0,0]=3 1584 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Br)F 271570a_100000068269_100012047266 [0,2,0,0,0,0|1,0,0]=3 1585 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Br)N 271570a_100000068269_100000750455 [0,2,0,0,0,0|1,0,0]=3 1586 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Br)O 271570a_100000068269_100012361655 [0,2,0,0,0,0|1,0,0]=3 1587 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)C)Br 271570a_100000068269_100009813585 [0,2,0,0,0,0|1,0,0]=3 1588 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)C)C 271570a_100000068269_100011215607 [0,2,0,0,0,0|1,0,0]=3 1589 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)C)Cl 271570a_100000068269_100000049509 [0,2,0,0,0,0|1,0,0]=3 1590 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)C)F 271570a_100000068269_100011218330 [0,2,0,0,0,0|1,0,0]=3 1591 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)C)N 271570a_100000068269_100000211769 [0,2,0,0,0,0|1,0,0]=3 1592 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)C)O 271570a_100000068269_100000186361 [0,2,0,0,0,0|1,0,0]=3 1593 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Cl)Br 271570a_100000068269_100012047281 [0,2,0,0,0,0|1,0,0]=3 1594 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Cl)C 271570a_100000068269_100011216363 [0,2,0,0,0,0|1,0,0]=3 1595 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Cl)Cl 271570a_100000068269_100011214914 [0,2,0,0,0,0|1,0,0]=3 1596 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Cl)F 271570a_100000068269_100011215976 [0,2,0,0,0,0|1,0,0]=3 1597 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Cl)N 271570a_100000068269_100011218065 [0,2,0,0,0,0|1,0,0]=3 1598 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)Cl)O 271570a_100000068269_100012360047 [0,2,0,0,0,0|1,0,0]=3 1599 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)F)Br 271570a_100000068269_100000685389 [0,2,0,0,0,0|1,0,0]=3 1600 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)F)C 271570a_100000068269_100000720648 [0,2,0,0,0,0|1,0,0]=3 1601 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)F)Cl 271570a_100000068269_100011216805 [0,2,0,0,0,0|1,0,0]=3 1602 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)F)F 271570a_100000068269_100000750028 [0,2,0,0,0,0|1,0,0]=3 1603 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)F)N 271570a_100000068269_100011215594 [0,2,0,0,0,0|1,0,0]=3 1604 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)F)O 271570a_100000068269_100000185481 [0,2,0,0,0,0|1,0,0]=3 1605 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)N)Br 271570a_100000068269_100000750456 [0,2,0,0,0,0|1,0,0]=3 1606 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)N)C 271570a_100000068269_100000761890 [0,2,0,0,0,0|1,0,0]=3 1607 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)N)Cl 271570a_100000068269_200000761891 [0,2,0,0,0,0|1,0,0]=3 1608 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)N)F 271570a_100000068269_100000740924 [0,2,0,0,0,0|1,0,0]=3 1609 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)N)N 271570a_100000068269_100000741789 [0,2,0,0,0,0|1,0,0]=3 1610 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)N)O 271570a_100000068269_100000752626 [0,2,0,0,0,0|1,0,0]=3 1611 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)O)Br 271570a_100000068269_100012356990 [0,2,0,0,0,0|1,0,0]=3 1612 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)O)C 271570a_100000068269_100000766334 [0,2,0,0,0,0|1,0,0]=3 1613 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)O)Cl 271570a_100000068269_100011356854 [0,2,0,0,0,0|1,0,0]=3 1614 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)O)F 271570a_100000068269_100000686035 [0,2,0,0,0,0|1,0,0]=3 1615 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)O)N 271570a_100000068269_100000739049 [0,2,0,0,0,0|1,0,0]=3 1616 B17R2.219 C=C(c1ccccc1)c2ccc(c(c2)O)O 271570a_100000068269_100009813601 [0,2,0,0,0,0|1,0,0]=3 1617 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)Br)O 271570a_100000068269_100000725334 [0,2,0,0,0,0|2,0,0]=4 1618 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)C)Br 271570a_100000068269_100012360386 [0,2,0,0,0,0|2,0,0]=4 1619 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)C)C 271570a_100000068269_100000103781 [0,2,0,0,0,0|2,0,0]=4 1620 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)C)F 271570a_100000068269_100009814307 [0,2,0,0,0,0|2,0,0]=4 1621 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)C)N 271570a_100000068269_100000760127 [0,2,0,0,0,0|2,0,0]=4 1622 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)C)O 271570a_100000068269_100010233687 [0,2,0,0,0,0|2,0,0]=4 1623 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)Cl)N 271570a_100000068269_200010233646 [0,2,0,0,0,0|2,0,0]=4 1624 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)Cl)O 271570a_100000068269_100000721234 [0,2,0,0,0,0|2,0,0]=4 1625 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)F)Br 271570a_100000068269_100010134343 [0,2,0,0,0,0|2,0,0]=4 1626 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)F)N 271570a_100000068269_100009856439 [0,2,0,0,0,0|2,0,0]=4 1627 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)F)O 271570a_100000068269_100009819667 [0,2,0,0,0,0|2,0,0]=4 1628 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)N)C 271570a_100000068269_100009857032 [0,2,0,0,0,0|2,0,0]=4 1629 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)N)F 271570a_100000068269_100016091773 [0,2,0,0,0,0|2,0,0]=4 1630 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)N)N 271570a_100000068269_100000747239 [0,2,0,0,0,0|2,0,0]=4 1631 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)N)O 271570a_100000068269_100000685527 [0,2,0,0,0,0|2,0,0]=4 1632 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)O)F 271570a_100000068269_100010729010 [0,2,0,0,0,0|2,0,0]=4 1633 B17R2.219 C=C(c1ccccc1)c2ccc(c(n2)O)N 271570a_100000068269_100000718904 [0,2,0,0,0,0|2,0,0]=4 1634 B17R2.219 C=C(c1ccccc1)c2ccn(c(=O)c2)C 271570a_100000068269_100009820031 [0,2,0,0,0,0|2,0,0]=4 1635 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)Br)Cl 271570a_100000068269_100010172733 [0,2,0,0,0,0|2,0,0]=4 1636 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)Br)N 271570a_100000068269_100012353989 [0,2,0,0,0,0|2,0,0]=4 1637 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)C)Br 271570a_100000068269_100009816107 [0,2,0,0,0,0|2,0,0]=4 1638 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)C)C 271570a_100000068269_100000697892 [0,2,0,0,0,0|2,0,0]=4 1639 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)C)Cl 271570a_100000068269_100009922867 [0,2,0,0,0,0|2,0,0]=4 1640 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)C)F 271570a_100000068269_100000709442 [0,2,0,0,0,0|2,0,0]=4 1641 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)C)N 271570a_100000068269_100000186686 [0,2,0,0,0,0|2,0,0]=4 1642 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)C)O 271570a_100000068269_100000685391 [0,2,0,0,0,0|2,0,0]=4 1643 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)Cl)N 271570a_100000068269_100012356299 [0,2,0,0,0,0|2,0,0]=4 1644 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)Cl)O 271570a_100000068269_100010238531 [0,2,0,0,0,0|2,0,0]=4 1645 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)F)C 271570a_100000068269_100009845756 [0,2,0,0,0,0|2,0,0]=4 1646 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)F)F 271570a_100000068269_100009817721 [0,2,0,0,0,0|2,0,0]=4 1647 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)F)N 271570a_100000068269_100000693161 [0,2,0,0,0,0|2,0,0]=4 1648 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)N)C 271570a_100000068269_100011999542 [0,2,0,0,0,0|2,0,0]=4 1649 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)N)Cl 271570a_100000068269_100009828400 [0,2,0,0,0,0|2,0,0]=4 1650 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)N)F 271570a_100000068269_100009816798 [0,2,0,0,0,0|2,0,0]=4 1651 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)N)N 271570a_100000068269_100000184470 [0,2,0,0,0,0|2,0,0]=4 1652 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)N)O 271570a_100000068269_100000743729 [0,2,0,0,0,0|2,0,0]=4 1653 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)O)C 271570a_100000068269_100009864810 [0,2,0,0,0,0|2,0,0]=4 1654 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)O)F 271570a_100000068269_100009819871 [0,2,0,0,0,0|2,0,0]=4 1655 B17R2.219 C=C(c1ccccc1)c2cnc(c(c2)O)N 271570a_100000068269_100009819042 [0,2,0,0,0,0|2,0,0]=4 1656 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_200000210301 [0,2,0,0,0,0|1,0,1]=4 1657 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)Br 270004a_106832991635_100000718703 [0,2,0,0,0,0|1,0,1]=4 1658 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_200000210301 [0,2,0,0,0,0|1,0,1]=4 1659 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)C 2230a_100000736602_200000210301 [0,2,0,0,0,0|1,0,1]=4 1660 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)C 270004a_106832991635_100000210966 [0,2,0,0,0,0|1,0,1]=4 1661 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)C 34a_100000736602_200000210301 [0,2,0,0,0,0|1,0,1]=4 1662 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_200000210301 [0,2,0,0,0,0|1,0,1]=4 1663 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_106832991635_100000211669 [0,2,0,0,0,0|1,0,1]=4 1664 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)Cl 270004a_106832991635_100000211064 [0,2,0,0,0,0|1,0,1]=4 1665 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_200000210301 [0,2,0,0,0,0|1,0,1]=4 1666 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)Cl 7a_106832991635_100000211669 [0,2,0,0,0,0|1,0,1]=4 1667 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_200000210301 [0,2,0,0,0,0|1,0,1]=4 1668 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)F 270004a_106832991635_100000210425 [0,2,0,0,0,0|1,0,1]=4 1669 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_200000210301 [0,2,0,0,0,0|1,0,1]=4 1670 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_200000210301 [0,2,0,0,0,0|1,0,1]=4 1671 B17R2.291 COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_200000210301 [0,2,0,0,0,0|0,0,2]=4 1672 B17R2.291 COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_200000210301 [0,2,0,0,0,0|0,0,2]=4 1673 B17R2.291 COC(c1ccccc1)c2ccc(cc2)C 34a_100000212064_200000210301 [0,2,0,0,0,0|0,0,2]=4 1674 B17R2.291 COC(c1ccccc1)c2ccc(cc2)C 7a_100000212064_200000210301 [0,2,0,0,0,0|0,0,2]=4 1675 B17R2.291 COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_200000210301 [0,2,0,0,0,0|0,0,2]=4 1676 B17R2.291 COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_200000210301 [0,2,0,0,0,0|0,0,2]=4 1677 B17R2.291 COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_200000210301 [0,2,0,0,0,0|0,0,2]=4 1678 B17R2.291 COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_200000210301 [0,2,0,0,0,0|0,0,2]=4 1679 B17R2.291 COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_200000210301 [0,2,0,0,0,0|0,0,2]=4 1680 B17R2.291 COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_200000210301 [0,2,0,0,0,0|0,0,2]=4 1681 B17R2.291 CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_200000210301 [0,2,0,0,0,0|0,1,1]=4 1682 B17R2.291 CSC(c1ccccc1)c2ccc(cc2)Cl 62a_200000210301_100000211669 [0,2,0,0,0,0|0,1,1]=4 1683 B17R2.291 Cc1ccc(cc1)C(N[13CH3])c2ccccc2 2230a_100000736602_200025704644 [0,2,0,0,0,0|1,0,1]=4 1684 B17R2.291 Cc1ccc(cc1)C(N[13CH3])c2ccccc2 34a_100000736602_200025704644 [0,2,0,0,0,0|1,0,1]=4 1685 B17R2.291 Cc1ccc(cc1)C(O[13CH3])c2ccccc2 34a_100000212064_200025704644 [0,2,0,0,0,0|0,0,2]=4 1686 B17R2.291 Cc1ccc(cc1)C(O[13CH3])c2ccccc2 7a_100000212064_200025704644 [0,2,0,0,0,0|0,0,2]=4 1687 B17R2.291 [13CH3]NC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_200025704644 [0,2,0,0,0,0|1,0,1]=4 1688 B17R2.291 [13CH3]NC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_200025704644 [0,2,0,0,0,0|1,0,1]=4 1689 B17R2.291 [13CH3]NC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_200025704644 [0,2,0,0,0,0|1,0,1]=4 1690 B17R2.291 [13CH3]NC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_200025704644 [0,2,0,0,0,0|1,0,1]=4 1691 B17R2.291 [13CH3]NC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_200025704644 [0,2,0,0,0,0|1,0,1]=4 1692 B17R2.291 [13CH3]NC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_200025704644 [0,2,0,0,0,0|1,0,1]=4 1693 B17R2.291 [13CH3]NC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_200025704644 [0,2,0,0,0,0|1,0,1]=4 1694 B17R2.291 [13CH3]OC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_200025704644 [0,2,0,0,0,0|0,0,2]=4 1695 B17R2.291 [13CH3]OC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_200025704644 [0,2,0,0,0,0|0,0,2]=4 1696 B17R2.291 [13CH3]OC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_200025704644 [0,2,0,0,0,0|0,0,2]=4 1697 B17R2.291 [13CH3]OC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_200025704644 [0,2,0,0,0,0|0,0,2]=4 1698 B17R2.291 [13CH3]OC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_200025704644 [0,2,0,0,0,0|0,0,2]=4 1699 B17R2.291 [13CH3]OC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_200025704644 [0,2,0,0,0,0|0,0,2]=4 1700 B17R2.291 [13CH3]OC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_200025704644 [0,2,0,0,0,0|0,0,2]=4 1701 B17R2.291 [13CH3]OC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_200025704644 [0,2,0,0,0,0|0,0,2]=4 1702 B17R2.291 [13CH3]SC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_200025704644 [0,2,0,0,0,0|0,1,1]=4 1703 B17R2.291 [13CH3]SC(c1ccccc1)c2ccc(cc2)Cl 62a_200025704644_100000211669 [0,2,0,0,0,0|0,1,1]=4 1704 B17R2.381 C=C(c1ccc(cc1)C)c2c[nH]ccc2=O 271570a_100010895218_100009998708 [0,2,0,0,0,0|2,0,0]=4 1705 B17R2.381 C=C(c1ccc(cc1)C)c2c[nH]ccc2=S 271570a_100010895218_200012280681 [0,2,0,0,0,0|2,0,0]=4 1706 B17R2.381 C=C(c1ccc(cc1)C)c2ccc[nH]c2=O 271570a_100010895218_100000050042 [0,2,0,0,0,0|2,0,0]=4 1707 B17R2.381 C=C(c1ccc(cc1)C)c2cccc[n+]2C 271570a_100010895218_100000212160 [0,2,0,0,0,0|2,0,0]=4 1708 B17R2.381 C=C(c1ccc(cc1)C)c2cccc[n+]2[O-] 271570a_100010895218_200000042595 [0,2,0,0,0,0|2,0,0]=4 1709 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2Br 271570a_100010895218_100000695589 [0,2,0,0,0,0|1,0,0]=3 1710 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2C 271570a_100010895218_100000210755 [0,2,0,0,0,0|1,0,0]=3 1711 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2Cl 271570a_100010895218_100000764095 [0,2,0,0,0,0|1,0,0]=3 1712 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2F 271570a_100010895218_100011215700 [0,2,0,0,0,0|1,0,0]=3 1713 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2N 271570a_100010895218_100000210017 [0,2,0,0,0,0|1,0,0]=3 1714 B17R2.381 C=C(c1ccc(cc1)C)c2ccccc2O 271570a_100010895218_100000739446 [0,2,0,0,0,0|1,0,0]=3 1715 B17R2.381 C=C(c1ccc(cc1)C)c2cccnc2Br 271570a_100010895218_100010202626 [0,2,0,0,0,0|2,0,0]=4 1716 B17R2.381 C=C(c1ccc(cc1)C)c2cccnc2C 271570a_100010895218_100000751574 [0,2,0,0,0,0|2,0,0]=4 1717 B17R2.381 C=C(c1ccc(cc1)C)c2cccnc2Cl 271570a_100010895218_100000036424 [0,2,0,0,0,0|2,0,0]=4 1718 B17R2.381 C=C(c1ccc(cc1)C)c2cccnc2F 271570a_100010895218_100009816115 [0,2,0,0,0,0|2,0,0]=4 1719 B17R2.381 C=C(c1ccc(cc1)C)c2cccnc2N 271570a_100010895218_100000045569 [0,2,0,0,0,0|2,0,0]=4 1720 B17R2.381 C=C(c1ccc(cc1)C)c2ccncc2Br 271570a_100010895218_100000726257 [0,2,0,0,0,0|2,0,0]=4 1721 B17R2.381 C=C(c1ccc(cc1)C)c2ccncc2C 271570a_100010895218_100015191297 [0,2,0,0,0,0|2,0,0]=4 1722 B17R2.381 C=C(c1ccc(cc1)C)c2ccncc2Cl 271570a_100010895218_100000708259 [0,2,0,0,0,0|2,0,0]=4 1723 B17R2.381 C=C(c1ccc(cc1)C)c2ccncc2F 271570a_100010895218_100000047030 [0,2,0,0,0,0|2,0,0]=4 1724 B17R2.381 C=C(c1ccc(cc1)C)c2ccncc2N 271570a_100010895218_100009815883 [0,2,0,0,0,0|2,0,0]=4 1725 B17R2.381 C=C(c1ccc(cc1)C)c2ccncc2O 271570a_100010895218_100009817591 [0,2,0,0,0,0|2,0,0]=4 1726 B17R2.381 C=C(c1ccc(cc1)C)c2cnccc2Br 271570a_100010895218_100010138639 [0,2,0,0,0,0|2,0,0]=4 1727 B17R2.381 C=C(c1ccc(cc1)C)c2cnccc2C 271570a_100010895218_100000761580 [0,2,0,0,0,0|2,0,0]=4 1728 B17R2.381 C=C(c1ccc(cc1)C)c2cnccc2Cl 271570a_100010895218_100009995489 [0,2,0,0,0,0|2,0,0]=4 1729 B17R2.381 C=C(c1ccc(cc1)C)c2cnccc2F 271570a_100010895218_100009820683 [0,2,0,0,0,0|2,0,0]=4 1730 B17R2.381 C=C(c1ccc(cc1)C)c2cnccc2N 271570a_100010895218_100000047001 [0,2,0,0,0,0|2,0,0]=4 1731 B17R2.381 C=C(c1ccc(cc1)C)c2ncccc2Br 271570a_100010895218_100000696092 [0,2,0,0,0,0|2,0,0]=4 1732 B17R2.381 C=C(c1ccc(cc1)C)c2ncccc2C 271570a_100010895218_100000751373 [0,2,0,0,0,0|2,0,0]=4 1733 B17R2.381 C=C(c1ccc(cc1)C)c2ncccc2Cl 271570a_100010895218_100011356963 [0,2,0,0,0,0|2,0,0]=4 1734 B17R2.381 C=C(c1ccc(cc1)C)c2ncccc2F 271570a_100010895218_100000685392 [0,2,0,0,0,0|2,0,0]=4 1735 B17R2.381 C=C(c1ccc(cc1)C)c2ncccc2N 271570a_100010895218_100000688686 [0,2,0,0,0,0|2,0,0]=4 1736 B17R2.381 C=C(c1ccc(cc1)C)c2ncccc2O 271570a_100010895218_100000034122 [0,2,0,0,0,0|2,0,0]=4 1737 B17R2.381 C=C(c1ccc(cc1)Cl)c2c[nH]ccc2=O 271570a_100010171417_100009998708 [0,2,0,0,0,0|2,0,0]=4 1738 B17R2.381 C=C(c1ccc(cc1)Cl)c2c[nH]ccc2=S 271570a_100010171417_200012280681 [0,2,0,0,0,0|2,0,0]=4 1739 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccc[nH]c2=O 271570a_100010171417_100000050042 [0,2,0,0,0,0|2,0,0]=4 1740 B17R2.381 C=C(c1ccc(cc1)Cl)c2cccc[n+]2C 271570a_100010171417_100000212160 [0,2,0,0,0,0|2,0,0]=4 1741 B17R2.381 C=C(c1ccc(cc1)Cl)c2cccc[n+]2[O-] 271570a_100010171417_200000042595 [0,2,0,0,0,0|2,0,0]=4 1742 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2Br 271570a_100010171417_100000695589 [0,2,0,0,0,0|1,0,0]=3 1743 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2C 271570a_100010171417_100000210755 [0,2,0,0,0,0|1,0,0]=3 1744 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2Cl 271570a_100010171417_100000764095 [0,2,0,0,0,0|1,0,0]=3 1745 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2F 271570a_100010171417_100011215700 [0,2,0,0,0,0|1,0,0]=3 1746 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2N 271570a_100010171417_100000210017 [0,2,0,0,0,0|1,0,0]=3 1747 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccccc2O 271570a_100010171417_100000739446 [0,2,0,0,0,0|1,0,0]=3 1748 B17R2.381 C=C(c1ccc(cc1)Cl)c2cccnc2Br 271570a_100010171417_100010202626 [0,2,0,0,0,0|2,0,0]=4 1749 B17R2.381 C=C(c1ccc(cc1)Cl)c2cccnc2C 271570a_100010171417_100000751574 [0,2,0,0,0,0|2,0,0]=4 1750 B17R2.381 C=C(c1ccc(cc1)Cl)c2cccnc2Cl 271570a_100010171417_100000036424 [0,2,0,0,0,0|2,0,0]=4 1751 B17R2.381 C=C(c1ccc(cc1)Cl)c2cccnc2F 271570a_100010171417_100009816115 [0,2,0,0,0,0|2,0,0]=4 1752 B17R2.381 C=C(c1ccc(cc1)Cl)c2cccnc2N 271570a_100010171417_100000045569 [0,2,0,0,0,0|2,0,0]=4 1753 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccncc2Br 271570a_100010171417_100000726257 [0,2,0,0,0,0|2,0,0]=4 1754 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccncc2C 271570a_100010171417_100015191297 [0,2,0,0,0,0|2,0,0]=4 1755 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccncc2Cl 271570a_100010171417_100000708259 [0,2,0,0,0,0|2,0,0]=4 1756 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccncc2F 271570a_100010171417_100000047030 [0,2,0,0,0,0|2,0,0]=4 1757 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccncc2N 271570a_100010171417_100009815883 [0,2,0,0,0,0|2,0,0]=4 1758 B17R2.381 C=C(c1ccc(cc1)Cl)c2ccncc2O 271570a_100010171417_100009817591 [0,2,0,0,0,0|2,0,0]=4 1759 B17R2.381 C=C(c1ccc(cc1)Cl)c2cnccc2Br 271570a_100010171417_100010138639 [0,2,0,0,0,0|2,0,0]=4 1760 B17R2.381 C=C(c1ccc(cc1)Cl)c2cnccc2C 271570a_100010171417_100000761580 [0,2,0,0,0,0|2,0,0]=4 1761 B17R2.381 C=C(c1ccc(cc1)Cl)c2cnccc2Cl 271570a_100010171417_100009995489 [0,2,0,0,0,0|2,0,0]=4 1762 B17R2.381 C=C(c1ccc(cc1)Cl)c2cnccc2F 271570a_100010171417_100009820683 [0,2,0,0,0,0|2,0,0]=4 1763 B17R2.381 C=C(c1ccc(cc1)Cl)c2cnccc2N 271570a_100010171417_100000047001 [0,2,0,0,0,0|2,0,0]=4 1764 B17R2.381 C=C(c1ccc(cc1)Cl)c2ncccc2Br 271570a_100010171417_100000696092 [0,2,0,0,0,0|2,0,0]=4 1765 B17R2.381 C=C(c1ccc(cc1)Cl)c2ncccc2C 271570a_100010171417_100000751373 [0,2,0,0,0,0|2,0,0]=4 1766 B17R2.381 C=C(c1ccc(cc1)Cl)c2ncccc2Cl 271570a_100010171417_100011356963 [0,2,0,0,0,0|2,0,0]=4 1767 B17R2.381 C=C(c1ccc(cc1)Cl)c2ncccc2F 271570a_100010171417_100000685392 [0,2,0,0,0,0|2,0,0]=4 1768 B17R2.381 C=C(c1ccc(cc1)Cl)c2ncccc2N 271570a_100010171417_100000688686 [0,2,0,0,0,0|2,0,0]=4 1769 B17R2.381 C=C(c1ccc(cc1)Cl)c2ncccc2O 271570a_100010171417_100000034122 [0,2,0,0,0,0|2,0,0]=4 1770 B17R2.381 C=C(c1ccc(cc1)F)c2c[nH]ccc2=O 271570a_100000068270_100009998708 [0,2,0,0,0,0|2,0,0]=4 1771 B17R2.381 C=C(c1ccc(cc1)F)c2c[nH]ccc2=S 271570a_100000068270_200012280681 [0,2,0,0,0,0|2,0,0]=4 1772 B17R2.381 C=C(c1ccc(cc1)F)c2ccc[nH]c2=O 271570a_100000068270_100000050042 [0,2,0,0,0,0|2,0,0]=4 1773 B17R2.381 C=C(c1ccc(cc1)F)c2cccc[n+]2C 271570a_100000068270_100000212160 [0,2,0,0,0,0|2,0,0]=4 1774 B17R2.381 C=C(c1ccc(cc1)F)c2cccc[n+]2[O-] 271570a_100000068270_200000042595 [0,2,0,0,0,0|2,0,0]=4 1775 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2Br 271570a_100000068270_100000695589 [0,2,0,0,0,0|1,0,0]=3 1776 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2C 271570a_100000068270_100000210755 [0,2,0,0,0,0|1,0,0]=3 1777 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2Cl 271570a_100000068270_100000764095 [0,2,0,0,0,0|1,0,0]=3 1778 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2F 271570a_100000068270_100011215700 [0,2,0,0,0,0|1,0,0]=3 1779 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2N 271570a_100000068270_100000210017 [0,2,0,0,0,0|1,0,0]=3 1780 B17R2.381 C=C(c1ccc(cc1)F)c2ccccc2O 271570a_100000068270_100000739446 [0,2,0,0,0,0|1,0,0]=3 1781 B17R2.381 C=C(c1ccc(cc1)F)c2cccnc2Br 271570a_100000068270_100010202626 [0,2,0,0,0,0|2,0,0]=4 1782 B17R2.381 C=C(c1ccc(cc1)F)c2cccnc2C 271570a_100000068270_100000751574 [0,2,0,0,0,0|2,0,0]=4 1783 B17R2.381 C=C(c1ccc(cc1)F)c2cccnc2Cl 271570a_100000068270_100000036424 [0,2,0,0,0,0|2,0,0]=4 1784 B17R2.381 C=C(c1ccc(cc1)F)c2cccnc2F 271570a_100000068270_100009816115 [0,2,0,0,0,0|2,0,0]=4 1785 B17R2.381 C=C(c1ccc(cc1)F)c2cccnc2N 271570a_100000068270_100000045569 [0,2,0,0,0,0|2,0,0]=4 1786 B17R2.381 C=C(c1ccc(cc1)F)c2ccncc2Br 271570a_100000068270_100000726257 [0,2,0,0,0,0|2,0,0]=4 1787 B17R2.381 C=C(c1ccc(cc1)F)c2ccncc2C 271570a_100000068270_100015191297 [0,2,0,0,0,0|2,0,0]=4 1788 B17R2.381 C=C(c1ccc(cc1)F)c2ccncc2Cl 271570a_100000068270_100000708259 [0,2,0,0,0,0|2,0,0]=4 1789 B17R2.381 C=C(c1ccc(cc1)F)c2ccncc2F 271570a_100000068270_100000047030 [0,2,0,0,0,0|2,0,0]=4 1790 B17R2.381 C=C(c1ccc(cc1)F)c2ccncc2N 271570a_100000068270_100009815883 [0,2,0,0,0,0|2,0,0]=4 1791 B17R2.381 C=C(c1ccc(cc1)F)c2ccncc2O 271570a_100000068270_100009817591 [0,2,0,0,0,0|2,0,0]=4 1792 B17R2.381 C=C(c1ccc(cc1)F)c2cnccc2Br 271570a_100000068270_100010138639 [0,2,0,0,0,0|2,0,0]=4 1793 B17R2.381 C=C(c1ccc(cc1)F)c2cnccc2C 271570a_100000068270_100000761580 [0,2,0,0,0,0|2,0,0]=4 1794 B17R2.381 C=C(c1ccc(cc1)F)c2cnccc2Cl 271570a_100000068270_100009995489 [0,2,0,0,0,0|2,0,0]=4 1795 B17R2.381 C=C(c1ccc(cc1)F)c2cnccc2F 271570a_100000068270_100009820683 [0,2,0,0,0,0|2,0,0]=4 1796 B17R2.381 C=C(c1ccc(cc1)F)c2cnccc2N 271570a_100000068270_100000047001 [0,2,0,0,0,0|2,0,0]=4 1797 B17R2.381 C=C(c1ccc(cc1)F)c2ncccc2Br 271570a_100000068270_100000696092 [0,2,0,0,0,0|2,0,0]=4 1798 B17R2.381 C=C(c1ccc(cc1)F)c2ncccc2C 271570a_100000068270_100000751373 [0,2,0,0,0,0|2,0,0]=4 1799 B17R2.381 C=C(c1ccc(cc1)F)c2ncccc2Cl 271570a_100000068270_100011356963 [0,2,0,0,0,0|2,0,0]=4 1800 B17R2.381 C=C(c1ccc(cc1)F)c2ncccc2F 271570a_100000068270_100000685392 [0,2,0,0,0,0|2,0,0]=4 1801 B17R2.381 C=C(c1ccc(cc1)F)c2ncccc2N 271570a_100000068270_100000688686 [0,2,0,0,0,0|2,0,0]=4 1802 B17R2.381 C=C(c1ccc(cc1)F)c2ncccc2O 271570a_100000068270_100000034122 [0,2,0,0,0,0|2,0,0]=4 1803 B17R2.381 Cc1ccccc1C(=O)c2ccc(cc2)O 271570a_203496583355_200011267734 [0,2,0,0,0,0|0,0,0]=2 1804 B17R2.381 Nc1ccccc1C(=O)c2ccc(cc2)O 271570a_203496583355_100012047229 [0,2,0,0,0,0|0,0,0]=2 1805 B17R2.381 O=C(c1ccc(cc1)F)c2ccccc2O 271570a_203496583355_100011267497 [0,2,0,0,0,0|0,0,0]=2 1806 B17R2.5362 C=C(c1ccccc1)c2c[nH]c(=O)cc2F 271570a_100000068269_100015631685 [0,2,0,0,0,0|2,0,0]=4 1807 B17R2.5362 C=C(c1ccccc1)c2cc[n+](cc2C)[O-] 271570a_100000068269_100000074940 [0,2,0,0,0,0|2,0,0]=4 1808 B17R2.5362 C=C(c1ccccc1)c2ccc(=O)[nH]c2N 271570a_100000068269_100009884077 [0,2,0,0,0,0|2,0,0]=4 1809 B17R2.5362 C=C(c1ccccc1)c2ccc(c[n+]2[O-])C 271570a_100000068269_100009819918 [0,2,0,0,0,0|2,0,0]=4 1810 B17R2.5362 C=C(c1ccccc1)c2ccc(c[n+]2[O-])F 271570a_100000068269_100009817261 [0,2,0,0,0,0|2,0,0]=4 1811 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)Br 271570a_100000068269_100011484698 [0,2,0,0,0,0|1,0,0]=3 1812 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)C 271570a_100000068269_100009813563 [0,2,0,0,0,0|1,0,0]=3 1813 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)Cl 271570a_100000068269_100011219703 [0,2,0,0,0,0|1,0,0]=3 1814 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)F 271570a_100000068269_100011217111 [0,2,0,0,0,0|1,0,0]=3 1815 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)N 271570a_100000068269_100000750458 [0,2,0,0,0,0|1,0,0]=3 1816 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Br)O 271570a_100000068269_100000701344 [0,2,0,0,0,0|1,0,0]=3 1817 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)Br 271570a_100000068269_100000701812 [0,2,0,0,0,0|1,0,0]=3 1818 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)C 271570a_100000068269_100011217332 [0,2,0,0,0,0|1,0,0]=3 1819 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)Cl 271570a_100000068269_100011219607 [0,2,0,0,0,0|1,0,0]=3 1820 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)F 271570a_100000068269_100011205405 [0,2,0,0,0,0|1,0,0]=3 1821 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)N 271570a_100000068269_100000210723 [0,2,0,0,0,0|1,0,0]=3 1822 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2C)O 271570a_100000068269_100000729255 [0,2,0,0,0,0|1,0,0]=3 1823 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)Br 271570a_100000068269_100011216062 [0,2,0,0,0,0|1,0,0]=3 1824 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)C 271570a_100000068269_100011263221 [0,2,0,0,0,0|1,0,0]=3 1825 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)Cl 271570a_100000068269_100000699841 [0,2,0,0,0,0|1,0,0]=3 1826 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)F 271570a_100000068269_100000733362 [0,2,0,0,0,0|1,0,0]=3 1827 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)N 271570a_100000068269_100000761885 [0,2,0,0,0,0|1,0,0]=3 1828 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2Cl)O 271570a_100000068269_100000047559 [0,2,0,0,0,0|1,0,0]=3 1829 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)Br 271570a_100000068269_100009814013 [0,2,0,0,0,0|1,0,0]=3 1830 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)C 271570a_100000068269_100011216119 [0,2,0,0,0,0|1,0,0]=3 1831 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)Cl 271570a_100000068269_100011216042 [0,2,0,0,0,0|1,0,0]=3 1832 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)F 271570a_100000068269_100000750030 [0,2,0,0,0,0|1,0,0]=3 1833 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)N 271570a_100000068269_100011356925 [0,2,0,0,0,0|1,0,0]=3 1834 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2F)O 271570a_100000068269_100000755031 [0,2,0,0,0,0|1,0,0]=3 1835 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)Br 271570a_100000068269_100000743836 [0,2,0,0,0,0|1,0,0]=3 1836 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)C 271570a_100000068269_100011216686 [0,2,0,0,0,0|1,0,0]=3 1837 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)Cl 271570a_100000068269_100000761886 [0,2,0,0,0,0|1,0,0]=3 1838 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)F 271570a_100000068269_100011218093 [0,2,0,0,0,0|1,0,0]=3 1839 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)N 271570a_100000068269_200012175722 [0,2,0,0,0,0|1,0,0]=3 1840 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2N)O 271570a_100000068269_100011999798 [0,2,0,0,0,0|1,0,0]=3 1841 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)Br 271570a_100000068269_100012344904 [0,2,0,0,0,0|1,0,0]=3 1842 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)C 271570a_100000068269_100012002257 [0,2,0,0,0,0|1,0,0]=3 1843 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)Cl 271570a_100000068269_100000050036 [0,2,0,0,0,0|1,0,0]=3 1844 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)F 271570a_100000068269_100000690578 [0,2,0,0,0,0|1,0,0]=3 1845 B17R2.5362 C=C(c1ccccc1)c2ccc(cc2O)O 271570a_100000068269_100009813921 [0,2,0,0,0,0|1,0,0]=3 1846 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2Br)N 271570a_100000068269_100010734177 [0,2,0,0,0,0|2,0,0]=4 1847 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2C)C 271570a_100000068269_100009813853 [0,2,0,0,0,0|2,0,0]=4 1848 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2C)Cl 271570a_100000068269_100000062408 [0,2,0,0,0,0|2,0,0]=4 1849 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2C)F 271570a_100000068269_100000688911 [0,2,0,0,0,0|2,0,0]=4 1850 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2C)N 271570a_100000068269_100000013003 [0,2,0,0,0,0|2,0,0]=4 1851 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2C)O 271570a_100000068269_100000691680 [0,2,0,0,0,0|2,0,0]=4 1852 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2Cl)Br 271570a_100000068269_100010246183 [0,2,0,0,0,0|2,0,0]=4 1853 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2Cl)N 271570a_100000068269_100010270343 [0,2,0,0,0,0|2,0,0]=4 1854 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2F)C 271570a_100000068269_100010006597 [0,2,0,0,0,0|2,0,0]=4 1855 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2F)Cl 271570a_100000068269_100010168078 [0,2,0,0,0,0|2,0,0]=4 1856 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2F)F 271570a_100000068269_100000070099 [0,2,0,0,0,0|2,0,0]=4 1857 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2F)N 271570a_100000068269_100009882772 [0,2,0,0,0,0|2,0,0]=4 1858 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2F)O 271570a_100000068269_100009879308 [0,2,0,0,0,0|2,0,0]=4 1859 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2N)C 271570a_100000068269_100009816662 [0,2,0,0,0,0|2,0,0]=4 1860 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2N)Cl 271570a_100000068269_100010171640 [0,2,0,0,0,0|2,0,0]=4 1861 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2N)F 271570a_100000068269_100009854977 [0,2,0,0,0,0|2,0,0]=4 1862 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2N)N 271570a_100000068269_100011356871 [0,2,0,0,0,0|2,0,0]=4 1863 B17R2.5362 C=C(c1ccccc1)c2ccc(nc2O)C 271570a_100000068269_100009817604 [0,2,0,0,0,0|2,0,0]=4 1864 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2Br)F 271570a_100000068269_100015451857 [0,2,0,0,0,0|2,0,0]=4 1865 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2Br)N 271570a_100000068269_100010074611 [0,2,0,0,0,0|2,0,0]=4 1866 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2C)Br 271570a_100000068269_100009816104 [0,2,0,0,0,0|2,0,0]=4 1867 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2C)C 271570a_100000068269_100009819613 [0,2,0,0,0,0|2,0,0]=4 1868 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2C)Cl 271570a_100000068269_100010172789 [0,2,0,0,0,0|2,0,0]=4 1869 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2C)F 271570a_100000068269_100009820716 [0,2,0,0,0,0|2,0,0]=4 1870 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2C)N 271570a_100000068269_100000050067 [0,2,0,0,0,0|2,0,0]=4 1871 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2C)O 271570a_100000068269_100010114363 [0,2,0,0,0,0|2,0,0]=4 1872 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2Cl)Br 271570a_100000068269_100010381092 [0,2,0,0,0,0|2,0,0]=4 1873 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2Cl)Cl 271570a_100000068269_100010200927 [0,2,0,0,0,0|2,0,0]=4 1874 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2Cl)N 271570a_100000068269_100000694920 [0,2,0,0,0,0|2,0,0]=4 1875 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2F)Cl 271570a_100000068269_100010128100 [0,2,0,0,0,0|2,0,0]=4 1876 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2F)N 271570a_100000068269_100009844730 [0,2,0,0,0,0|2,0,0]=4 1877 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2N)C 271570a_100000068269_100009817891 [0,2,0,0,0,0|2,0,0]=4 1878 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2N)N 271570a_100000068269_200009857908 [0,2,0,0,0,0|2,0,0]=4 1879 B17R2.5362 C=C(c1ccccc1)c2cnc(cc2O)C 271570a_100000068269_100011016184 [0,2,0,0,0,0|2,0,0]=4 1880 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2Br)Cl 271570a_100000068269_100012154958 [0,2,0,0,0,0|2,0,0]=4 1881 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2C)Br 271570a_100000068269_100012353652 [0,2,0,0,0,0|2,0,0]=4 1882 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2C)C 271570a_100000068269_100009864548 [0,2,0,0,0,0|2,0,0]=4 1883 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2C)F 271570a_100000068269_100009817009 [0,2,0,0,0,0|2,0,0]=4 1884 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2C)N 271570a_100000068269_100000761747 [0,2,0,0,0,0|2,0,0]=4 1885 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2C)O 271570a_100000068269_100012000486 [0,2,0,0,0,0|2,0,0]=4 1886 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2F)Br 271570a_100000068269_100012348576 [0,2,0,0,0,0|2,0,0]=4 1887 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2F)C 271570a_100000068269_100009819633 [0,2,0,0,0,0|2,0,0]=4 1888 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2F)Cl 271570a_100000068269_100012348686 [0,2,0,0,0,0|2,0,0]=4 1889 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2F)F 271570a_100000068269_100011219543 [0,2,0,0,0,0|2,0,0]=4 1890 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2F)N 271570a_100000068269_100010280766 [0,2,0,0,0,0|2,0,0]=4 1891 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2F)O 271570a_100000068269_100000063512 [0,2,0,0,0,0|2,0,0]=4 1892 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2N)Br 271570a_100000068269_100010090555 [0,2,0,0,0,0|2,0,0]=4 1893 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2N)C 271570a_100000068269_100000733613 [0,2,0,0,0,0|2,0,0]=4 1894 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2N)F 271570a_100000068269_100009817643 [0,2,0,0,0,0|2,0,0]=4 1895 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2N)N 271570a_100000068269_200000093520 [0,2,0,0,0,0|2,0,0]=4 1896 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2O)Br 271570a_100000068269_100010210634 [0,2,0,0,0,0|2,0,0]=4 1897 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2O)C 271570a_100000068269_100012000487 [0,2,0,0,0,0|2,0,0]=4 1898 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2O)Cl 271570a_100000068269_100010233512 [0,2,0,0,0,0|2,0,0]=4 1899 B17R2.5362 C=C(c1ccccc1)c2ncc(cc2O)F 271570a_100000068269_100000079967 [0,2,0,0,0,0|2,0,0]=4 1900 B17R2.159 CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210202 [0,2,0,0,0,0|1,0,1]=4 1901 B17R2.159 CCNC(c1ccccc1)c2ccccc2 2230a_100015525214_100000211591 [0,2,0,0,0,0|1,0,1]=4 1902 B17R2.159 CCNC(c1ccccc1)c2ccccc2 270004a_100015525214_100000210122 [0,2,0,0,0,0|1,0,1]=4 1903 B17R2.159 CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210202 [0,2,0,0,0,0|1,0,1]=4 1904 B17R2.159 CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210202 [0,2,0,0,0,0|0,0,2]=4 1905 B17R2.159 CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210202 [0,2,0,0,0,0|0,0,2]=4 1906 B17R2.159 CCSC(c1ccccc1)c2ccccc2 62a_100000210202_100011216954 [0,2,0,0,0,0|0,1,1]=4 1907 B17R2.159 CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210202 [0,2,0,0,0,0|0,1,1]=4 1908 B17R2.159 CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_200000210301 [0,2,0,0,0,0|1,0,1]=4 1909 B17R2.159 CNCC(c1ccccc1)c2ccccc2 34a_100000739227_200000210301 [0,2,0,0,0,0|1,0,1]=4 1910 B17R2.159 COCC(c1ccccc1)c2ccccc2 34a_100011215272_200000210301 [0,2,0,0,0,0|0,0,2]=4 1911 B17R2.159 COCC(c1ccccc1)c2ccccc2 7a_100011215272_200000210301 [0,2,0,0,0,0|0,0,2]=4 1912 B17R2.159 FCNC(c1ccccc1)c2ccccc2 34a_100000162943_100015361967 [0,2,0,0,0,0|1,0,1]=4 1913 B17R2.159 FCOC(c1ccccc1)c2ccccc2 34a_100000211180_100015361967 [0,2,0,0,0,0|0,0,2]=4 1914 B17R2.159 FCOC(c1ccccc1)c2ccccc2 7a_100000211180_100015361967 [0,2,0,0,0,0|0,0,2]=4 1915 B17R2.159 FCSC(c1ccccc1)c2ccccc2 62a_100000211591_100015361967 [0,2,0,0,0,0|0,1,1]=4 1916 B17R2.159 FCSC(c1ccccc1)c2ccccc2 62a_100015361967_100011216954 [0,2,0,0,0,0|0,1,1]=4 1917 B17R2.159 [13CH3]NCC(c1ccccc1)c2ccccc2 2230a_100000739227_200025704644 [0,2,0,0,0,0|1,0,1]=4 1918 B17R2.159 [13CH3]NCC(c1ccccc1)c2ccccc2 34a_100000739227_200025704644 [0,2,0,0,0,0|1,0,1]=4 1919 B17R2.159 [13CH3]OCC(c1ccccc1)c2ccccc2 34a_100011215272_200025704644 [0,2,0,0,0,0|0,0,2]=4 1920 B17R2.159 [13CH3]OCC(c1ccccc1)c2ccccc2 7a_100011215272_200025704644 [0,2,0,0,0,0|0,0,2]=4 1921 B17R2.288 CNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_200000210301 [0,2,0,0,0,0|1,0,1]=4 1922 B17R2.288 CNC(c1ccccc1)c2cccc(c2)Br 270004a_106832991635_100011267660 [0,2,0,0,0,0|1,0,1]=4 1923 B17R2.288 CNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_200000210301 [0,2,0,0,0,0|1,0,1]=4 1924 B17R2.288 CNC(c1ccccc1)c2cccc(c2)C 270004a_106832991635_100011217825 [0,2,0,0,0,0|1,0,1]=4 1925 B17R2.288 CNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_200000210301 [0,2,0,0,0,0|1,0,1]=4 1926 B17R2.288 CNC(c1ccccc1)c2cccc(c2)Cl 270004a_106832991635_100011215489 [0,2,0,0,0,0|1,0,1]=4 1927 B17R2.288 CNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_200000210301 [0,2,0,0,0,0|1,0,1]=4 1928 B17R2.288 CNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_200000210301 [0,2,0,0,0,0|1,0,1]=4 1929 B17R2.288 CNC(c1ccccc1)c2cccc(c2)F 270004a_106832991635_200011219850 [0,2,0,0,0,0|1,0,1]=4 1930 B17R2.288 CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_200000210301 [0,2,0,0,0,0|1,0,1]=4 1931 B17R2.288 COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_200000210301 [0,2,0,0,0,0|0,0,2]=4 1932 B17R2.288 COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_200000210301 [0,2,0,0,0,0|0,0,2]=4 1933 B17R2.288 COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_200000210301 [0,2,0,0,0,0|0,0,2]=4 1934 B17R2.288 COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_200000210301 [0,2,0,0,0,0|0,0,2]=4 1935 B17R2.288 [13CH3]NC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_200025704644 [0,2,0,0,0,0|1,0,1]=4 1936 B17R2.288 [13CH3]NC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_200025704644 [0,2,0,0,0,0|1,0,1]=4 1937 B17R2.288 [13CH3]NC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_200025704644 [0,2,0,0,0,0|1,0,1]=4 1938 B17R2.288 [13CH3]NC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_200025704644 [0,2,0,0,0,0|1,0,1]=4 1939 B17R2.288 [13CH3]NC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_200025704644 [0,2,0,0,0,0|1,0,1]=4 1940 B17R2.288 [13CH3]NC(c1ccccc1)c2cccc(c2)F 34a_100000686443_200025704644 [0,2,0,0,0,0|1,0,1]=4 1941 B17R2.288 [13CH3]OC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_200025704644 [0,2,0,0,0,0|0,0,2]=4 1942 B17R2.288 [13CH3]OC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_200025704644 [0,2,0,0,0,0|0,0,2]=4 1943 B17R2.288 [13CH3]OC(c1ccccc1)c2cccc(c2)F 34a_100000749007_200025704644 [0,2,0,0,0,0|0,0,2]=4 1944 B17R2.288 [13CH3]OC(c1ccccc1)c2cccc(c2)F 7a_100000749007_200025704644 [0,2,0,0,0,0|0,0,2]=4 1945 B17R2.2274 CNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_200000210301 [0,2,0,0,0,0|1,0,1]=4 1946 B17R2.2274 CNC(c1ccccc1)c2ccccc2Br 270004a_106832991635_100000198044 [0,2,0,0,0,0|1,0,1]=4 1947 B17R2.2274 CNC(c1ccccc1)c2ccccc2Br 34a_100011211563_200000210301 [0,2,0,0,0,0|1,0,1]=4 1948 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 2230a_100000222801_200000210301 [0,2,0,0,0,0|1,0,1]=4 1949 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 2230a_106832991635_100000230135 [0,2,0,0,0,0|1,0,1]=4 1950 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 270004a_106832991635_100000735561 [0,2,0,0,0,0|1,0,1]=4 1951 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 34a_100000222801_200000210301 [0,2,0,0,0,0|1,0,1]=4 1952 B17R2.2274 CNC(c1ccccc1)c2ccccc2C 7a_106832991635_100000230135 [0,2,0,0,0,0|1,0,1]=4 1953 B17R2.2274 CNC(c1ccccc1)c2ccccc2Cl 270004a_106832991635_100011215288 [0,2,0,0,0,0|1,0,1]=4 1954 B17R2.2274 CNC(c1ccccc1)c2ccccc2F 270004a_106832991635_100011217773 [0,2,0,0,0,0|1,0,1]=4 1955 B17R2.2274 COC(c1ccccc1)c2ccccc2C 34a_100000212071_200000210301 [0,2,0,0,0,0|0,0,2]=4 1956 B17R2.2274 COC(c1ccccc1)c2ccccc2C 7a_100000212071_200000210301 [0,2,0,0,0,0|0,0,2]=4 1957 B17R2.2274 COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_200000210301 [0,2,0,0,0,0|0,0,2]=4 1958 B17R2.2274 COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_200000210301 [0,2,0,0,0,0|0,0,2]=4 1959 B17R2.2274 COC(c1ccccc1)c2ccccc2N 34a_100000246470_200000210301 [0,2,0,0,0,0|0,0,2]=4 1960 B17R2.2274 COC(c1ccccc1)c2ccccc2N 7a_100000246470_200000210301 [0,2,0,0,0,0|0,0,2]=4 1961 B17R2.2274 CSC(c1ccccc1)c2ccccc2C 62a_100000230135_200000210301 [0,2,0,0,0,0|0,1,1]=4 1962 B17R2.2274 CSC(c1ccccc1)c2ccccc2C 62a_200000210301_100000230135 [0,2,0,0,0,0|0,1,1]=4 1963 B17R2.2274 Cc1ccccc1C(N[13CH3])c2ccccc2 2230a_100000222801_200025704644 [0,2,0,0,0,0|1,0,1]=4 1964 B17R2.2274 Cc1ccccc1C(N[13CH3])c2ccccc2 34a_100000222801_200025704644 [0,2,0,0,0,0|1,0,1]=4 1965 B17R2.2274 Cc1ccccc1C(O[13CH3])c2ccccc2 34a_100000212071_200025704644 [0,2,0,0,0,0|0,0,2]=4 1966 B17R2.2274 Cc1ccccc1C(O[13CH3])c2ccccc2 7a_100000212071_200025704644 [0,2,0,0,0,0|0,0,2]=4 1967 B17R2.2274 Cc1ccccc1C(S[13CH3])c2ccccc2 62a_100000230135_200025704644 [0,2,0,0,0,0|0,1,1]=4 1968 B17R2.2274 Cc1ccccc1C(S[13CH3])c2ccccc2 62a_200025704644_100000230135 [0,2,0,0,0,0|0,1,1]=4 1969 B17R2.2274 [13CH3]NC(c1ccccc1)c2ccccc2Br 2230a_100011211563_200025704644 [0,2,0,0,0,0|1,0,1]=4 1970 B17R2.2274 [13CH3]NC(c1ccccc1)c2ccccc2Br 34a_100011211563_200025704644 [0,2,0,0,0,0|1,0,1]=4 1971 B17R2.2274 [13CH3]OC(c1ccccc1)c2ccccc2Cl 34a_200011400577_200025704644 [0,2,0,0,0,0|0,0,2]=4 1972 B17R2.2274 [13CH3]OC(c1ccccc1)c2ccccc2Cl 7a_200011400577_200025704644 [0,2,0,0,0,0|0,0,2]=4 1973 B17R2.2274 [13CH3]OC(c1ccccc1)c2ccccc2N 34a_100000246470_200025704644 [0,2,0,0,0,0|0,0,2]=4 1974 B17R2.2274 [13CH3]OC(c1ccccc1)c2ccccc2N 7a_100000246470_200025704644 [0,2,0,0,0,0|0,0,2]=4 1975 B17R2.2712 CC(O[13CH3])(c1ccccc1)c2ccccc2 7a_100011202337_200025704644 [0,2,0,0,0,0|0,0,2]=4 1976 B17R2.2712 COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_200000210301 [0,2,0,0,0,0|0,0,2]=4 1977 B17R2.5711 CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000070787_100011216954 [0,2,0,0,0,0|0,0,1]=3 1978 B17R2.5711 CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_200000210301 [0,2,0,0,0,0|0,0,1]=3 1979 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 2230a_100102631434_100000211591 [0,2,0,0,0,0|1,0,1]=4 1980 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_200000210301 [0,2,0,0,0,0|1,0,1]=4 1981 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 269982a_100102631434_100000211591 [0,2,0,0,0,0|1,0,1]=4 1982 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_200000210301 [0,2,0,0,0,0|1,0,1]=4 1983 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 270004a_100102631434_100000210122 [0,2,0,0,0,0|1,0,1]=4 1984 B17R2.5711 CN([13CH3])C(c1ccccc1)c2ccccc2 2230a_100103148541_200025704644 [0,2,0,0,0,0|1,0,1]=4 1985 B17R2.5711 CN([13CH3])C(c1ccccc1)c2ccccc2 269982a_100103148541_200025704644 [0,2,0,0,0,0|1,0,1]=4 1986 B17R2.5711 [13CH3]C(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_200025704644 [0,2,0,0,0,0|0,0,1]=3 1987 B17R2.1797 C=C(c1ccccc1)c2cc(ccn2)C#N 271570a_100000068269_100011291639 [0,2,0,0,0,0|2,0,0]=4 1988 B17R2.1797 C=C(c1ccccc1)c2cc(ccn2)C=O 271570a_100000068269_100011290808 [0,2,0,0,0,0|2,0,0]=4 1989 B17R2.1797 C=C(c1ccccc1)c2cc(ccn2)CC 271570a_100000068269_100009817561 [0,2,0,0,0,0|2,0,0]=4 1990 B17R2.1797 C=C(c1ccccc1)c2cc(ccn2)CO 271570a_100000068269_100009814636 [0,2,0,0,0,0|2,0,0]=4 1991 B17R2.1797 C=C(c1ccccc1)c2cc(ccn2)NC 271570a_100000068269_100009869472 [0,2,0,0,0,0|2,0,0]=4 1992 B17R2.1797 C=C(c1ccccc1)c2cc(ccn2)OC 271570a_100000068269_100011216251 [0,2,0,0,0,0|2,0,0]=4 1993 B17R2.1797 C=C(c1ccccc1)c2cc(ccn2)SC 271570a_100000068269_100010883326 [0,2,0,0,0,0|2,0,0]=4 1994 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)C#N 271570a_100000068269_100000189340 [0,2,0,0,0,0|1,0,0]=3 1995 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)C=O 271570a_100000068269_100000014684 [0,2,0,0,0,0|1,0,0]=3 1996 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)CC 271570a_100000068269_100000684523 [0,2,0,0,0,0|1,0,0]=3 1997 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)CF 271570a_100000068269_100010878472 [0,2,0,0,0,0|1,0,0]=3 1998 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)CN 271570a_100000068269_100000106179 [0,2,0,0,0,0|1,0,0]=3 1999 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)CO 271570a_100000068269_100000687537 [0,2,0,0,0,0|1,0,0]=3 2000 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)NC 271570a_100000068269_100000219648 [0,2,0,0,0,0|1,0,0]=3 2001 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)NN 271570a_100000068269_100000217339 [0,2,0,0,0,0|1,0,0]=3 2002 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)OC 271570a_100000068269_100000170001 [0,2,0,0,0,0|1,0,0]=3 2003 B17R2.1797 C=C(c1ccccc1)c2cccc(c2)SC 271570a_100000068269_100011215954 [0,2,0,0,0,0|1,0,0]=3 2004 B17R2.1797 C=C(c1ccccc1)c2cccc(n2)C#N 271570a_100000068269_100011934037 [0,2,0,0,0,0|2,0,0]=4 2005 B17R2.1797 C=C(c1ccccc1)c2cccc(n2)C=O 271570a_100000068269_100000688028 [0,2,0,0,0,0|2,0,0]=4 2006 B17R2.1797 C=C(c1ccccc1)c2cccc(n2)CC 271570a_100000068269_100009856026 [0,2,0,0,0,0|2,0,0]=4 2007 B17R2.1797 C=C(c1ccccc1)c2cccc(n2)CN 271570a_100000068269_100016990191 [0,2,0,0,0,0|2,0,0]=4 2008 B17R2.1797 C=C(c1ccccc1)c2cccc(n2)CO 271570a_100000068269_100000694195 [0,2,0,0,0,0|2,0,0]=4 2009 B17R2.1797 C=C(c1ccccc1)c2cccc(n2)NC 271570a_100000068269_100000703281 [0,2,0,0,0,0|2,0,0]=4 2010 B17R2.1797 C=C(c1ccccc1)c2cccc(n2)NN 271570a_100000068269_100009817029 [0,2,0,0,0,0|2,0,0]=4 2011 B17R2.1797 C=C(c1ccccc1)c2cccc(n2)OC 271570a_100000068269_100000760917 [0,2,0,0,0,0|2,0,0]=4 2012 B17R2.1797 C=C(c1ccccc1)c2cccc(n2)SC 271570a_100000068269_100011960944 [0,2,0,0,0,0|2,0,0]=4 2013 B17R2.1797 C=C(c1ccccc1)c2ccnc(c2)C#N 271570a_100000068269_100000685610 [0,2,0,0,0,0|2,0,0]=4 2014 B17R2.1797 C=C(c1ccccc1)c2ccnc(c2)C=O 271570a_100000068269_100011998288 [0,2,0,0,0,0|2,0,0]=4 2015 B17R2.1797 C=C(c1ccccc1)c2ccnc(c2)CC 271570a_100000068269_100009820011 [0,2,0,0,0,0|2,0,0]=4 2016 B17R2.1797 C=C(c1ccccc1)c2ccnc(c2)CN 271570a_100000068269_100000085674 [0,2,0,0,0,0|2,0,0]=4 2017 B17R2.1797 C=C(c1ccccc1)c2ccnc(c2)CO 271570a_100000068269_100009819072 [0,2,0,0,0,0|2,0,0]=4 2018 B17R2.1797 C=C(c1ccccc1)c2ccnc(c2)NC 271570a_100000068269_100009819592 [0,2,0,0,0,0|2,0,0]=4 2019 B17R2.1797 C=C(c1ccccc1)c2ccnc(c2)NN 271570a_100000068269_100000764631 [0,2,0,0,0,0|2,0,0]=4 2020 B17R2.1797 C=C(c1ccccc1)c2ccnc(c2)OC 271570a_100000068269_100000117307 [0,2,0,0,0,0|2,0,0]=4 2021 B17R2.1797 C=C(c1ccccc1)c2cncc(c2)C#N 271570a_100000068269_100000686085 [0,2,0,0,0,0|2,0,0]=4 2022 B17R2.1797 C=C(c1ccccc1)c2cncc(c2)C=O 271570a_100000068269_100000687066 [0,2,0,0,0,0|2,0,0]=4 2023 B17R2.1797 C=C(c1ccccc1)c2cncc(c2)CC 271570a_100000068269_200009819073 [0,2,0,0,0,0|2,0,0]=4 2024 B17R2.1797 C=C(c1ccccc1)c2cncc(c2)CN 271570a_100000068269_100011249555 [0,2,0,0,0,0|2,0,0]=4 2025 B17R2.1797 C=C(c1ccccc1)c2cncc(c2)CO 271570a_100000068269_100011259137 [0,2,0,0,0,0|2,0,0]=4 2026 B17R2.1797 C=C(c1ccccc1)c2cncc(c2)NC 271570a_100000068269_100012184536 [0,2,0,0,0,0|2,0,0]=4 2027 B17R2.1797 C=C(c1ccccc1)c2cncc(c2)NN 271570a_100000068269_100000727789 [0,2,0,0,0,0|2,0,0]=4 2028 B17R2.1797 C=C(c1ccccc1)c2cncc(c2)OC 271570a_100000068269_100000684773 [0,2,0,0,0,0|2,0,0]=4 2029 B17R2.1797 C=C(c1ccccc1)c2cncc(c2)SC 271570a_100000068269_100009816972 [0,2,0,0,0,0|2,0,0]=4 2030 B17R2.1797 C=Cc1cccc(c1)C(=O)c2ccccc2 271570a_100011290941_100011267660 [0,2,0,0,0,0|0,0,0]=2 2031 B17R2.1797 C=Cc1cccc(c1)C(N)c2ccccc2 271570a_100011290941_100011212009 [0,2,0,0,0,0|1,0,1]=4 2032 B17R2.1797 C=Cc1cncc(c1)C(=O)c2ccccc2 271570a_100011290941_100011267668 [0,2,0,0,0,0|1,0,0]=3 2033 B17R2.1797 COc1cccc(c1)C(=O)c2ccccc2 34a_100000032423_200000210301 [0,2,0,0,0,0|0,0,0]=2 2034 B17R2.1797 COc1cccc(c1)C(=O)c2ccccc2 7a_100000032423_200000210301 [0,2,0,0,0,0|0,0,0]=2 2035 B17R2.1797 CSc1cccc(c1)C(=O)c2ccccc2 62a_100011267660_200000210301 [0,2,0,0,0,0|0,0,0]=2 2036 B17R2.1797 CSc1cccc(c1)C(=O)c2ccccc2 62a_200000210301_100011267660 [0,2,0,0,0,0|0,0,0]=2 2037 B17R2.1797 CSc1cccc(c1)C(N)c2ccccc2 62a_100011212009_200000210301 [0,2,0,0,0,0|1,0,1]=4 2038 B17R2.1797 CSc1cccc(c1)C(N)c2ccccc2 62a_200000210301_100011212009 [0,2,0,0,0,0|1,0,1]=4 2039 B17R2.1797 CSc1cncc(c1)C(=O)c2ccccc2 62a_100011267668_200000210301 [0,2,0,0,0,0|1,0,0]=3 2040 B17R2.1797 CSc1cncc(c1)C(=O)c2ccccc2 62a_200000210301_100011267668 [0,2,0,0,0,0|1,0,0]=3 2041 B17R2.1797 [13CH3]Oc1cccc(c1)C(=O)c2ccccc2 34a_100000032423_200025704644 [0,2,0,0,0,0|0,0,0]=2 2042 B17R2.1797 [13CH3]Oc1cccc(c1)C(=O)c2ccccc2 7a_100000032423_200025704644 [0,2,0,0,0,0|0,0,0]=2 2043 B17R2.1797 [13CH3]Sc1cccc(c1)C(=O)c2ccccc2 62a_100011267660_200025704644 [0,2,0,0,0,0|0,0,0]=2 2044 B17R2.1797 [13CH3]Sc1cccc(c1)C(=O)c2ccccc2 62a_200025704644_100011267660 [0,2,0,0,0,0|0,0,0]=2 2045 B17R2.1797 [13CH3]Sc1cccc(c1)C(N)c2ccccc2 62a_100011212009_200025704644 [0,2,0,0,0,0|1,0,1]=4 2046 B17R2.1797 [13CH3]Sc1cccc(c1)C(N)c2ccccc2 62a_200025704644_100011212009 [0,2,0,0,0,0|1,0,1]=4 2047 B17R2.1797 [13CH3]Sc1cncc(c1)C(=O)c2ccccc2 62a_100011267668_200025704644 [0,2,0,0,0,0|1,0,0]=3 2048 B17R2.1797 [13CH3]Sc1cncc(c1)C(=O)c2ccccc2 62a_200025704644_100011267668 [0,2,0,0,0,0|1,0,0]=3 2049 B17R2.3218 C=C(c1ccccc1)c2cc([nH]c(=O)c2)C 271570a_100000068269_100009861981 [0,2,0,0,0,0|2,0,0]=4 2050 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Br)Br 271570a_100000068269_100009814770 [0,2,0,0,0,0|1,0,0]=3 2051 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Br)Cl 271570a_100000068269_100009814755 [0,2,0,0,0,0|1,0,0]=3 2052 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Br)F 271570a_100000068269_100009814764 [0,2,0,0,0,0|1,0,0]=3 2053 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Br)N 271570a_100000068269_100009814763 [0,2,0,0,0,0|1,0,0]=3 2054 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Br)O 271570a_100000068269_100010068917 [0,2,0,0,0,0|1,0,0]=3 2055 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)C)C 271570a_100000068269_100011215608 [0,2,0,0,0,0|1,0,0]=3 2056 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Cl)C 271570a_100000068269_100010172791 [0,2,0,0,0,0|1,0,0]=3 2057 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Cl)Cl 271570a_100000068269_100000747138 [0,2,0,0,0,0|1,0,0]=3 2058 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Cl)F 271570a_100000068269_100013859453 [0,2,0,0,0,0|1,0,0]=3 2059 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Cl)N 271570a_100000068269_100010147676 [0,2,0,0,0,0|1,0,0]=3 2060 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)Cl)O 271570a_100000068269_100010068924 [0,2,0,0,0,0|1,0,0]=3 2061 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)F)C 271570a_100000068269_100011356977 [0,2,0,0,0,0|1,0,0]=3 2062 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)F)F 271570a_100000068269_100011218498 [0,2,0,0,0,0|1,0,0]=3 2063 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)F)N 271570a_100000068269_100011356972 [0,2,0,0,0,0|1,0,0]=3 2064 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)F)O 271570a_100000068269_100000717995 [0,2,0,0,0,0|1,0,0]=3 2065 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)N)C 271570a_100000068269_100000695972 [0,2,0,0,0,0|1,0,0]=3 2066 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)N)N 271570a_100000068269_100011999608 [0,2,0,0,0,0|1,0,0]=3 2067 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)O)C 271570a_100000068269_100011999630 [0,2,0,0,0,0|1,0,0]=3 2068 B17R2.3218 C=C(c1ccccc1)c2cc(cc(c2)O)O 271570a_100000068269_100009868816 [0,2,0,0,0,0|1,0,0]=3 2069 B17R2.3218 C=C(c1ccccc1)c2cc(cc(n2)C)C 271570a_100000068269_100000069240 [0,2,0,0,0,0|2,0,0]=4 2070 B17R2.3218 C=C(c1ccccc1)c2cc(cc(n2)F)C 271570a_100000068269_100009819601 [0,2,0,0,0,0|2,0,0]=4 2071 B17R2.3218 C=C(c1ccccc1)c2cc(cc(n2)N)C 271570a_100000068269_100009819863 [0,2,0,0,0,0|2,0,0]=4 2072 B17R2.3218 C=C(c1ccccc1)c2cc(nc(c2)C)C 271570a_100000068269_100009816552 [0,2,0,0,0,0|2,0,0]=4 2073 B17R2.3218 C=C(c1ccccc1)c2cc(nc(c2)F)C 271570a_100000068269_100010006595 [0,2,0,0,0,0|2,0,0]=4 2074 B17R2.3218 C=C(c1ccccc1)c2cc(nc(c2)F)F 271570a_100000068269_100000049587 [0,2,0,0,0,0|2,0,0]=4 2075 B17R2.3218 C=C(c1ccccc1)c2cc(nc(c2)N)C 271570a_100000068269_100000076705 [0,2,0,0,0,0|2,0,0]=4 2076 B17R2.3218 C=C(c1ccccc1)c2cc(nc(c2)N)N 271570a_100000068269_100009816676 [0,2,0,0,0,0|2,0,0]=4 2077 B17R2.5272 O=C(c1cccc(c1)O)c2cccc(c2)F 271570a_203496583355_100000687359 [0,2,0,0,0,0|0,0,0]=2 2078 B17R2.5305 C=C(c1ccccc1)c2cccc(=O)n2C 271570a_100000068269_100000726605 [0,2,0,0,0,0|2,0,0]=4 2079 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Br)O 271570a_100000068269_100010187914 [0,2,0,0,0,0|1,0,0]=3 2080 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)Br 271570a_100000068269_100012353703 [0,2,0,0,0,0|1,0,0]=3 2081 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)C 271570a_100000068269_100011214922 [0,2,0,0,0,0|1,0,0]=3 2082 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)Cl 271570a_100000068269_100000726075 [0,2,0,0,0,0|1,0,0]=3 2083 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)F 271570a_100000068269_100011216893 [0,2,0,0,0,0|1,0,0]=3 2084 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)N 271570a_100000068269_100000761887 [0,2,0,0,0,0|1,0,0]=3 2085 B17R2.5305 C=C(c1ccccc1)c2cccc(c2C)O 271570a_100000068269_100012002258 [0,2,0,0,0,0|1,0,0]=3 2086 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Cl)Br 271570a_100000068269_100010142854 [0,2,0,0,0,0|1,0,0]=3 2087 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Cl)C 271570a_100000068269_200012352035 [0,2,0,0,0,0|1,0,0]=3 2088 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Cl)Cl 271570a_100000068269_100011215384 [0,2,0,0,0,0|1,0,0]=3 2089 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Cl)F 271570a_100000068269_200010234923 [0,2,0,0,0,0|1,0,0]=3 2090 B17R2.5305 C=C(c1ccccc1)c2cccc(c2Cl)O 271570a_100000068269_100000049636 [0,2,0,0,0,0|1,0,0]=3 2091 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)Br 271570a_100000068269_100000702267 [0,2,0,0,0,0|1,0,0]=3 2092 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)C 271570a_100000068269_100000717567 [0,2,0,0,0,0|1,0,0]=3 2093 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)Cl 271570a_100000068269_100011217346 [0,2,0,0,0,0|1,0,0]=3 2094 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)F 271570a_100000068269_100000694657 [0,2,0,0,0,0|1,0,0]=3 2095 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)N 271570a_100000068269_100011935091 [0,2,0,0,0,0|1,0,0]=3 2096 B17R2.5305 C=C(c1ccccc1)c2cccc(c2F)O 271570a_100000068269_100009817021 [0,2,0,0,0,0|1,0,0]=3 2097 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)Br 271570a_100000068269_100010146558 [0,2,0,0,0,0|1,0,0]=3 2098 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)C 271570a_100000068269_100011834072 [0,2,0,0,0,0|1,0,0]=3 2099 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)Cl 271570a_100000068269_100010190421 [0,2,0,0,0,0|1,0,0]=3 2100 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)F 271570a_100000068269_100000042321 [0,2,0,0,0,0|1,0,0]=3 2101 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)N 271570a_100000068269_100015191791 [0,2,0,0,0,0|1,0,0]=3 2102 B17R2.5305 C=C(c1ccccc1)c2cccc(c2N)O 271570a_100000068269_100011934926 [0,2,0,0,0,0|1,0,0]=3 2103 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)Br 271570a_100000068269_100010084509 [0,2,0,0,0,0|1,0,0]=3 2104 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)C 271570a_100000068269_100009817157 [0,2,0,0,0,0|1,0,0]=3 2105 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)Cl 271570a_100000068269_100010202889 [0,2,0,0,0,0|1,0,0]=3 2106 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)F 271570a_100000068269_100009813666 [0,2,0,0,0,0|1,0,0]=3 2107 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)N 271570a_100000068269_100011934915 [0,2,0,0,0,0|1,0,0]=3 2108 B17R2.5305 C=C(c1ccccc1)c2cccc(c2O)O 271570a_100000068269_100009815950 [0,2,0,0,0,0|1,0,0]=3 2109 B17R2.5305 C=C(c1ccccc1)c2cccn(c2=O)C 271570a_100000068269_100000687173 [0,2,0,0,0,0|2,0,0]=4 2110 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2C)C 271570a_100000068269_100009846815 [0,2,0,0,0,0|2,0,0]=4 2111 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2C)Cl 271570a_100000068269_100000047055 [0,2,0,0,0,0|2,0,0]=4 2112 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2C)F 271570a_100000068269_100010006593 [0,2,0,0,0,0|2,0,0]=4 2113 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2C)N 271570a_100000068269_100009865460 [0,2,0,0,0,0|2,0,0]=4 2114 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2C)O 271570a_100000068269_100009858498 [0,2,0,0,0,0|2,0,0]=4 2115 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2Cl)C 271570a_100000068269_100000698670 [0,2,0,0,0,0|2,0,0]=4 2116 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2Cl)Cl 271570a_100000068269_100010246212 [0,2,0,0,0,0|2,0,0]=4 2117 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2Cl)F 271570a_100000068269_100010067886 [0,2,0,0,0,0|2,0,0]=4 2118 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2Cl)N 271570a_100000068269_100010735111 [0,2,0,0,0,0|2,0,0]=4 2119 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2F)Br 271570a_100000068269_200015269031 [0,2,0,0,0,0|2,0,0]=4 2120 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2F)C 271570a_100000068269_100009849794 [0,2,0,0,0,0|2,0,0]=4 2121 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2F)Cl 271570a_100000068269_100010150473 [0,2,0,0,0,0|2,0,0]=4 2122 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2F)F 271570a_100000068269_100010214882 [0,2,0,0,0,0|2,0,0]=4 2123 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2F)N 271570a_100000068269_100010077785 [0,2,0,0,0,0|2,0,0]=4 2124 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2N)C 271570a_100000068269_100009885578 [0,2,0,0,0,0|2,0,0]=4 2125 B17R2.5305 C=C(c1ccccc1)c2ccnc(c2N)N 271570a_100000068269_100000124095 [0,2,0,0,0,0|2,0,0]=4 2126 B17R2.5305 C=C(c1ccccc1)c2cncc(c2C)Br 271570a_100000068269_100010109657 [0,2,0,0,0,0|2,0,0]=4 2127 B17R2.5305 C=C(c1ccccc1)c2cncc(c2C)C 271570a_100000068269_100009864703 [0,2,0,0,0,0|2,0,0]=4 2128 B17R2.5305 C=C(c1ccccc1)c2cncc(c2C)F 271570a_100000068269_100009881546 [0,2,0,0,0,0|2,0,0]=4 2129 B17R2.5305 C=C(c1ccccc1)c2cncc(c2C)N 271570a_100000068269_100011998293 [0,2,0,0,0,0|2,0,0]=4 2130 B17R2.5305 C=C(c1ccccc1)c2cncc(c2N)Br 271570a_100000068269_100011290786 [0,2,0,0,0,0|2,0,0]=4 2131 B17R2.5305 C=C(c1ccccc1)c2cncc(c2N)C 271570a_100000068269_100009818025 [0,2,0,0,0,0|2,0,0]=4 2132 B17R2.5305 C=C(c1ccccc1)c2cncc(c2N)Cl 271570a_100000068269_100000684942 [0,2,0,0,0,0|2,0,0]=4 2133 B17R2.5305 C=C(c1ccccc1)c2cncc(c2N)F 271570a_100000068269_100009880649 [0,2,0,0,0,0|2,0,0]=4 2134 B17R2.5305 C=C(c1ccccc1)c2cncc(c2N)N 271570a_100000068269_100000694774 [0,2,0,0,0,0|2,0,0]=4 2135 B17R2.5305 C=C(c1ccccc1)c2nccc(c2C)C 271570a_100000068269_100009847204 [0,2,0,0,0,0|2,0,0]=4 2136 B17R2.5305 C=C(c1ccccc1)c2nccc(c2C)F 271570a_100000068269_100009846374 [0,2,0,0,0,0|2,0,0]=4 2137 B17R2.5305 C=C(c1ccccc1)c2nccc(c2C)N 271570a_100000068269_100009980296 [0,2,0,0,0,0|2,0,0]=4 2138 B17R2.5305 C=C(c1ccccc1)c2nccc(c2F)C 271570a_100000068269_100009817629 [0,2,0,0,0,0|2,0,0]=4 2139 B17R2.5305 C=C(c1ccccc1)c2nccc(c2F)N 271570a_100000068269_100015205195 [0,2,0,0,0,0|2,0,0]=4 2140 B17R2.5305 C=C(c1ccccc1)c2nccc(c2F)O 271570a_100000068269_100009876375 [0,2,0,0,0,0|2,0,0]=4 2141 B17R2.5305 C=C(c1ccccc1)c2nccc(c2N)C 271570a_100000068269_100000763560 [0,2,0,0,0,0|2,0,0]=4 2142 B17R2.5305 C=C(c1ccccc1)c2nccc(c2N)N 271570a_100000068269_100000085203 [0,2,0,0,0,0|2,0,0]=4 2143 B17R2.5305 C=C(c1ccccc1)c2nccc(c2N)O 271570a_100000068269_100000128729 [0,2,0,0,0,0|2,0,0]=4 2144 B17R2.5305 C=C(c1ccccc1)c2nccc(c2O)C 271570a_100000068269_100000696282 [0,2,0,0,0,0|2,0,0]=4 2145 B17R2.5305 C=C(c1ccccc1)c2nccc(c2O)F 271570a_100000068269_100009867227 [0,2,0,0,0,0|2,0,0]=4 2146 B17R2.5356 C=C(c1ccccc1)c2cc(=O)[nH]cc2F 271570a_100000068269_100009817642 [0,2,0,0,0,0|2,0,0]=4 2147 B17R2.5356 C=C(c1ccccc1)c2cc(c[nH]c2=O)F 271570a_100000068269_100009817720 [0,2,0,0,0,0|2,0,0]=4 2148 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)Br 271570a_100000068269_100011483371 [0,2,0,0,0,0|1,0,0]=3 2149 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)C 271570a_100000068269_100012353751 [0,2,0,0,0,0|1,0,0]=3 2150 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)Cl 271570a_100000068269_100012339723 [0,2,0,0,0,0|1,0,0]=3 2151 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)F 271570a_100000068269_100011217576 [0,2,0,0,0,0|1,0,0]=3 2152 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)N 271570a_100000068269_100000750459 [0,2,0,0,0,0|1,0,0]=3 2153 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Br)O 271570a_100000068269_100012339312 [0,2,0,0,0,0|1,0,0]=3 2154 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)Br 271570a_100000068269_100011344865 [0,2,0,0,0,0|1,0,0]=3 2155 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)C 271570a_100000068269_100000210833 [0,2,0,0,0,0|1,0,0]=3 2156 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)Cl 271570a_100000068269_100011263213 [0,2,0,0,0,0|1,0,0]=3 2157 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)F 271570a_100000068269_100011218078 [0,2,0,0,0,0|1,0,0]=3 2158 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)N 271570a_100000068269_100000736455 [0,2,0,0,0,0|1,0,0]=3 2159 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2C)O 271570a_100000068269_100011380479 [0,2,0,0,0,0|1,0,0]=3 2160 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)Br 271570a_100000068269_100011772130 [0,2,0,0,0,0|1,0,0]=3 2161 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)C 271570a_100000068269_100012356289 [0,2,0,0,0,0|1,0,0]=3 2162 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)Cl 271570a_100000068269_100000707729 [0,2,0,0,0,0|1,0,0]=3 2163 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)F 271570a_100000068269_100011217299 [0,2,0,0,0,0|1,0,0]=3 2164 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)N 271570a_100000068269_100012360549 [0,2,0,0,0,0|1,0,0]=3 2165 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2Cl)O 271570a_100000068269_100000049588 [0,2,0,0,0,0|1,0,0]=3 2166 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)Br 271570a_100000068269_100011217312 [0,2,0,0,0,0|1,0,0]=3 2167 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)C 271570a_100000068269_100000736223 [0,2,0,0,0,0|1,0,0]=3 2168 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)Cl 271570a_100000068269_100011218116 [0,2,0,0,0,0|1,0,0]=3 2169 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)F 271570a_100000068269_100000750033 [0,2,0,0,0,0|1,0,0]=3 2170 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)N 271570a_100000068269_100000760356 [0,2,0,0,0,0|1,0,0]=3 2171 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2F)O 271570a_100000068269_100000693481 [0,2,0,0,0,0|1,0,0]=3 2172 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)Br 271570a_100000068269_100000187925 [0,2,0,0,0,0|1,0,0]=3 2173 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)C 271570a_100000068269_100000210942 [0,2,0,0,0,0|1,0,0]=3 2174 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)Cl 271570a_100000068269_100000761889 [0,2,0,0,0,0|1,0,0]=3 2175 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)F 271570a_100000068269_100000760547 [0,2,0,0,0,0|1,0,0]=3 2176 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)N 271570a_100000068269_100011534242 [0,2,0,0,0,0|1,0,0]=3 2177 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2N)O 271570a_100000068269_100012001276 [0,2,0,0,0,0|1,0,0]=3 2178 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)Br 271570a_100000068269_100012355227 [0,2,0,0,0,0|1,0,0]=3 2179 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)C 271570a_100000068269_100000765521 [0,2,0,0,0,0|1,0,0]=3 2180 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)Cl 271570a_100000068269_100011356953 [0,2,0,0,0,0|1,0,0]=3 2181 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)F 271570a_100000068269_100000211999 [0,2,0,0,0,0|1,0,0]=3 2182 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)N 271570a_100000068269_100011534360 [0,2,0,0,0,0|1,0,0]=3 2183 B17R2.5356 C=C(c1ccccc1)c2cc(ccc2O)O 271570a_100000068269_100009813629 [0,2,0,0,0,0|1,0,0]=3 2184 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2Br)N 271570a_100000068269_100010201102 [0,2,0,0,0,0|2,0,0]=4 2185 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2C)Br 271570a_100000068269_200010090566 [0,2,0,0,0,0|2,0,0]=4 2186 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2C)C 271570a_100000068269_100009817436 [0,2,0,0,0,0|2,0,0]=4 2187 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2C)F 271570a_100000068269_100009860710 [0,2,0,0,0,0|2,0,0]=4 2188 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2C)N 271570a_100000068269_100011998591 [0,2,0,0,0,0|2,0,0]=4 2189 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2C)O 271570a_100000068269_100009819603 [0,2,0,0,0,0|2,0,0]=4 2190 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2Cl)Br 271570a_100000068269_100009814771 [0,2,0,0,0,0|2,0,0]=4 2191 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2Cl)C 271570a_100000068269_100010210167 [0,2,0,0,0,0|2,0,0]=4 2192 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2Cl)Cl 271570a_100000068269_200000062399 [0,2,0,0,0,0|2,0,0]=4 2193 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2Cl)N 271570a_100000068269_100010253917 [0,2,0,0,0,0|2,0,0]=4 2194 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2F)Br 271570a_100000068269_100010172738 [0,2,0,0,0,0|2,0,0]=4 2195 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2F)C 271570a_100000068269_100000049784 [0,2,0,0,0,0|2,0,0]=4 2196 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2F)Cl 271570a_100000068269_100010188783 [0,2,0,0,0,0|2,0,0]=4 2197 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2F)F 271570a_100000068269_100009820768 [0,2,0,0,0,0|2,0,0]=4 2198 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2F)N 271570a_100000068269_100009840397 [0,2,0,0,0,0|2,0,0]=4 2199 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2F)O 271570a_100000068269_100009817267 [0,2,0,0,0,0|2,0,0]=4 2200 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2N)Br 271570a_100000068269_100000760472 [0,2,0,0,0,0|2,0,0]=4 2201 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2N)C 271570a_100000068269_100000049664 [0,2,0,0,0,0|2,0,0]=4 2202 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2N)Cl 271570a_100000068269_100000050159 [0,2,0,0,0,0|2,0,0]=4 2203 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2N)F 271570a_100000068269_100009814671 [0,2,0,0,0,0|2,0,0]=4 2204 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2N)N 271570a_100000068269_200011934315 [0,2,0,0,0,0|2,0,0]=4 2205 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2O)Br 271570a_100000068269_100010197142 [0,2,0,0,0,0|2,0,0]=4 2206 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2O)C 271570a_100000068269_100000049931 [0,2,0,0,0,0|2,0,0]=4 2207 B17R2.5356 C=C(c1ccccc1)c2cc(cnc2O)Cl 271570a_100000068269_100010188700 [0,2,0,0,0,0|2,0,0]=4 2208 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2Br)Br 271570a_100000068269_100010171693 [0,2,0,0,0,0|2,0,0]=4 2209 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2Br)Cl 271570a_100000068269_100009815598 [0,2,0,0,0,0|2,0,0]=4 2210 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2C)Br 271570a_100000068269_100010067628 [0,2,0,0,0,0|2,0,0]=4 2211 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2C)C 271570a_100000068269_100009862788 [0,2,0,0,0,0|2,0,0]=4 2212 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2C)Cl 271570a_100000068269_100010068021 [0,2,0,0,0,0|2,0,0]=4 2213 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2C)F 271570a_100000068269_100000049870 [0,2,0,0,0,0|2,0,0]=4 2214 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2C)N 271570a_100000068269_100009819938 [0,2,0,0,0,0|2,0,0]=4 2215 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2C)O 271570a_100000068269_100009831917 [0,2,0,0,0,0|2,0,0]=4 2216 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2Cl)Br 271570a_100000068269_100010223331 [0,2,0,0,0,0|2,0,0]=4 2217 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2Cl)Cl 271570a_100000068269_100010172835 [0,2,0,0,0,0|2,0,0]=4 2218 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2Cl)F 271570a_100000068269_100009892587 [0,2,0,0,0,0|2,0,0]=4 2219 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2Cl)N 271570a_100000068269_100010134119 [0,2,0,0,0,0|2,0,0]=4 2220 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2F)Br 271570a_100000068269_100010193852 [0,2,0,0,0,0|2,0,0]=4 2221 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2F)C 271570a_100000068269_100009867690 [0,2,0,0,0,0|2,0,0]=4 2222 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2F)Cl 271570a_100000068269_100000708277 [0,2,0,0,0,0|2,0,0]=4 2223 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2F)F 271570a_100000068269_100010233071 [0,2,0,0,0,0|2,0,0]=4 2224 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2F)N 271570a_100000068269_100015713587 [0,2,0,0,0,0|2,0,0]=4 2225 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2N)Cl 271570a_100000068269_100000050123 [0,2,0,0,0,0|2,0,0]=4 2226 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2O)C 271570a_100000068269_100009843476 [0,2,0,0,0,0|2,0,0]=4 2227 B17R2.5356 C=C(c1ccccc1)c2cc(ncc2O)Cl 271570a_100000068269_100000698892 [0,2,0,0,0,0|2,0,0]=4 2228 B17R2.5356 C=C(c1ccccc1)c2cn(ccc2=O)C 271570a_100000068269_100010750718 [0,2,0,0,0,0|2,0,0]=4 2229 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2Br)N 271570a_100000068269_100010192275 [0,2,0,0,0,0|2,0,0]=4 2230 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2C)C 271570a_100000068269_100009854376 [0,2,0,0,0,0|2,0,0]=4 2231 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2C)N 271570a_100000068269_100000126722 [0,2,0,0,0,0|2,0,0]=4 2232 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2F)C 271570a_100000068269_100009817602 [0,2,0,0,0,0|2,0,0]=4 2233 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2F)Cl 271570a_100000068269_100010136221 [0,2,0,0,0,0|2,0,0]=4 2234 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2F)F 271570a_100000068269_100010997973 [0,2,0,0,0,0|2,0,0]=4 2235 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2F)N 271570a_100000068269_100010892222 [0,2,0,0,0,0|2,0,0]=4 2236 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2N)Br 271570a_100000068269_100010168765 [0,2,0,0,0,0|2,0,0]=4 2237 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2N)C 271570a_100000068269_100000685570 [0,2,0,0,0,0|2,0,0]=4 2238 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2N)Cl 271570a_100000068269_100010233647 [0,2,0,0,0,0|2,0,0]=4 2239 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2N)F 271570a_100000068269_100009879877 [0,2,0,0,0,0|2,0,0]=4 2240 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2N)N 271570a_100000068269_200009884323 [0,2,0,0,0,0|2,0,0]=4 2241 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2O)Br 271570a_100000068269_100010253912 [0,2,0,0,0,0|2,0,0]=4 2242 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2O)C 271570a_100000068269_100000702858 [0,2,0,0,0,0|2,0,0]=4 2243 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2O)Cl 271570a_100000068269_100000696390 [0,2,0,0,0,0|2,0,0]=4 2244 B17R2.5356 C=C(c1ccccc1)c2nc(ccc2O)F 271570a_100000068269_100010382442 [0,2,0,0,0,0|2,0,0]=4 2245 B17R2.5356 Nc1ccc(cc1C(=O)c2ccccc2)O 271570a_203496583355_100000186189 [0,2,0,0,0,0|0,0,0]=2 2246 B17R2.5356 Nc1ccc(cc1C(=O)c2ccccn2)O 271570a_203496583355_100010185865 [0,2,0,0,0,0|1,0,0]=3 2247 B17R2.5356 O=C(c1ccccc1)c2cc(ccc2O)O 271570a_203496583355_200011217964 [0,2,0,0,0,0|0,0,0]=2 2248 B17R2.41752 O=C(c1cccc(c1)Br)c2ccccc2O 271570a_203496583355_100010004308 [0,2,0,0,0,0|0,0,0]=2 2249 B17R2.1066 C=C(c1ccccc1)c2ccccc2C#N 271570a_100000068269_100000188569 [0,2,0,0,0,0|1,0,0]=3 2250 B17R2.1066 C=C(c1ccccc1)c2ccccc2C=O 271570a_100000068269_100000211189 [0,2,0,0,0,0|1,0,0]=3 2251 B17R2.1066 C=C(c1ccccc1)c2ccccc2CC 271570a_100000068269_100011215823 [0,2,0,0,0,0|1,0,0]=3 2252 B17R2.1066 C=C(c1ccccc1)c2ccccc2CN 271570a_100000068269_100000689332 [0,2,0,0,0,0|1,0,0]=3 2253 B17R2.1066 C=C(c1ccccc1)c2ccccc2CO 271570a_100000068269_100000187465 [0,2,0,0,0,0|1,0,0]=3 2254 B17R2.1066 C=C(c1ccccc1)c2ccccc2NC 271570a_100000068269_100020606079 [0,2,0,0,0,0|1,0,0]=3 2255 B17R2.1066 C=C(c1ccccc1)c2ccccc2NN 271570a_100000068269_100000241748 [0,2,0,0,0,0|1,0,0]=3 2256 B17R2.1066 C=C(c1ccccc1)c2ccccc2OC 271570a_100000068269_100000174000 [0,2,0,0,0,0|1,0,0]=3 2257 B17R2.1066 C=C(c1ccccc1)c2ccccc2SC 271570a_100000068269_100011217816 [0,2,0,0,0,0|1,0,0]=3 2258 B17R2.1066 C=C(c1ccccc1)c2cccnc2C#N 271570a_100000068269_100000685805 [0,2,0,0,0,0|2,0,0]=4 2259 B17R2.1066 C=C(c1ccccc1)c2cccnc2C=O 271570a_100000068269_100011934733 [0,2,0,0,0,0|2,0,0]=4 2260 B17R2.1066 C=C(c1ccccc1)c2cccnc2CC 271570a_100000068269_100009877225 [0,2,0,0,0,0|2,0,0]=4 2261 B17R2.1066 C=C(c1ccccc1)c2cccnc2CN 271570a_100000068269_100020591323 [0,2,0,0,0,0|2,0,0]=4 2262 B17R2.1066 C=C(c1ccccc1)c2cccnc2CO 271570a_100000068269_100011996772 [0,2,0,0,0,0|2,0,0]=4 2263 B17R2.1066 C=C(c1ccccc1)c2cccnc2NC 271570a_100000068269_100000700899 [0,2,0,0,0,0|2,0,0]=4 2264 B17R2.1066 C=C(c1ccccc1)c2cccnc2NN 271570a_100000068269_100011464834 [0,2,0,0,0,0|2,0,0]=4 2265 B17R2.1066 C=C(c1ccccc1)c2cccnc2OC 271570a_100000068269_100000047025 [0,2,0,0,0,0|2,0,0]=4 2266 B17R2.1066 C=C(c1ccccc1)c2cccnc2SC 271570a_100000068269_100011465278 [0,2,0,0,0,0|2,0,0]=4 2267 B17R2.1066 C=C(c1ccccc1)c2ccncc2C#N 271570a_100000068269_100000687039 [0,2,0,0,0,0|2,0,0]=4 2268 B17R2.1066 C=C(c1ccccc1)c2ccncc2C=O 271570a_100000068269_100000050567 [0,2,0,0,0,0|2,0,0]=4 2269 B17R2.1066 C=C(c1ccccc1)c2ccncc2CC 271570a_100000068269_100025704421 [0,2,0,0,0,0|2,0,0]=4 2270 B17R2.1066 C=C(c1ccccc1)c2ccncc2CO 271570a_100000068269_100000117392 [0,2,0,0,0,0|2,0,0]=4 2271 B17R2.1066 C=C(c1ccccc1)c2ccncc2OC 271570a_100000068269_100016988167 [0,2,0,0,0,0|2,0,0]=4 2272 B17R2.1066 C=C(c1ccccc1)c2cnccc2C#N 271570a_100000068269_100000684818 [0,2,0,0,0,0|2,0,0]=4 2273 B17R2.1066 C=C(c1ccccc1)c2cnccc2C=O 271570a_100000068269_100011934409 [0,2,0,0,0,0|2,0,0]=4 2274 B17R2.1066 C=C(c1ccccc1)c2cnccc2CC 271570a_100000068269_100009819861 [0,2,0,0,0,0|2,0,0]=4 2275 B17R2.1066 C=C(c1ccccc1)c2cnccc2CN 271570a_100000068269_100020640021 [0,2,0,0,0,0|2,0,0]=4 2276 B17R2.1066 C=C(c1ccccc1)c2cnccc2CO 271570a_100000068269_100009873359 [0,2,0,0,0,0|2,0,0]=4 2277 B17R2.1066 C=C(c1ccccc1)c2cnccc2NC 271570a_100000068269_100010069531 [0,2,0,0,0,0|2,0,0]=4 2278 B17R2.1066 C=C(c1ccccc1)c2cnccc2NN 271570a_100000068269_100013404636 [0,2,0,0,0,0|2,0,0]=4 2279 B17R2.1066 C=C(c1ccccc1)c2cnccc2OC 271570a_100000068269_100011997281 [0,2,0,0,0,0|2,0,0]=4 2280 B17R2.1066 C=C(c1ccccc1)c2ncccc2C#N 271570a_100000068269_100000211984 [0,2,0,0,0,0|2,0,0]=4 2281 B17R2.1066 C=C(c1ccccc1)c2ncccc2C=O 271570a_100000068269_100009816751 [0,2,0,0,0,0|2,0,0]=4 2282 B17R2.1066 C=C(c1ccccc1)c2ncccc2CN 271570a_100000068269_100015189234 [0,2,0,0,0,0|2,0,0]=4 2283 B17R2.1066 C=C(c1ccccc1)c2ncccc2CO 271570a_100000068269_100000748726 [0,2,0,0,0,0|2,0,0]=4 2284 B17R2.1066 C=C(c1ccccc1)c2ncccc2NC 271570a_100000068269_200011806188 [0,2,0,0,0,0|2,0,0]=4 2285 B17R2.1066 C=C(c1ccccc1)c2ncccc2OC 271570a_100000068269_100000690851 [0,2,0,0,0,0|2,0,0]=4 2286 B17R2.1066 C=Cc1ccccc1C(=O)c2ccccc2 271570a_100011290941_100000198044 [0,2,0,0,0,0|0,0,0]=2 2287 B17R2.1066 C=Cc1ccccc1C(=O)c2cccnc2 271570a_100011290941_100011532686 [0,2,0,0,0,0|1,0,0]=3 2288 B17R2.1066 C=Cc1ccccc1C(N)c2ccccc2 271570a_100011290941_100011211563 [0,2,0,0,0,0|1,0,1]=4 2289 B17R2.1066 CNc1ccccc1C(=O)c2ccccc2 27a_100102657272_100000198044 [0,2,0,0,0,0|0,0,0]=2 2290 B17R2.1066 CNc1ccccc1C(=O)c2cccnc2 27a_100102657272_100011532686 [0,2,0,0,0,0|1,0,0]=3 2291 B17R2.1066 CNc1ccccc1C(O)c2ccccc2 2230a_100000246470_200000210301 [0,2,0,0,0,0|0,0,2]=4 2292 B17R2.1066 CNc1ccccc1C(O)c2ccccc2 34a_100000246470_200000210301 [0,2,0,0,0,0|0,0,2]=4 2293 B17R2.1066 CNc1ccccc1C(O)c2ccccc2 7a_100000246470_200000210301 [0,2,0,0,0,0|0,0,2]=4 2294 B17R2.1066 COc1ccccc1C(=O)c2ccccc2 7a_100011215220_200000210301 [0,2,0,0,0,0|0,0,0]=2 2295 B17R2.1066 CSc1ccccc1C(=O)c2ccccc2 62a_100000198044_200000210301 [0,2,0,0,0,0|0,0,0]=2 2296 B17R2.1066 CSc1ccccc1C(=O)c2cccnc2 62a_100011532686_200000210301 [0,2,0,0,0,0|1,0,0]=3 2297 B17R2.1066 CSc1ccccc1C(=O)c2cccnc2 62a_200000210301_100011532686 [0,2,0,0,0,0|1,0,0]=3 2298 B17R2.1066 CSc1ccccc1C(N)c2ccccc2 62a_100011211563_200000210301 [0,2,0,0,0,0|1,0,1]=4 2299 B17R2.1066 CSc1ccccc1C(N)c2ccccc2 62a_200000210301_100011211563 [0,2,0,0,0,0|1,0,1]=4 2300 B17R2.1066 [13CH3]Nc1ccccc1C(O)c2ccccc2 2230a_100000246470_200025704644 [0,2,0,0,0,0|0,0,2]=4 2301 B17R2.1066 [13CH3]Nc1ccccc1C(O)c2ccccc2 34a_100000246470_200025704644 [0,2,0,0,0,0|0,0,2]=4 2302 B17R2.1066 [13CH3]Nc1ccccc1C(O)c2ccccc2 7a_100000246470_200025704644 [0,2,0,0,0,0|0,0,2]=4 2303 B17R2.1066 [13CH3]Oc1ccccc1C(=O)c2ccccc2 7a_100011215220_200025704644 [0,2,0,0,0,0|0,0,0]=2 2304 B17R2.1066 [13CH3]Sc1ccccc1C(=O)c2ccccc2 62a_100000198044_200025704644 [0,2,0,0,0,0|0,0,0]=2 2305 B17R2.1066 [13CH3]Sc1ccccc1C(=O)c2cccnc2 62a_100011532686_200025704644 [0,2,0,0,0,0|1,0,0]=3 2306 B17R2.1066 [13CH3]Sc1ccccc1C(=O)c2cccnc2 62a_200025704644_100011532686 [0,2,0,0,0,0|1,0,0]=3 2307 B17R2.1066 [13CH3]Sc1ccccc1C(N)c2ccccc2 62a_100011211563_200025704644 [0,2,0,0,0,0|1,0,1]=4 2308 B17R2.1066 [13CH3]Sc1ccccc1C(N)c2ccccc2 62a_200025704644_100011211563 [0,2,0,0,0,0|1,0,1]=4 2309 B17R2.5268 C=C(c1ccccc1)c2c(ccc[n+]2[O-])C 271570a_100000068269_100116209805 [0,2,0,0,0,0|2,0,0]=4 2310 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Br)Br 271570a_100000068269_100009994525 [0,2,0,0,0,0|1,0,0]=3 2311 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Br)Cl 271570a_100000068269_100010214488 [0,2,0,0,0,0|1,0,0]=3 2312 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Br)F 271570a_100000068269_100011219512 [0,2,0,0,0,0|1,0,0]=3 2313 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Br)N 271570a_100000068269_100020590159 [0,2,0,0,0,0|1,0,0]=3 2314 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Br)O 271570a_100000068269_100010187912 [0,2,0,0,0,0|1,0,0]=3 2315 B17R2.5268 C=C(c1ccccc1)c2c(cccc2C)C 271570a_100000068269_100000033847 [0,2,0,0,0,0|1,0,0]=3 2316 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Cl)C 271570a_100000068269_100000043165 [0,2,0,0,0,0|1,0,0]=3 2317 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Cl)Cl 271570a_100000068269_100000034237 [0,2,0,0,0,0|1,0,0]=3 2318 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Cl)F 271570a_100000068269_100000050007 [0,2,0,0,0,0|1,0,0]=3 2319 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Cl)N 271570a_100000068269_100000049713 [0,2,0,0,0,0|1,0,0]=3 2320 B17R2.5268 C=C(c1ccccc1)c2c(cccc2Cl)O 271570a_100000068269_100000050174 [0,2,0,0,0,0|1,0,0]=3 2321 B17R2.5268 C=C(c1ccccc1)c2c(cccc2F)C 271570a_100000068269_100012349962 [0,2,0,0,0,0|1,0,0]=3 2322 B17R2.5268 C=C(c1ccccc1)c2c(cccc2F)F 271570a_100000068269_100000693133 [0,2,0,0,0,0|1,0,0]=3 2323 B17R2.5268 C=C(c1ccccc1)c2c(cccc2F)N 271570a_100000068269_100011934729 [0,2,0,0,0,0|1,0,0]=3 2324 B17R2.5268 C=C(c1ccccc1)c2c(cccc2F)O 271570a_100000068269_100009820682 [0,2,0,0,0,0|1,0,0]=3 2325 B17R2.5268 C=C(c1ccccc1)c2c(cccc2N)C 271570a_100000068269_100000684715 [0,2,0,0,0,0|1,0,0]=3 2326 B17R2.5268 C=C(c1ccccc1)c2c(cccc2O)C 271570a_100000068269_100000686692 [0,2,0,0,0,0|1,0,0]=3 2327 B17R2.5268 C=C(c1ccccc1)c2c(cccc2O)N 271570a_100000068269_100012183704 [0,2,0,0,0,0|1,0,0]=3 2328 B17R2.5268 C=C(c1ccccc1)c2c(cccc2O)O 271570a_100000068269_100010205330 [0,2,0,0,0,0|1,0,0]=3 2329 B17R2.5268 C=C(c1ccccc1)c2c(ccnc2C)C 271570a_100000068269_100012000501 [0,2,0,0,0,0|2,0,0]=4 2330 B17R2.5268 C=C(c1ccccc1)c2c(ccnc2C)N 271570a_100000068269_100010243816 [0,2,0,0,0,0|2,0,0]=4 2331 B17R2.5268 C=C(c1ccccc1)c2c(ccnc2F)C 271570a_100000068269_100009818256 [0,2,0,0,0,0|2,0,0]=4 2332 B17R2.5268 C=C(c1ccccc1)c2c(ccnc2F)F 271570a_100000068269_100009874084 [0,2,0,0,0,0|2,0,0]=4 2333 B17R2.5268 C=C(c1ccccc1)c2c(ccnc2F)N 271570a_100000068269_100010381272 [0,2,0,0,0,0|2,0,0]=4 2334 B17R2.5268 C=C(c1ccccc1)c2c(ccnc2N)C 271570a_100000068269_100011998619 [0,2,0,0,0,0|2,0,0]=4 2335 B17R2.5268 C=C(c1ccccc1)c2c(ccnc2N)Cl 271570a_100000068269_100010199028 [0,2,0,0,0,0|2,0,0]=4 2336 B17R2.5268 C=C(c1ccccc1)c2c(ccnc2O)C 271570a_100000068269_100012000493 [0,2,0,0,0,0|2,0,0]=4 2337 B17R2.5268 C=C(c1ccccc1)c2c(ccnc2O)O 271570a_100000068269_200009817435 [0,2,0,0,0,0|2,0,0]=4 2338 B17R2.5268 C=C(c1ccccc1)c2c(cncc2Br)Br 271570a_100000068269_100010172828 [0,2,0,0,0,0|2,0,0]=4 2339 B17R2.5268 C=C(c1ccccc1)c2c(cncc2C)C 271570a_100000068269_100009817138 [0,2,0,0,0,0|2,0,0]=4 2340 B17R2.5268 C=C(c1ccccc1)c2c(cncc2Cl)Cl 271570a_100000068269_100000036193 [0,2,0,0,0,0|2,0,0]=4 2341 B17R2.5268 C=C(c1ccccc1)c2c(cncc2F)F 271570a_100000068269_100000760538 [0,2,0,0,0,0|2,0,0]=4 2342 B17R2.5268 Nc1nccc(c1C(=O)c2ccccc2)O 271570a_203496583355_200010126216 [0,2,0,0,0,0|1,0,0]=3 2343 B15R2.17 C=Cc1cc(ccn1)c2ccccc2 271570a_100011290941_100000733892 [0,0,1,1,0,0|2,0,0]=4 2344 B15R2.17 C=Cc1cccc(c1)c2ccccc2 271570a_100010046461_100000210277 [0,0,1,1,0,0|1,0,0]=3 2345 B15R2.17 C=Cc1cccc(c1)c2ccccc2 271570a_100011290941_100009813342 [0,0,1,1,0,0|1,0,0]=3 2346 B15R2.17 C=Cc1cccc(c1)c2ccccn2 271570a_100010046461_100011216584 [0,0,1,1,0,0|2,0,0]=4 2347 B15R2.17 C=Cc1cccc(c1)c2ccccn2 271570a_100011290941_100010206771 [0,0,1,1,0,0|2,0,0]=4 2348 B15R2.17 C=Cc1cccc(c1)c2cccnc2 271570a_100010046461_100000752921 [0,0,1,1,0,0|2,0,0]=4 2349 B15R2.17 C=Cc1cccc(c1)c2cccnc2 271570a_100011290941_100010074666 [0,0,1,1,0,0|2,0,0]=4 2350 B15R2.17 C=Cc1cccc(c1)c2ccncc2 271570a_100010046461_100000035832 [0,0,1,1,0,0|2,0,0]=4 2351 B15R2.17 C=Cc1cccc(c1)c2ccncc2 271570a_100011290941_100010218207 [0,0,1,1,0,0|2,0,0]=4 2352 B15R2.17 C=Cc1cccc(n1)c2ccccc2 271570a_100011290941_100012022076 [0,0,1,1,0,0|1,0,0]=3 2353 B15R2.17 C=Cc1cccc(n1)c2ccccn2 271570a_100011290941_100011934167 [0,0,1,1,0,0|2,0,0]=4 2354 B15R2.17 C=Cc1cccc(n1)c2cccnc2 271570a_100011290941_100012317994 [0,0,1,1,0,0|2,0,0]=4 2355 B15R2.17 C=Cc1cccc(n1)c2ccncc2 271570a_100011290941_200012318261 [0,0,1,1,0,0|2,0,0]=4 2356 B15R2.17 C=Cc1ccnc(c1)c2ccccc2 271570a_100011290941_100010243831 [0,0,1,1,0,0|2,0,0]=4 2357 B15R2.17 C=Cc1ccnc(n1)c2ccccc2 271570a_100011290941_100000750259 [0,0,1,1,0,0|2,0,0]=4 2358 B15R2.17 C=Cc1cncc(c1)c2ccccc2 271570a_100011290941_100010138719 [0,0,1,1,0,0|2,0,0]=4 2359 B15R2.17 C=Cc1cncc(n1)c2ccccc2 271570a_100011290941_100000691699 [0,0,1,1,0,0|2,0,0]=4 2360 B15R2.17 C=Cc1nccc(n1)c2ccccc2 271570a_100011290941_100011448968 [0,0,1,1,0,0|2,0,0]=4 2361 B15R2.17 O=Cc1cccc(c1)c2ccccc2 271570a_100000039908_100000210277 [0,0,1,1,0,0|2,0,0]=4 2362 B15R2.17 O=Cc1cccc(c1)c2ccccc2 271570a_100011218836_100000014684 [0,0,1,1,0,0|2,0,0]=4 2363 B15R2.17 O=Cc1cccc(n1)c2ccccc2 271570a_100011218836_100000688028 [0,0,1,1,0,0|2,0,0]=4 2364 B15R2.66 C=C=Cc1ccc(s1)c2ccccc2 271570a_100015277604_100009814279 [0,0,1,1,0,0|0,1,1]=4 2365 B15R2.66 CC=Cc1ccc(s1)c2ccccc2 271570a_100016259895_100009814279 [0,0,1,1,0,0|0,1,1]=4 2366 B15R2.1259 O=C(Cc1ccsc1)c2ccccc2 1458a_100000185807_100011233845 [0,0,1,1,0,0|1,0,1]=4 2367 B15R2.4382 C=C=Cc1ccc(c2c1cccc2)Br 271570a_100015277604_100012339872 [0,0,1,1,0,0|1,0,1]=4 2368 B15R2.4382 C=C=Cc1ccc(c2c1cccc2)C 271570a_100015277604_100011215156 [0,0,1,1,0,0|1,0,1]=4 2369 B15R2.4382 C=C=Cc1ccc(c2c1cccc2)F 271570a_100015277604_100011218216 [0,0,1,1,0,0|1,0,1]=4 2370 B15R2.4382 C=C=Cc1ccc(c2c1cccc2)N 271570a_100015277604_100000766797 [0,0,1,1,0,0|1,0,1]=4 2371 B15R2.4382 C=C=Cc1ccc(c2c1cccc2)O 271570a_100015277604_100000186334 [0,0,1,1,0,0|0,0,2]=4 2372 B15R2.4382 CC=Cc1ccc(c2c1cccc2)Br 271570a_100016259895_100012339872 [0,0,1,1,0,0|1,0,1]=4 2373 B15R2.4382 CC=Cc1ccc(c2c1cccc2)C 271570a_100016259895_100011215156 [0,0,1,1,0,0|1,0,1]=4 2374 B15R2.4382 CC=Cc1ccc(c2c1cccc2)F 271570a_100016259895_100011218216 [0,0,1,1,0,0|1,0,1]=4 2375 B15R2.4382 CC=Cc1ccc(c2c1cccc2)N 271570a_100016259895_100000766797 [0,0,1,1,0,0|1,0,1]=4 2376 B15R2.4382 CC=Cc1ccc(c2c1cccc2)O 271570a_100016259895_100000186334 [0,0,1,1,0,0|0,0,2]=4 2377 B15R2.21211 C=Cc1cn(c(=O)c2c1cccc2)C 271570a_100011290941_100000239302 [0,0,1,1,0,0|1,0,1]=4 2378 B15R2.21 C=Cc1ccccc1c2ccccc2 271570a_100000037480_100000210277 [0,0,1,1,0,0|1,0,0]=3 2379 B15R2.21 C=Cc1ccccc1c2ccccc2 271570a_100011290941_100000033479 [0,0,1,1,0,0|1,0,0]=3 2380 B15R2.21 C=Cc1ccccc1c2ccccn2 271570a_100000037480_100011216584 [0,0,1,1,0,0|2,0,0]=4 2381 B15R2.21 C=Cc1ccccc1c2ccccn2 271570a_100011290941_100010202516 [0,0,1,1,0,0|2,0,0]=4 2382 B15R2.21 C=Cc1ccccc1c2cccnc2 271570a_100000037480_100000752921 [0,0,1,1,0,0|2,0,0]=4 2383 B15R2.21 C=Cc1ccccc1c2ccncc2 271570a_100000037480_100000035832 [0,0,1,1,0,0|2,0,0]=4 2384 B15R2.21 C=Cc1ccccc1c2ccncc2 271570a_100011290941_100010154595 [0,0,1,1,0,0|2,0,0]=4 2385 B15R2.21 C=Cc1cccnc1c2ccccc2 271570a_100011290941_100010138707 [0,0,1,1,0,0|1,0,0]=3 2386 B15R2.21 C=Cc1cnccc1c2ccccc2 271570a_100011290941_100009816686 [0,0,1,1,0,0|2,0,0]=4 2387 B15R2.21 C=Cc1cncnc1c2ccccc2 271570a_100011290941_200009816525 [0,0,1,1,0,0|2,0,0]=4 2388 B15R2.21 O=Cc1ccccc1c2ccccc2 271570a_100000740022_100000210277 [0,0,1,1,0,0|2,0,0]=4 2389 B15R2.21 O=Cc1ccccc1c2ccccc2 271570a_100011218836_100000211189 [0,0,1,1,0,0|2,0,0]=4 2390 B15R2.21 O=Cc1cccnc1c2ccccc2 271570a_100011218836_100009816751 [0,0,1,1,0,0|2,0,0]=4 2391 B15R2.2220 C=C=Cc1c[nH]c2ccccc2c1=O 271570a_100015277604_100012339567 [0,0,1,1,0,0|1,0,1]=4 2392 B15R2.2220 C=C=Cc1ccc2ccccc2c1Br 271570a_100015277604_200010089984 [0,0,1,1,0,0|1,0,1]=4 2393 B15R2.2220 C=C=Cc1ccc2ccccc2c1C 271570a_100015277604_100010221197 [0,0,1,1,0,0|1,0,1]=4 2394 B15R2.2220 C=C=Cc1ccc2ccccc2c1F 271570a_100015277604_100009832041 [0,0,1,1,0,0|1,0,1]=4 2395 B15R2.2220 C=C=Cc1ccc2ccccc2c1N 271570a_100015277604_100009817101 [0,0,1,1,0,0|1,0,1]=4 2396 B15R2.2220 C=C=Cc1ccc2ccccc2c1O 271570a_100015277604_100009996032 [0,0,1,1,0,0|0,0,2]=4 2397 B15R2.2220 C=C=Cc1coc2ccccc2c1=O 271570a_100015277604_100009813851 [0,0,1,1,0,0|1,0,1]=4 2398 B15R2.2220 CC=Cc1c[nH]c2ccccc2c1=O 271570a_100016259895_100012339567 [0,0,1,1,0,0|1,0,1]=4 2399 B15R2.2220 CC=Cc1ccc2ccccc2c1Br 271570a_100016259895_200010089984 [0,0,1,1,0,0|1,0,1]=4 2400 B15R2.2220 CC=Cc1ccc2ccccc2c1C 271570a_100016259895_100010221197 [0,0,1,1,0,0|1,0,1]=4 2401 B15R2.2220 CC=Cc1ccc2ccccc2c1F 271570a_100016259895_100009832041 [0,0,1,1,0,0|1,0,1]=4 2402 B15R2.2220 CC=Cc1ccc2ccccc2c1N 271570a_100016259895_100009817101 [0,0,1,1,0,0|1,0,1]=4 2403 B15R2.2220 CC=Cc1ccc2ccccc2c1O 271570a_100016259895_100009996032 [0,0,1,1,0,0|0,0,2]=4 2404 B15R2.2220 CC=Cc1coc2ccccc2c1=O 271570a_100016259895_100009813851 [0,0,1,1,0,0|1,0,1]=4 2405 B17R3.1939 c1ccc(cc1)OC2Cc3c2cccc3 7a_100000210340_100009813401 [0,0,0,1,0,1|1,0,1]=4 2406 B17R3.1939 c1ccc(cc1)SC2Cc3c2cccc3 62a_100000719477_100009813401 [0,0,0,1,0,1|1,0,1]=4 2407 B17R3.1939 c1ccc(cc1)SC2Cc3c2cccc3 62a_100009813401_100000041952 [0,0,0,1,0,1|1,0,1]=4 2408 B17R3.8708 C1=C(Cc2c1cccc2)c3ccccc3 271570a_100010239756_100000210277 [0,0,0,1,0,1|1,0,0]=3 2409 B17R3.8708 C1=C(Cc2c1cccc2)c3ccccn3 271570a_100010239756_100011216584 [0,0,0,1,0,1|2,0,0]=4 2410 B17R3.8708 C1=C(Cc2c1cccc2)c3cccnc3 271570a_100010239756_100000752921 [0,0,0,1,0,1|2,0,0]=4 2411 B17R3.8708 C1=C(Cc2c1cccc2)c3ccncc3 271570a_100010239756_100000035832 [0,0,0,1,0,1|2,0,0]=4 2412 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 271570a_100010206980_100000210277 [0,0,0,1,0,1|1,0,0]=3 2413 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 271570a_100011218836_100010232065 [0,0,0,1,0,1|1,0,0]=3 2414 B17R3.8708 c1ccc(cc1)c2cc3ccccc3o2 271570a_100011218836_100010159458 [0,0,0,1,0,1|0,0,1]=3 2415 B17R3.8708 c1ccc(cc1)c2cc3ccccc3o2 271570a_100011328764_100000210277 [0,0,0,1,0,1|0,0,1]=3 2416 B17R3.8708 c1ccc(cc1)c2cc3ccccc3s2 271570a_100000034353_100000210277 [0,0,0,1,0,1|0,1,0]=3 2417 B17R3.8708 c1ccc(cc1)c2cc3ccccc3s2 271570a_100011218836_100009816949 [0,0,0,1,0,1|0,1,0]=3 2418 B17R3.8708 c1ccc(cc1)c2cc3cccnc3[nH]2 271570a_100011218836_100010079843 [0,0,0,1,0,1|2,0,0]=4 2419 B17R3.8708 c1ccc(cc1)c2cn3ccccc3n2 271570a_100011218836_100009819586 [0,0,0,1,0,1|2,0,0]=4 2420 B17R3.8708 c1ccc(cc1)c2nc3ccccc3[nH]2 271570a_100011218836_100009814255 [0,0,0,1,0,1|1,0,0]=3 2421 B17R3.8708 c1ccc(cc1)c2nc3ccccc3s2 271570a_100011218836_100000751744 [0,0,0,1,0,1|0,1,0]=3 2422 B17R3.8708 c1ccc(cc1)c2nc3ccccc3s2 271570a_200000082171_100000210277 [0,0,0,1,0,1|0,1,0]=3 2423 B17R3.8708 c1ccc(cc1)c2nc3cccnc3s2 271570a_100011218836_100010188088 [0,0,0,1,0,1|1,1,0]=4 2424 B17R3.8708 c1ccc(nc1)c2cc3ccccc3[nH]2 271570a_100010206980_100011216584 [0,0,0,1,0,1|2,0,0]=4 2425 B17R3.8708 c1ccc(nc1)c2cc3ccccc3[nH]2 271570a_100011264011_100010232065 [0,0,0,1,0,1|2,0,0]=4 2426 B17R3.8708 c1ccc(nc1)c2cc3ccccc3o2 271570a_100011264011_100010159458 [0,0,0,1,0,1|1,0,1]=4 2427 B17R3.8708 c1ccc(nc1)c2cc3ccccc3o2 271570a_100011328764_100011216584 [0,0,0,1,0,1|1,0,1]=4 2428 B17R3.8708 c1ccc(nc1)c2cc3ccccc3s2 271570a_100000034353_100011216584 [0,0,0,1,0,1|1,1,0]=4 2429 B17R3.8708 c1ccc(nc1)c2cc3ccccc3s2 271570a_100011264011_100009816949 [0,0,0,1,0,1|1,1,0]=4 2430 B17R3.8708 c1ccc(nc1)c2nc3ccccc3[nH]2 271570a_100011264011_100009814255 [0,0,0,1,0,1|2,0,0]=4 2431 B17R3.8708 c1ccc(nc1)c2nc3ccccc3s2 271570a_100011264011_100000751744 [0,0,0,1,0,1|1,1,0]=4 2432 B17R3.8708 c1ccc(nc1)c2nc3ccccc3s2 271570a_200000082171_100011216584 [0,0,0,1,0,1|1,1,0]=4 2433 B17R3.8708 c1ccc2[nH]c(cc2c1)c3ccncc3 271570a_100000752145_100010232065 [0,0,0,1,0,1|2,0,0]=4 2434 B17R3.8708 c1ccc2[nH]c(cc2c1)c3ccncc3 271570a_100010206980_100000035832 [0,0,0,1,0,1|2,0,0]=4 2435 B17R3.8708 c1ccc2[nH]c(nc2c1)c3ccncc3 271570a_100000752145_100009814255 [0,0,0,1,0,1|2,0,0]=4 2436 B17R3.8708 c1ccc2oc(cc2c1)c3ccncc3 271570a_100000752145_100010159458 [0,0,0,1,0,1|1,0,1]=4 2437 B17R3.8708 c1ccc2oc(cc2c1)c3ccncc3 271570a_100011328764_100000035832 [0,0,0,1,0,1|1,0,1]=4 2438 B17R3.8708 c1ccc2sc(cc2c1)c3ccncc3 271570a_100000034353_100000035832 [0,0,0,1,0,1|1,1,0]=4 2439 B17R3.8708 c1ccc2sc(cc2c1)c3ccncc3 271570a_100000752145_100009816949 [0,0,0,1,0,1|1,1,0]=4 2440 B17R3.8708 c1ccc2sc(nc2c1)c3ccncc3 271570a_100000752145_100000751744 [0,0,0,1,0,1|1,1,0]=4 2441 B17R3.8708 c1ccc2sc(nc2c1)c3ccncc3 271570a_200000082171_100000035832 [0,0,0,1,0,1|1,1,0]=4 2442 B17R3.8708 c1cncc(c1)c2cc3ccccc3[nH]2 271570a_100000757648_100010232065 [0,0,0,1,0,1|2,0,0]=4 2443 B17R3.8708 c1cncc(c1)c2cc3ccccc3[nH]2 271570a_100010206980_100000752921 [0,0,0,1,0,1|2,0,0]=4 2444 B17R3.8708 c1cncc(c1)c2cc3ccccc3o2 271570a_100000757648_100010159458 [0,0,0,1,0,1|1,0,1]=4 2445 B17R3.8708 c1cncc(c1)c2cc3ccccc3o2 271570a_100011328764_100000752921 [0,0,0,1,0,1|1,0,1]=4 2446 B17R3.8708 c1cncc(c1)c2cc3ccccc3s2 271570a_100000034353_100000752921 [0,0,0,1,0,1|1,1,0]=4 2447 B17R3.8708 c1cncc(c1)c2cc3ccccc3s2 271570a_100000757648_100009816949 [0,0,0,1,0,1|1,1,0]=4 2448 B17R3.8708 c1cncc(c1)c2nc3ccccc3[nH]2 271570a_100000757648_100009814255 [0,0,0,1,0,1|2,0,0]=4 2449 B17R3.8708 c1cncc(c1)c2nc3ccccc3s2 271570a_100000757648_100000751744 [0,0,0,1,0,1|1,1,0]=4 2450 B17R3.8708 c1cncc(c1)c2nc3ccccc3s2 271570a_200000082171_100000752921 [0,0,0,1,0,1|1,1,0]=4 2451 B17R3.54615 Oc1cc2ccccc2c3c1cccc3 271570a_203496583355_100009813645 [0,0,0,1,0,1|0,0,1]=3 2452 B17R3.54615 Oc1cc2cccnc2c3c1cccc3 271570a_203496583355_100050056114 [0,0,0,1,0,1|1,0,1]=4 2453 B17R3.54615 Oc1nc2ccccc2c3c1cccc3 271570a_203496583355_100000028652 [0,0,0,1,0,1|0,0,1]=3 2454 B17R3.31713 Cn1c2ccccc2c3c1ccc(c3)O 271570a_203496583355_100009996057 [0,1,0,1,0,0|2,0,0]=4 2455 B17R3.31713 O=C1c2ccccc2-c3c1ccc(c3)O 271570a_203496583355_100010293230 [0,1,0,1,0,0|0,0,0]=2 2456 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccc3 271570a_100012356747_100000210277 [0,1,0,1,0,0|1,0,0]=3 2457 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccn3 271570a_100000695875_100000210277 [0,1,0,1,0,0|2,0,0]=4 2458 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccn3 271570a_100011218836_100011934613 [0,1,0,1,0,0|2,0,0]=4 2459 B17R3.8 c1ccc(cc1)c2c[nH]c3c2ccnc3 271570a_100011218836_100010232032 [0,1,0,1,0,0|2,0,0]=4 2460 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cncc3 271570a_100011218836_100011934843 [0,1,0,1,0,0|2,0,0]=4 2461 B17R3.8 c1ccc(cc1)c2c[nH]c3c2nccc3 271570a_100011218836_100009817151 [0,1,0,1,0,0|2,0,0]=4 2462 B17R3.8 c1ccc(cc1)c2cnc3n2cccc3 271570a_100011218836_100011219245 [0,1,0,1,0,0|2,0,0]=4 2463 B17R3.8 c1ccc(cc1)c2cnn3c2cccc3 271570a_100010220532_100000210277 [0,1,0,1,0,0|2,0,0]=4 2464 B17R3.8 c1ccc(cc1)c2cnn3c2cccc3 271570a_100011218836_100009817726 [0,1,0,1,0,0|2,0,0]=4 2465 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 271570a_100000084643_100000210277 [0,1,0,1,0,0|0,0,1]=3 2466 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 271570a_100011218836_100009812202 [0,1,0,1,0,0|0,0,1]=3 2467 B17R3.8 c1ccc(cc1)c2coc3c2nccc3 271570a_100011218836_100009889148 [0,1,0,1,0,0|1,0,1]=4 2468 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 271570a_100000038073_100000210277 [0,1,0,1,0,0|0,1,0]=3 2469 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 271570a_100011218836_100009813928 [0,1,0,1,0,0|0,1,0]=3 2470 B17R3.8 c1ccc(cc1)c2csc3c2cccn3 271570a_100011218836_100009830249 [0,1,0,1,0,0|1,1,0]=4 2471 B17R3.8 c1ccc(cc1)c2csc3c2ccnc3 271570a_100011218836_100009817111 [0,1,0,1,0,0|1,1,0]=4 2472 B17R3.8 c1ccc(cc1)c2csc3c2cncc3 271570a_100011218836_100010247091 [0,1,0,1,0,0|1,1,0]=4 2473 B17R3.8 c1ccc(cc1)c2csc3c2nccc3 271570a_100011218836_100010247092 [0,1,0,1,0,0|1,1,0]=4 2474 B17R3.8 c1ccc(cc1)c2n[nH]c3c2cccc3 271570a_100011218836_100000050141 [0,1,0,1,0,0|1,0,0]=3 2475 B17R3.8 c1ccc(cc1)c2n[nH]c3c2cccn3 271570a_100011218836_100009888962 [0,1,0,1,0,0|2,0,0]=4 2476 B17R3.8 c1ccc(cc1)c2n[nH]c3c2ccnc3 271570a_100011218836_100010244369 [0,1,0,1,0,0|2,0,0]=4 2477 B17R3.8 c1ccc(cc1)c2n[nH]c3c2cncc3 271570a_100011218836_100010724670 [0,1,0,1,0,0|2,0,0]=4 2478 B17R3.8 c1ccc(cc1)c2n[nH]c3c2nccc3 271570a_100011218836_100009817118 [0,1,0,1,0,0|2,0,0]=4 2479 B17R3.8 c1ccc(cc1)c2ncn3c2cccc3 271570a_100011218836_100000688344 [0,1,0,1,0,0|2,0,0]=4 2480 B17R3.8 c1ccc(cc1)c2nnc3n2cccc3 271570a_100011218836_100000699609 [0,1,0,1,0,0|2,0,0]=4 2481 B17R3.8 c1ccc(nc1)c2c[nH]c3c2cccc3 271570a_100012356747_100011216584 [0,1,0,1,0,0|2,0,0]=4 2482 B17R3.8 c1ccc(nc1)c2coc3c2cccc3 271570a_100000084643_100011216584 [0,1,0,1,0,0|1,0,1]=4 2483 B17R3.8 c1ccc(nc1)c2coc3c2cccc3 271570a_100011264011_100009812202 [0,1,0,1,0,0|1,0,1]=4 2484 B17R3.8 c1ccc(nc1)c2csc3c2cccc3 271570a_100000038073_100011216584 [0,1,0,1,0,0|1,1,0]=4 2485 B17R3.8 c1ccc(nc1)c2csc3c2cccc3 271570a_100011264011_100009813928 [0,1,0,1,0,0|1,1,0]=4 2486 B17R3.8 c1ccc(nc1)c2n[nH]c3c2cccc3 271570a_100011264011_100000050141 [0,1,0,1,0,0|2,0,0]=4 2487 B17R3.8 c1ccc2c(c[nH]c2c1)c3ccncc3 271570a_100012356747_100000035832 [0,1,0,1,0,0|2,0,0]=4 2488 B17R3.8 c1ccc2c(coc2c1)c3ccncc3 271570a_100000084643_100000035832 [0,1,0,1,0,0|1,0,1]=4 2489 B17R3.8 c1ccc2c(coc2c1)c3ccncc3 271570a_100000752145_100009812202 [0,1,0,1,0,0|1,0,1]=4 2490 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 271570a_100000038073_100000035832 [0,1,0,1,0,0|1,1,0]=4 2491 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 271570a_100000752145_100009813928 [0,1,0,1,0,0|1,1,0]=4 2492 B17R3.8 c1ccc2c(n[nH]c2c1)c3ccncc3 271570a_100000752145_100000050141 [0,1,0,1,0,0|2,0,0]=4 2493 B17R3.8 c1cncc(c1)c2c[nH]c3c2cccc3 271570a_100012356747_100000752921 [0,1,0,1,0,0|2,0,0]=4 2494 B17R3.8 c1cncc(c1)c2coc3c2cccc3 271570a_100000084643_100000752921 [0,1,0,1,0,0|1,0,1]=4 2495 B17R3.8 c1cncc(c1)c2coc3c2cccc3 271570a_100000757648_100009812202 [0,1,0,1,0,0|1,0,1]=4 2496 B17R3.8 c1cncc(c1)c2csc3c2cccc3 271570a_100000038073_100000752921 [0,1,0,1,0,0|1,1,0]=4 2497 B17R3.8 c1cncc(c1)c2csc3c2cccc3 271570a_100000757648_100009813928 [0,1,0,1,0,0|1,1,0]=4 2498 B17R3.8 c1cncc(c1)c2n[nH]c3c2cccc3 271570a_100000757648_100000050141 [0,1,0,1,0,0|2,0,0]=4 2499 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_200000210301 [0,1,0,1,0,0|1,0,1]=4 2500 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 2230a_106832991635_100000211598 [0,1,0,1,0,0|1,0,1]=4 2501 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 7a_106832991635_100000211598 [0,1,0,1,0,0|1,0,1]=4 2502 B17R3.182920 COC1c2ccccc2-c3c1cccc3 7a_100000211495_200000210301 [0,1,0,1,0,0|0,0,2]=4 2503 B17R3.182920 CSC1c2ccccc2-c3c1cccc3 62a_100000211598_200000210301 [0,1,0,1,0,0|0,1,1]=4 2504 B17R3.182920 [13CH3]NC1c2ccccc2-c3c1cccc3 2230a_100000104097_200025704644 [0,1,0,1,0,0|1,0,1]=4 2505 B17R3.182920 [13CH3]OC1c2ccccc2-c3c1cccc3 7a_100000211495_200025704644 [0,1,0,1,0,0|0,0,2]=4 2506 B17R3.182920 [13CH3]SC1c2ccccc2-c3c1cccc3 62a_100000211598_200025704644 [0,1,0,1,0,0|0,1,1]=4 2507 B17R3.4408 O=C1c2ccccc2-c3c1cccc3O 271570a_203496583355_100010741556 [0,1,0,1,0,0|0,0,0]=2 2508 B17R3.31819 O=C1c2ccccc2-c3c1cc(cc3)O 271570a_203496583355_100009812156 [0,1,0,1,0,0|0,0,0]=2 2509 B17R3.35227 Oc1c2ccccc2cc3c1cccc3 271570a_203496583355_100000185772 [0,1,0,1,0,0|0,0,1]=3 2510 B17R3.35227 Oc1c2ccccc2nc3c1cccc3 271570a_203496583355_100000044299 [0,1,0,1,0,0|0,0,1]=3 2511 B17R3.51174 O=C1c2ccccc2-c3c1c(ccc3)O 271570a_203496583355_100010704374 [0,1,0,1,0,0|0,0,0]=2 2512 B13R2.3 c1cc(ccn1)c2ccncc2 271570a_100000752145_100000035832 [1,0,0,0,1,0|2,0,0]=4 2513 B13R2.3 c1ccc(cc1)c2ccccc2 271570a_100011218836_100000210277 [1,0,0,0,1,0|0,0,0]=2 2514 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011218836_100011216584 [1,0,0,0,1,0|1,0,0]=3 2515 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011264011_100000210277 [1,0,0,0,1,0|1,0,0]=3 2516 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100000757648_100000210277 [1,0,0,0,1,0|1,0,0]=3 2517 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100011218836_100000752921 [1,0,0,0,1,0|1,0,0]=3 2518 B13R2.3 c1ccc(cc1)c2cccnn2 271570a_100011218836_100016991348 [1,0,0,0,1,0|2,0,0]=4 2519 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100000752145_100000210277 [1,0,0,0,1,0|1,0,0]=3 2520 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100011218836_100000035832 [1,0,0,0,1,0|1,0,0]=3 2521 B13R2.3 c1ccc(cc1)c2ccncn2 271570a_100011218836_100000703185 [1,0,0,0,1,0|2,0,0]=4 2522 B13R2.3 c1ccc(cc1)c2ccnnc2 271570a_100011218836_100000732662 [1,0,0,0,1,0|2,0,0]=4 2523 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011218836_100000758340 [1,0,0,0,1,0|2,0,0]=4 2524 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011962566_100000210277 [1,0,0,0,1,0|2,0,0]=4 2525 B13R2.3 c1ccc(cc1)c2cncnc2 271570a_100000707473_100000210277 [1,0,0,0,1,0|2,0,0]=4 2526 B13R2.3 c1ccc(cc1)c2cncnc2 271570a_100011218836_100011206942 [1,0,0,0,1,0|2,0,0]=4 2527 B13R2.3 c1ccc(cc1)c2ncccn2 271570a_100011218836_100000211032 [1,0,0,0,1,0|2,0,0]=4 2528 B13R2.3 c1ccc(nc1)c2ccccn2 271570a_100011264011_100011216584 [1,0,0,0,1,0|2,0,0]=4 2529 B13R2.3 c1ccc(nc1)c2cccnc2 271570a_100000757648_100011216584 [1,0,0,0,1,0|2,0,0]=4 2530 B13R2.3 c1ccc(nc1)c2cccnc2 271570a_100011264011_100000752921 [1,0,0,0,1,0|2,0,0]=4 2531 B13R2.3 c1ccc(nc1)c2ccncc2 271570a_100000752145_100011216584 [1,0,0,0,1,0|2,0,0]=4 2532 B13R2.3 c1ccc(nc1)c2ccncc2 271570a_100011264011_100000035832 [1,0,0,0,1,0|2,0,0]=4 2533 B13R2.3 c1cncc(c1)c2cccnc2 271570a_100000757648_100000752921 [1,0,0,0,1,0|2,0,0]=4 2534 B13R2.3 c1cncc(c1)c2ccncc2 271570a_100000752145_100000752921 [1,0,0,0,1,0|2,0,0]=4 2535 B13R2.3 c1cncc(c1)c2ccncc2 271570a_100000757648_100000035832 [1,0,0,0,1,0|2,0,0]=4 2536 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100000719477_100009814098 [1,0,0,0,1,0|2,0,0]=4 2537 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100009814098_100000041952 [1,0,0,0,1,0|2,0,0]=4 2538 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100000719477_100011215356 [1,0,0,0,1,0|2,0,0]=4 2539 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100011215356_100000041952 [1,0,0,0,1,0|2,0,0]=4 2540 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100000719477_100011215275 [1,0,0,0,1,0|2,0,0]=4 2541 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100011215275_100000041952 [1,0,0,0,1,0|2,0,0]=4 2542 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000719477_100000738268 [1,0,0,0,1,0|2,0,0]=4 2543 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000738268_100000041952 [1,0,0,0,1,0|2,0,0]=4 2544 B15R2.2195 C(#Cc1ccccc1)c2ccccc2 271570a_100000069678_100000210277 [1,0,0,0,0,1|0,0,1]=3 2545 B15R2.2195 C(#Cc1ccccn1)c2ccccc2 271570a_100000069678_100011216584 [1,0,0,0,0,1|1,0,1]=4 2546 B15R2.2195 C(#Cc1cccnc1)c2ccccc2 271570a_100000069678_100000752921 [1,0,0,0,0,1|1,0,1]=4 2547 B15R2.2195 C(#Cc1ccncc1)c2ccccc2 271570a_100000069678_100000035832 [1,0,0,0,0,1|1,0,1]=4 2548 B15R2.2195 C(=Cc1ccccc1)c2ccccc2 271570a_100102527694_100000210277 [1,0,0,0,0,1|0,0,0]=2 2549 B15R2.2195 C(=Cc1ccccn1)c2ccccc2 271570a_100102527694_100011216584 [1,0,0,0,0,1|1,0,0]=3 2550 B15R2.2195 C(=Cc1ccccn1)c2cccnc2 271570a_100102525586_100011216584 [1,0,0,0,0,1|2,0,0]=4 2551 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102525586_100000210277 [1,0,0,0,0,1|1,0,0]=3 2552 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102527694_100000752921 [1,0,0,0,0,1|1,0,0]=3 2553 B15R2.2195 C(=Cc1cccnc1)c2cccnc2 271570a_100102525586_100000752921 [1,0,0,0,0,1|2,0,0]=4 2554 B15R2.2195 C(=Cc1cccnc1)c2ccncc2 271570a_100102525586_100000035832 [1,0,0,0,0,1|2,0,0]=4 2555 B15R2.2195 C(=Cc1cccnn1)c2ccccc2 271570a_100102527694_100016991348 [1,0,0,0,0,1|2,0,0]=4 2556 B15R2.2195 C(=Cc1ccncc1)c2ccccc2 271570a_100102527694_100000035832 [1,0,0,0,0,1|1,0,0]=3 2557 B15R2.2195 C(=Cc1ccncn1)c2ccccc2 271570a_100102527694_100000703185 [1,0,0,0,0,1|2,0,0]=4 2558 B15R2.2195 C(=Cc1ccnnc1)c2ccccc2 271570a_100102527694_100000732662 [1,0,0,0,0,1|2,0,0]=4 2559 B15R2.2195 C(=Cc1cnccn1)c2ccccc2 271570a_100102527694_100000758340 [1,0,0,0,0,1|2,0,0]=4 2560 B15R2.2195 C(=Cc1cncnc1)c2ccccc2 271570a_100102527694_100011206942 [1,0,0,0,0,1|2,0,0]=4 2561 B15R2.2195 C(=Cc1ncccn1)c2ccccc2 271570a_100102527694_100000211032 [1,0,0,0,0,1|2,0,0]=4 2562 B15R2.2195 c1ccc(cc1)CNc2ccccc2 207a_100000106764_100015611070 [1,0,0,0,0,1|0,0,1]=3 2563 B15R2.2195 c1ccc(cc1)CNc2ccccc2 270302a_100000106764_100015611070 [1,0,0,0,0,1|0,0,1]=3 2564 B15R2.2195 c1ccc(cc1)CNc2ccccc2 34a_100000106764_100015291786 [1,0,0,0,0,1|0,0,1]=3 2565 B15R2.2195 c1ccc(cc1)COc2ccccc2 34a_100000210340_100015291786 [1,0,0,0,0,1|0,0,1]=3 2566 B15R2.2195 c1ccc(cc1)COc2ccccc2 7a_100000210340_100000211182 [1,0,0,0,0,1|0,0,1]=3 2567 B15R2.2195 c1ccc(cc1)COc2cccnc2 34a_100000210849_100015291786 [1,0,0,0,0,1|1,0,1]=4 2568 B15R2.2195 c1ccc(cc1)COc2cccnc2 7a_100000210849_100000211182 [1,0,0,0,0,1|1,0,1]=4 2569 B15R2.2195 c1ccc(cc1)COc2ccncc2 34a_100000212176_100015291786 [1,0,0,0,0,1|1,0,1]=4 2570 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000211182_100000041952 [1,0,0,0,0,1|0,0,1]=3 2571 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000719477_100015291786 [1,0,0,0,0,1|0,0,1]=3 2572 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100000211182_100011216584 [1,0,0,0,0,1|1,0,1]=4 2573 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100011216584_100015291786 [1,0,0,0,0,1|1,0,1]=4 2574 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000210063_100015291786 [1,0,0,0,0,1|1,0,1]=4 2575 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000211182_100000210063 [1,0,0,0,0,1|1,0,1]=4 2576 B15R2.2195 c1ccc(cc1)CSc2ccncc2 62a_100000211182_100000728582 [1,0,0,0,0,1|1,0,1]=4 2577 B15R2.2195 c1ccc(cc1)CSc2ccncc2 62a_100000728582_100015291786 [1,0,0,0,0,1|1,0,1]=4 2578 B15R2.2195 c1ccc(cc1)NCc2ccccn2 207a_100000106764_100000209966 [1,0,0,0,0,1|1,0,1]=4 2579 B15R2.2195 c1ccc(cc1)NCc2ccccn2 270302a_100000106764_100000209966 [1,0,0,0,0,1|1,0,1]=4 2580 B15R2.2195 c1ccc(cc1)NCc2ccccn2 34a_100000106764_100000721315 [1,0,0,0,0,1|1,0,1]=4 2581 B15R2.2195 c1ccc(cc1)NCc2cccnc2 207a_100000106764_100000209961 [1,0,0,0,0,1|1,0,1]=4 2582 B15R2.2195 c1ccc(cc1)NCc2cccnc2 270302a_100000106764_100000209961 [1,0,0,0,0,1|1,0,1]=4 2583 B15R2.2195 c1ccc(cc1)NCc2cccnc2 34a_100000106764_100000733263 [1,0,0,0,0,1|1,0,1]=4 2584 B15R2.2195 c1ccc(cc1)NCc2ccncc2 207a_100000106764_100000186114 [1,0,0,0,0,1|1,0,1]=4 2585 B15R2.2195 c1ccc(cc1)OCc2ccccn2 34a_100000210340_100000721315 [1,0,0,0,0,1|1,0,1]=4 2586 B15R2.2195 c1ccc(cc1)OCc2ccccn2 7a_100000210340_100000721315 [1,0,0,0,0,1|1,0,1]=4 2587 B15R2.2195 c1ccc(cc1)OCc2cccnc2 34a_100000210340_100000733263 [1,0,0,0,0,1|1,0,1]=4 2588 B15R2.2195 c1ccc(cc1)OCc2cccnc2 7a_100000210340_100000741622 [1,0,0,0,0,1|1,0,1]=4 2589 B15R2.2195 c1ccc(cc1)OCc2ccncc2 7a_100000210340_100015193705 [1,0,0,0,0,1|1,0,1]=4 2590 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000719477_100000721315 [1,0,0,0,0,1|1,0,1]=4 2591 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000721315_100000041952 [1,0,0,0,0,1|1,0,1]=4 2592 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000719477_100000741622 [1,0,0,0,0,1|1,0,1]=4 2593 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000741622_100000041952 [1,0,0,0,0,1|1,0,1]=4 2594 B15R2.2195 c1ccc(cc1)SCc2ccncc2 62a_100000719477_100015193705 [1,0,0,0,0,1|1,0,1]=4 2595 B15R2.2195 c1ccc(cc1)SCc2ccncc2 62a_100015193705_100000041952 [1,0,0,0,0,1|1,0,1]=4 2596 B17R2.143 CC(Cc1ccccc1)Nc2ccccc2 34a_100000106764_200011218536 [0,0,0,0,0,2|1,0,1]=4 2597 B17R2.143 CC(Cc1ccccc1)Oc2ccccc2 34a_100000210340_200011218536 [0,0,0,0,0,2|1,0,1]=4 2598 B17R2.143 CC(Cc1ccccc1)Oc2ccccc2 7a_100000210340_200011218536 [0,0,0,0,0,2|1,0,1]=4 2599 B17R2.143 CC(Cc1ccccc1)Sc2ccccc2 62a_100000719477_200011218536 [0,0,0,0,0,2|1,0,1]=4 2600 B17R2.143 CC(Cc1ccccc1)Sc2ccccc2 62a_200011218536_100000041952 [0,0,0,0,0,2|1,0,1]=4 2601 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 2230a_100000185734_200000210301 [0,0,0,0,0,2|2,0,0]=4 2602 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 2230a_100000186898_100015291786 [0,0,0,0,0,2|2,0,0]=4 2603 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 269982a_100000185734_200000210301 [0,0,0,0,0,2|2,0,0]=4 2604 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 269982a_100000186898_100000211182 [0,0,0,0,0,2|2,0,0]=4 2605 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 270004a_100000186898_100015611070 [0,0,0,0,0,2|2,0,0]=4 2606 B17R2.143 O=C(C[n+]1ccccc1)Nc2ccccc2 11a_100000106764_200000086051 [0,0,0,0,0,2|1,0,0]=3 2607 B17R2.143 O=C(C[n+]1ccccc1)Nc2ccccc2 22a_100000106764_200000086051 [0,0,0,0,0,2|1,0,0]=3 2608 B17R2.143 O=C(C[n+]1ccccc1)Nc2ccccc2 527a_100000106764_200000086051 [0,0,0,0,0,2|1,0,0]=3 2609 B17R2.143 O=C(Cc1ccccc1)C[n+]2ccccc2 1458a_200000086051_100015291786 [0,0,0,0,0,2|1,0,0]=3 2610 B17R2.143 O=C(Cc1ccccc1)Cc2ccccn2 1458a_100000233486_100015291786 [0,0,0,0,0,2|1,0,0]=3 2611 B17R2.143 O=C(Cc1ccccc1)Cc2cccnc2 1458a_100000737805_100015291786 [0,0,0,0,0,2|1,0,0]=3 2612 B17R2.143 O=C(Cc1ccccc1)Cc2cncnc2 1458a_100000721575_100015291786 [0,0,0,0,0,2|2,0,0]=4 2613 B17R2.143 O=C(Cc1ccccn1)C[n+]2ccccc2 1458a_200000086051_100000721315 [0,0,0,0,0,2|2,0,0]=4 2614 B17R2.143 O=C(Cc1ccccn1)Cc2ccccn2 1458a_100000233486_100000721315 [0,0,0,0,0,2|2,0,0]=4 2615 B17R2.143 O=C(Cc1ccccn1)Nc2ccccc2 11a_100000106764_100000233486 [0,0,0,0,0,2|1,0,0]=3 2616 B17R2.143 O=C(Cc1ccccn1)Nc2ccccc2 22a_100000106764_100000233486 [0,0,0,0,0,2|1,0,0]=3 2617 B17R2.143 O=C(Cc1cccnc1)C[n+]2ccccc2 1458a_200000086051_100000733263 [0,0,0,0,0,2|2,0,0]=4 2618 B17R2.143 O=C(Cc1cccnc1)Cc2ccccn2 1458a_100000233486_100000733263 [0,0,0,0,0,2|2,0,0]=4 2619 B17R2.143 O=C(Cc1cccnc1)Cc2ccccn2 1458a_100000737805_100000721315 [0,0,0,0,0,2|2,0,0]=4 2620 B17R2.143 O=C(Cc1cccnc1)Cc2cccnc2 1458a_100000737805_100000733263 [0,0,0,0,0,2|2,0,0]=4 2621 B17R2.143 O=C(Cc1cccnc1)Nc2ccccc2 11a_100000106764_100000737805 [0,0,0,0,0,2|1,0,0]=3 2622 B17R2.143 O=C(Cc1cccnc1)Nc2ccccc2 22a_100000106764_100000737805 [0,0,0,0,0,2|1,0,0]=3 2623 B17R2.143 O=C(Cc1cccnc1)Nc2ccccc2 527a_100000106764_100000737805 [0,0,0,0,0,2|1,0,0]=3 2624 B17R2.143 O=C(Cc1ccncc1)C[n+]2ccccc2 1458a_200000086051_100000705612 [0,0,0,0,0,2|2,0,0]=4 2625 B17R2.143 O=C(Cc1ccncc1)Cc2ccccn2 1458a_100000233486_100000705612 [0,0,0,0,0,2|2,0,0]=4 2626 B17R2.143 O=C(Cc1ccncc1)Cc2cccnc2 1458a_100000737805_100000705612 [0,0,0,0,0,2|2,0,0]=4 2627 B17R2.143 O=C(Cc1ccncc1)Nc2ccccc2 11a_100000106764_100011201483 [0,0,0,0,0,2|1,0,0]=3 2628 B17R2.143 O=C(Cc1ccncc1)Nc2ccccc2 22a_100000106764_100011201483 [0,0,0,0,0,2|1,0,0]=3 2629 B17R2.143 O=C(Cc1cnccn1)Nc2ccccc2 11a_100000106764_100000726051 [0,0,0,0,0,2|2,0,0]=4 2630 B17R2.143 O=C(Cc1cnccn1)Nc2ccccc2 22a_100000106764_100000726051 [0,0,0,0,0,2|2,0,0]=4 2631 B17R2.143 O=C(Cc1cnccn1)Nc2ccccc2 527a_100000106764_100000726051 [0,0,0,0,0,2|2,0,0]=4 2632 B17R2.143 O=C(Cc1cncnc1)Nc2ccccc2 11a_100000106764_100000721575 [0,0,0,0,0,2|2,0,0]=4 2633 B17R2.143 O=C(Cc1cncnc1)Nc2ccccc2 22a_100000106764_100000721575 [0,0,0,0,0,2|2,0,0]=4 2634 B17R2.143 O=C(Cc1cncnc1)Nc2ccccc2 527a_100000106764_100000721575 [0,0,0,0,0,2|2,0,0]=4 2635 B17R2.143 [13CH3]N(Cc1ccccc1)Cc2ccccc2 2230a_100000185734_200025704644 [0,0,0,0,0,2|2,0,0]=4 2636 B17R2.143 [13CH3]N(Cc1ccccc1)Cc2ccccc2 269982a_100000185734_200025704644 [0,0,0,0,0,2|2,0,0]=4 2637 B17R2.2342 CC(=NNc1ccccc1)c2ccccc2 4a_100015195140_100000185851 [0,0,0,0,0,2|1,0,0]=3 2638 B17R2.2342 CC(=NNc1ccccc1)c2ccccn2 4a_100015195140_100000210467 [0,0,0,0,0,2|2,0,0]=4 2639 B17R2.2342 CC(=NNc1ccccc1)c2cccnc2 4a_100015195140_100000210468 [0,0,0,0,0,2|2,0,0]=4 2640 B17R2.2342 CC(=NNc1ccccc1)c2ccncc2 4a_100015195140_100000185792 [0,0,0,0,0,2|2,0,0]=4 2641 B17R2.2342 CC(=NNc1ccccn1)c2ccccc2 4a_100000183288_100000185851 [0,0,0,0,0,2|2,0,0]=4 2642 B17R2.2342 CC(=NNc1cccnc1)c2ccccc2 4a_100000728903_100000185851 [0,0,0,0,0,2|2,0,0]=4 2643 B17R2.2342 CC(=NNc1ccncc1)c2ccccc2 4a_100000698918_100000185851 [0,0,0,0,0,2|2,0,0]=4 2644 B17R2.2342 CC(CNc1ccccc1)c2ccccc2 34a_100000106764_100000756946 [0,0,0,0,0,2|1,0,1]=4 2645 B17R2.2342 CC(COc1ccccc1)c2ccccc2 34a_100000210340_100000756946 [0,0,0,0,0,2|1,0,1]=4 2646 B17R2.2342 CC(COc1ccccc1)c2ccccc2 7a_100000210340_100000756946 [0,0,0,0,0,2|1,0,1]=4 2647 B17R2.2342 CC(CSc1ccccc1)c2ccccc2 62a_100000719477_100000756946 [0,0,0,0,0,2|1,0,1]=4 2648 B17R2.2342 CC(CSc1ccccc1)c2ccccc2 62a_100000756946_100000041952 [0,0,0,0,0,2|1,0,1]=4 2649 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 2230a_100015324214_100000230085 [0,0,0,0,0,2|1,0,1]=4 2650 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 269862a_100015324214_100000185851 [0,0,0,0,0,2|1,0,1]=4 2651 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 34a_100015324214_100000211855 [0,0,0,0,0,2|1,0,1]=4 2652 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 34a_100000210790_100000211855 [0,0,0,0,0,2|1,0,1]=4 2653 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 7a_100000210790_100000230085 [0,0,0,0,0,2|1,0,1]=4 2654 B17R2.2342 CC(SCc1ccccc1)c2ccccc2 62a_100000211182_100000230085 [0,0,0,0,0,2|1,0,1]=4 2655 B17R2.2342 CC(SCc1ccccc1)c2ccccc2 62a_100000230085_100015291786 [0,0,0,0,0,2|1,0,1]=4 2656 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 2230a_100000210012_100000765856 [0,0,0,0,0,2|2,0,0]=4 2657 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 269982a_100000210012_100000765856 [0,0,0,0,0,2|2,0,0]=4 2658 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 34a_100000210012_100000765856 [0,0,0,0,0,2|2,0,0]=4 2659 B17R2.2342 CN(CSc1ccccc1)c2ccccc2 2230a_100000210012_100011218342 [0,0,0,0,0,2|2,0,0]=4 2660 B17R2.2342 CN(CSc1ccccc1)c2ccccc2 269982a_100000210012_100011218342 [0,0,0,0,0,2|2,0,0]=4 2661 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 207a_100000751104_100015611070 [0,0,0,0,0,2|1,0,1]=4 2662 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 2230a_100000751104_100015291786 [0,0,0,0,0,2|1,0,1]=4 2663 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 270004a_100000751104_100015611070 [0,0,0,0,0,2|1,0,1]=4 2664 B17R2.2342 C[C@@H](OCc1ccccc1)c2ccccc2 34a_100000761318_100015291786 [0,0,0,0,0,2|1,0,1]=4 2665 B17R2.2342 C[C@@H](OCc1ccccc1)c2ccccc2 7a_100000761318_100000211182 [0,0,0,0,0,2|1,0,1]=4 2666 B17R2.2342 O=C(CCc1ccccc1)c2ccccc2 1458a_100000185807_100000765856 [0,0,0,0,0,2|0,0,0]=2 2667 B17R2.2342 O=C(CCc1ccccn1)c2ccccc2 1458a_100000185807_100015183660 [0,0,0,0,0,2|1,0,0]=3 2668 B17R2.2342 O=C(CCc1cccnc1)c2ccccc2 1458a_100000185807_200011713674 [0,0,0,0,0,2|1,0,0]=3 2669 B17R2.2342 O=C(CCc1ccncc1)c2ccccc2 1458a_100000185807_100000723409 [0,0,0,0,0,2|1,0,0]=3 2670 B17R2.2342 O=C(CNc1ccccc1)c2ccccn2 34a_100000106764_100000027445 [0,0,0,0,0,2|1,0,0]=3 2671 B17R2.2342 O=C(COc1ccccc1)c2ccccc2 7a_100000210340_100000211460 [0,0,0,0,0,2|0,0,0]=2 2672 B17R2.2342 O=C(COc1ccccc1)c2ccccn2 34a_100000210340_100000027445 [0,0,0,0,0,2|1,0,0]=3 2673 B17R2.2342 O=C(COc1ccccc1)c2ccccn2 7a_100000210340_100000027445 [0,0,0,0,0,2|1,0,0]=3 2674 B17R2.2342 O=C(COc1ccccc1)c2ccncc2 7a_100000210340_100015248511 [0,0,0,0,0,2|1,0,0]=3 2675 B17R2.2342 O=C(COc1cccnc1)c2ccccc2 7a_100000210849_100000211460 [0,0,0,0,0,2|1,0,0]=3 2676 B17R2.2342 O=C(COc1cccnc1)c2ccccn2 34a_100000210849_100000027445 [0,0,0,0,0,2|2,0,0]=4 2677 B17R2.2342 O=C(COc1cccnc1)c2ccccn2 7a_100000210849_100000027445 [0,0,0,0,0,2|2,0,0]=4 2678 B17R2.2342 O=C(COc1cccnc1)c2ccncc2 7a_100000210849_100015248511 [0,0,0,0,0,2|2,0,0]=4 2679 B17R2.2342 O=C(COc1ccncc1)c2ccccn2 34a_100000212176_100000027445 [0,0,0,0,0,2|2,0,0]=4 2680 B17R2.2342 O=C(COc1cncnc1)c2ccccc2 7a_100000754086_100000211460 [0,0,0,0,0,2|2,0,0]=4 2681 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000211460_100000041952 [0,0,0,0,0,2|0,0,0]=2 2682 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000719477_100000211460 [0,0,0,0,0,2|0,0,0]=2 2683 B17R2.2342 O=C(CSc1ccccc1)c2ccccn2 62a_100000027445_100000041952 [0,0,0,0,0,2|1,0,0]=3 2684 B17R2.2342 O=C(CSc1ccccc1)c2ccccn2 62a_100000719477_100000027445 [0,0,0,0,0,2|1,0,0]=3 2685 B17R2.2342 O=C(CSc1ccccc1)c2cccnc2 62a_100000719477_100000757877 [0,0,0,0,0,2|1,0,0]=3 2686 B17R2.2342 O=C(CSc1ccccc1)c2cccnc2 62a_100000757877_100000041952 [0,0,0,0,0,2|1,0,0]=3 2687 B17R2.2342 O=C(CSc1ccccc1)c2ccncc2 62a_100000027454_100000041952 [0,0,0,0,0,2|1,0,0]=3 2688 B17R2.2342 O=C(CSc1ccccc1)c2ccncc2 62a_100000719477_100000027454 [0,0,0,0,0,2|1,0,0]=3 2689 B17R2.2342 O=C(CSc1ccccc1)c2ncccn2 62a_100000719477_100020636365 [0,0,0,0,0,2|2,0,0]=4 2690 B17R2.2342 O=C(CSc1ccccc1)c2ncccn2 62a_100020636365_100000041952 [0,0,0,0,0,2|2,0,0]=4 2691 B17R2.2342 O=C(CSc1ccccn1)c2ccccc2 62a_100000211460_100011216584 [0,0,0,0,0,2|1,0,0]=3 2692 B17R2.2342 O=C(CSc1ccccn1)c2ccccc2 62a_100011216584_100000211460 [0,0,0,0,0,2|1,0,0]=3 2693 B17R2.2342 O=C(CSc1ccccn1)c2ccccn2 62a_100000027445_100011216584 [0,0,0,0,0,2|2,0,0]=4 2694 B17R2.2342 O=C(CSc1ccccn1)c2ccccn2 62a_100011216584_100000027445 [0,0,0,0,0,2|2,0,0]=4 2695 B17R2.2342 O=C(CSc1ccccn1)c2cccnc2 62a_100000757877_100011216584 [0,0,0,0,0,2|2,0,0]=4 2696 B17R2.2342 O=C(CSc1ccccn1)c2cccnc2 62a_100011216584_100000757877 [0,0,0,0,0,2|2,0,0]=4 2697 B17R2.2342 O=C(CSc1ccccn1)c2ccncc2 62a_100000027454_100011216584 [0,0,0,0,0,2|2,0,0]=4 2698 B17R2.2342 O=C(CSc1ccccn1)c2ccncc2 62a_100011216584_100000027454 [0,0,0,0,0,2|2,0,0]=4 2699 B17R2.2342 O=C(CSc1cccnc1)c2ccccc2 62a_100000210063_100000211460 [0,0,0,0,0,2|1,0,0]=3 2700 B17R2.2342 O=C(CSc1cccnc1)c2ccccc2 62a_100000211460_100000210063 [0,0,0,0,0,2|1,0,0]=3 2701 B17R2.2342 O=C(CSc1cccnc1)c2ccccn2 62a_100000027445_100000210063 [0,0,0,0,0,2|2,0,0]=4 2702 B17R2.2342 O=C(CSc1cccnc1)c2ccccn2 62a_100000210063_100000027445 [0,0,0,0,0,2|2,0,0]=4 2703 B17R2.2342 O=C(CSc1cccnc1)c2cccnc2 62a_100000210063_100000757877 [0,0,0,0,0,2|2,0,0]=4 2704 B17R2.2342 O=C(CSc1cccnc1)c2cccnc2 62a_100000757877_100000210063 [0,0,0,0,0,2|2,0,0]=4 2705 B17R2.2342 O=C(CSc1cccnc1)c2ccncc2 62a_100000027454_100000210063 [0,0,0,0,0,2|2,0,0]=4 2706 B17R2.2342 O=C(CSc1cccnc1)c2ccncc2 62a_100000210063_100000027454 [0,0,0,0,0,2|2,0,0]=4 2707 B17R2.2342 O=C(CSc1cccnn1)c2ccccc2 62a_100000211460_100016991348 [0,0,0,0,0,2|2,0,0]=4 2708 B17R2.2342 O=C(CSc1cccnn1)c2ccccc2 62a_100016991348_100000211460 [0,0,0,0,0,2|2,0,0]=4 2709 B17R2.2342 O=C(CSc1ccncc1)c2ccccc2 62a_100000211460_100000728582 [0,0,0,0,0,2|1,0,0]=3 2710 B17R2.2342 O=C(CSc1ccncc1)c2ccccc2 62a_100000728582_100000211460 [0,0,0,0,0,2|1,0,0]=3 2711 B17R2.2342 O=C(CSc1ccncc1)c2ccccn2 62a_100000027445_100000728582 [0,0,0,0,0,2|2,0,0]=4 2712 B17R2.2342 O=C(CSc1ccncc1)c2ccccn2 62a_100000728582_100000027445 [0,0,0,0,0,2|2,0,0]=4 2713 B17R2.2342 O=C(CSc1ccncc1)c2cccnc2 62a_100000728582_100000757877 [0,0,0,0,0,2|2,0,0]=4 2714 B17R2.2342 O=C(CSc1ccncc1)c2cccnc2 62a_100000757877_100000728582 [0,0,0,0,0,2|2,0,0]=4 2715 B17R2.2342 O=C(CSc1ccncc1)c2ccncc2 62a_100000027454_100000728582 [0,0,0,0,0,2|2,0,0]=4 2716 B17R2.2342 O=C(CSc1ccncc1)c2ccncc2 62a_100000728582_100000027454 [0,0,0,0,0,2|2,0,0]=4 2717 B17R2.2342 O=C(CSc1ccncn1)c2ccccc2 62a_100000211460_100000703185 [0,0,0,0,0,2|2,0,0]=4 2718 B17R2.2342 O=C(CSc1ccncn1)c2ccccc2 62a_100000703185_100000211460 [0,0,0,0,0,2|2,0,0]=4 2719 B17R2.2342 O=C(CSc1ccnnc1)c2ccccc2 62a_100000211460_100000732662 [0,0,0,0,0,2|2,0,0]=4 2720 B17R2.2342 O=C(CSc1ccnnc1)c2ccccc2 62a_100000732662_100000211460 [0,0,0,0,0,2|2,0,0]=4 2721 B17R2.2342 O=C(CSc1cnccn1)c2ccccc2 62a_100000211460_100000211759 [0,0,0,0,0,2|2,0,0]=4 2722 B17R2.2342 O=C(CSc1cnccn1)c2ccccc2 62a_100000211759_100000211460 [0,0,0,0,0,2|2,0,0]=4 2723 B17R2.2342 O=C(CSc1cncnc1)c2ccccc2 62a_100000211460_100011206942 [0,0,0,0,0,2|2,0,0]=4 2724 B17R2.2342 O=C(CSc1cncnc1)c2ccccc2 62a_100011206942_100000211460 [0,0,0,0,0,2|2,0,0]=4 2725 B17R2.2342 O=C(CSc1ncccn1)c2ccccc2 62a_100000211032_100000211460 [0,0,0,0,0,2|2,0,0]=4 2726 B17R2.2342 O=C(CSc1ncccn1)c2ccccc2 62a_100000211460_100000211032 [0,0,0,0,0,2|2,0,0]=4 2727 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 11a_100015324214_100000185807 [0,0,0,0,0,2|0,0,0]=2 2728 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 1626a_100015324214_100000185807 [0,0,0,0,0,2|0,0,0]=2 2729 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 240690a_100015324214_100000185807 [0,0,0,0,0,2|0,0,0]=2 2730 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 527a_100015324214_100000185807 [0,0,0,0,0,2|0,0,0]=2 2731 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 11a_100000210449_100000185807 [0,0,0,0,0,2|1,0,0]=3 2732 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 1626a_100000210449_100000185807 [0,0,0,0,0,2|1,0,0]=3 2733 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 240690a_100000210449_100000185807 [0,0,0,0,0,2|1,0,0]=3 2734 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 527a_100000210449_100000185807 [0,0,0,0,0,2|1,0,0]=3 2735 B17R2.2342 O=C(NCc1cccnc1)c2ccccc2 11a_100000210453_100000185807 [0,0,0,0,0,2|1,0,0]=3 2736 B17R2.2342 O=C(NCc1cccnc1)c2ccccc2 240690a_100000210453_100000185807 [0,0,0,0,0,2|1,0,0]=3 2737 B17R2.2342 O=C(NCc1cccnc1)c2ccccc2 527a_100000210453_100000185807 [0,0,0,0,0,2|1,0,0]=3 2738 B17R2.2342 O=C(NCc1cccnn1)c2ccccc2 11a_100159270163_100000185807 [0,0,0,0,0,2|2,0,0]=4 2739 B17R2.2342 O=C(NCc1cccnn1)c2ccccc2 240690a_100159270163_100000185807 [0,0,0,0,0,2|2,0,0]=4 2740 B17R2.2342 O=C(NCc1cccnn1)c2ccccc2 527a_100159270163_100000185807 [0,0,0,0,0,2|2,0,0]=4 2741 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 11a_100000210450_100000185807 [0,0,0,0,0,2|1,0,0]=3 2742 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 1626a_100000210450_100000185807 [0,0,0,0,0,2|1,0,0]=3 2743 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 240690a_100000210450_100000185807 [0,0,0,0,0,2|1,0,0]=3 2744 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 527a_100000210450_100000185807 [0,0,0,0,0,2|1,0,0]=3 2745 B17R2.2342 O=C(NCc1ccncn1)c2ccccc2 11a_100000736019_100000185807 [0,0,0,0,0,2|2,0,0]=4 2746 B17R2.2342 O=C(NCc1ccncn1)c2ccccc2 240690a_100000736019_100000185807 [0,0,0,0,0,2|2,0,0]=4 2747 B17R2.2342 O=C(NCc1ccncn1)c2ccccc2 527a_100000736019_100000185807 [0,0,0,0,0,2|2,0,0]=4 2748 B17R2.2342 O=C(NCc1cnccn1)c2ccccc2 11a_100000737960_100000185807 [0,0,0,0,0,2|2,0,0]=4 2749 B17R2.2342 O=C(NCc1cnccn1)c2ccccc2 240690a_100000737960_100000185807 [0,0,0,0,0,2|2,0,0]=4 2750 B17R2.2342 O=C(NCc1cnccn1)c2ccccc2 527a_100000737960_100000185807 [0,0,0,0,0,2|2,0,0]=4 2751 B17R2.2342 O=C(NCc1cncnc1)c2ccccc2 11a_100011243677_100000185807 [0,0,0,0,0,2|2,0,0]=4 2752 B17R2.2342 O=C(NCc1cncnc1)c2ccccc2 240690a_100011243677_100000185807 [0,0,0,0,0,2|2,0,0]=4 2753 B17R2.2342 O=C(NCc1cncnc1)c2ccccc2 527a_100011243677_100000185807 [0,0,0,0,0,2|2,0,0]=4 2754 B17R2.2342 O=C(NCc1ncccn1)c2ccccc2 11a_100015189908_100000185807 [0,0,0,0,0,2|2,0,0]=4 2755 B17R2.2342 O=C(NCc1ncccn1)c2ccccc2 240690a_100015189908_100000185807 [0,0,0,0,0,2|2,0,0]=4 2756 B17R2.2342 O=C(NCc1ncccn1)c2ccccc2 527a_100015189908_100000185807 [0,0,0,0,0,2|2,0,0]=4 2757 B17R2.2342 O=C(NNc1ccccc1)c2ccccc2 22a_100015195140_100000185807 [0,0,0,0,0,2|0,0,0]=2 2758 B17R2.2342 O=C(NNc1ccccn1)c2ccccc2 22a_100000183288_100000185807 [0,0,0,0,0,2|1,0,0]=3 2759 B17R2.2342 O=C(NNc1cccnc1)c2ccccc2 22a_100000728903_100000185807 [0,0,0,0,0,2|1,0,0]=3 2760 B17R2.2342 O=C(NNc1cccnn1)c2ccccc2 22a_100000757824_100000185807 [0,0,0,0,0,2|2,0,0]=4 2761 B17R2.2342 O=C(NNc1ccncc1)c2ccccc2 22a_100000698918_100000185807 [0,0,0,0,0,2|1,0,0]=3 2762 B17R2.2342 O=C(NNc1ccncn1)c2ccccc2 22a_100011438088_100000185807 [0,0,0,0,0,2|2,0,0]=4 2763 B17R2.2342 O=C(NNc1cnccn1)c2ccccc2 22a_100000736894_100000185807 [0,0,0,0,0,2|2,0,0]=4 2764 B17R2.2342 O=C(NNc1ncccn1)c2ccccc2 22a_100000736892_100000185807 [0,0,0,0,0,2|2,0,0]=4 2765 B17R2.2342 O=S(CSc1ccccc1)c2ccccc2 62a_100000719477_100000031784 [0,0,0,0,0,2|1,0,0]=3 2766 B17R2.2342 O=S(CSc1ccccn1)c2ccccc2 62a_100011216584_100000031784 [0,0,0,0,0,2|2,0,0]=4 2767 B17R2.2342 O=S(CSc1cccnc1)c2ccccc2 62a_100000210063_100000031784 [0,0,0,0,0,2|2,0,0]=4 2768 B17R2.2342 O=S(CSc1ccncc1)c2ccccc2 62a_100000728582_100000031784 [0,0,0,0,0,2|2,0,0]=4 2769 B17R2.2342 OC(CNc1ccccc1)c2ccccc2 34a_100000106764_100000185958 [0,0,0,0,0,2|0,0,2]=4 2770 B17R2.2342 OC(COc1ccccc1)c2ccccc2 34a_100000210340_100000185958 [0,0,0,0,0,2|0,0,2]=4 2771 B17R2.2342 OC(COc1ccccc1)c2ccccc2 7a_100000210340_100000185958 [0,0,0,0,0,2|0,0,2]=4 2772 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 62a_100000185958_100000041952 [0,0,0,0,0,2|0,0,2]=4 2773 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 62a_100000719477_100000185958 [0,0,0,0,0,2|0,0,2]=4 2774 B17R2.2342 O[C@H](CNc1ccccc1)c2ccccc2 34a_100000106764_100011933945 [0,0,0,0,0,2|0,0,2]=4 2775 B17R2.2342 O[C@H](COc1ccccc1)c2ccccc2 34a_100000210340_100011933945 [0,0,0,0,0,2|0,0,2]=4 2776 B17R2.2342 O[C@H](COc1ccccc1)c2ccccc2 7a_100000210340_100011933945 [0,0,0,0,0,2|0,0,2]=4 2777 B17R2.2342 O[C@H](CSc1ccccc1)c2ccccc2 62a_100000719477_100011933945 [0,0,0,0,0,2|0,0,2]=4 2778 B17R2.2342 O[C@H](CSc1ccccc1)c2ccccc2 62a_100011933945_100000041952 [0,0,0,0,0,2|0,0,2]=4