0 B19R2.10808 C=C(c1ccccc1)c2cn[nH]c2C(=O)OCC 271570a_100000068269_100102524952 [0,0,0,0,0,0|2,0,2]=4 1 B19R2.10808 C=C(c1ccccc1)c2cscc2C(=O)OCC 271570a_100000068269_100012353568 [0,0,0,0,0,0|2,0,2]=4 2 B19R2.10808 CCOC(=O)[C@@H]1CCCN1C(C)c2ccccc2 2230a_100000703725_100000230085 [0,0,0,0,0,0|1,0,3]=4 3 B19R2.10808 CCOC(=O)[C@@H]1CCCN1C(C)c2ccccc2 269982a_100000703725_100000230085 [0,0,0,0,0,0|1,0,3]=4 4 B19R2.10808 CCOC(=O)[C@@H]1CSCN1C(C)c2ccccc2 269982a_100016989239_100000230085 [0,0,0,0,0,0|1,0,3]=4 5 B18R2.8052 CCOC(=O)c1[nH]ncc1Sc2ccccc2 62a_100000719477_100102524952 [1,0,0,0,0,0|3,0,0]=4 6 B18R2.8052 CCOC(=O)c1cscc1Sc2ccccc2 62a_100000719477_100012353568 [1,0,0,0,0,0|3,0,0]=4 7 B18R1.918 CCOC(=O)/C=C/CNCC(C)c1ccccc1 2230a_100000701038_100016267167 [0,0,1,0,0,0|3,0,0]=4 8 B18R1.918 CCOC(=O)/C=C/CNCC(C)c1ccccc1 34a_100000701038_100016267167 [0,0,1,0,0,0|3,0,0]=4 9 B18R1.918 CCOC(=O)/C=C/COCC(C)c1ccccc1 34a_100011215166_100016267167 [0,0,1,0,0,0|3,0,0]=4 10 B18R1.918 CCOC(=O)/C=C/COCC(C)c1ccccc1 7a_100011215166_100016267167 [0,0,1,0,0,0|3,0,0]=4 11 B18R1.918 CCOC(=O)/C=C/CSCC(C)c1ccccc1 62a_100000756946_100016267167 [0,0,1,0,0,0|3,0,0]=4 12 B18R1.918 CCOC(=O)/C=C/CSCC(C)c1ccccc1 62a_100016267167_100000756946 [0,0,1,0,0,0|3,0,0]=4 13 B18R1.5645 C=CCN(CC(=O)OCC)[C@@H](C)c1ccccc1 2230a_100011939997_100000210623 [0,0,1,0,0,0|1,0,2]=4 14 B18R1.5645 C=CCN(CC(=O)OCC)[C@@H](C)c1ccccc1 269982a_100011939997_100000210623 [0,0,1,0,0,0|1,0,2]=4 15 B20R2.13793 C=C(c1ccccc1)c2cncc(c2)C(=O)OCC 271570a_100000068269_100000170250 [0,0,0,0,0,1|1,0,2]=4 16 B20R2.13793 C=C(c1ccccc1)c2cncc(n2)C(=O)OCC 271570a_100000068269_100012185986 [0,0,0,0,0,1|1,0,2]=4 17 B20R2.13887 C=C(c1ccccc1)c2ccncc2C(=O)OCC 271570a_100000068269_100016987518 [0,0,0,0,0,1|1,0,2]=4 18 B20R2.13887 C=C(c1ccccc1)c2cnccc2C(=O)OCC 271570a_100000068269_100010238393 [0,0,0,0,0,1|1,0,2]=4 19 B20R2.13887 C=C(c1ccccc1)c2cncnc2C(=O)OCC 271570a_100000068269_100012344254 [0,0,0,0,0,1|1,0,2]=4 20 B20R2.13887 C=C(c1ccccc1)c2ncncc2C(=O)OCC 271570a_100000068269_100011998183 [0,0,0,0,0,1|1,0,2]=4 21 B20R2.14035 CCOC(=O)c1[nH]ncc1CC(C)c2ccccc2 271570a_100000062452_100102524952 [0,0,0,0,0,1|2,0,0]=3 22 B20R2.14035 CCOC(=O)c1[nH]ncc1SC(C)c2ccccc2 62a_100000230085_100102524952 [0,0,0,0,0,1|2,0,0]=3 23 B20R2.14035 CCOC(=O)c1c[nH]nc1CC(C)c2ccccc2 271570a_100000062452_100010255357 [0,0,0,0,0,1|2,0,1]=4 24 B20R2.14035 CCOC(=O)c1c[nH]nc1SC(C)c2ccccc2 62a_100000230085_100010255357 [0,0,0,0,0,1|2,0,1]=4 25 B20R2.14035 CCOC(=O)c1ccsc1CC(C)c2ccccc2 271570a_100000062452_100010219215 [0,0,0,0,0,1|3,0,0]=4 26 B20R2.14035 CCOC(=O)c1ccsc1SC(C)c2ccccc2 62a_100000230085_100010219215 [0,0,0,0,0,1|3,0,0]=4 27 B20R2.14035 CCOC(=O)c1cscc1CC(C)c2ccccc2 271570a_100000062452_100012353568 [0,0,0,0,0,1|2,0,0]=3 28 B20R2.14035 CCOC(=O)c1cscc1SC(C)c2ccccc2 62a_100000230085_100012353568 [0,0,0,0,0,1|2,0,0]=3 29 B17R1.995 CCOC(=O)C=CC=NNCc1ccccc1 4a_100000007032_100016289910 [1,0,1,0,0,0|2,0,0]=4 30 B17R1.991 CCOC(=O)C(=O)N(C)C(C)c1ccccc1 11a_100000195388_100014798877 [1,0,1,0,0,0|1,0,1]=4 31 B17R1.991 CCOC(=O)C(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100014798877 [1,0,1,0,0,0|1,0,1]=4 32 B17R1.991 CCOC(=O)C(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100014798877 [1,0,1,0,0,0|1,0,1]=4 33 B17R2.185 CCCCc1cncn1Cc2ccccc2 271570a_100020621405_100010116847 [2,0,0,0,0,0|1,0,1]=4 34 B17R2.185 CCCSc1cncn1Cc2ccccc2 62a_100000210303_100010116847 [2,0,0,0,0,0|2,0,0]=4 35 B17R2.185 CCCSc1cncn1Cc2ccccc2 62a_100010116847_100000210303 [2,0,0,0,0,0|2,0,0]=4 36 B17R2.185 CCNCc1cncn1Cc2ccccc2 207a_100015525214_100011218893 [2,0,0,0,0,0|1,0,1]=4 37 B17R2.185 CCNCc1cncn1Cc2ccccc2 2230a_100015525214_100000709293 [2,0,0,0,0,0|1,0,1]=4 38 B17R2.185 CCNCc1cncn1Cc2ccccc2 270004a_100015525214_100011218893 [2,0,0,0,0,0|1,0,1]=4 39 B17R2.185 CCOCc1cncn1Cc2ccccc2 34a_100000709292_100000210202 [2,0,0,0,0,0|0,0,1]=3 40 B17R2.185 CCOCc1cncn1Cc2ccccc2 34a_100121572206_100000709293 [2,0,0,0,0,0|0,0,1]=3 41 B17R2.185 CCSCc1cncn1Cc2ccccc2 62a_100000210202_100000709293 [2,0,0,0,0,0|0,1,1]=4 42 B17R2.185 CCSCc1cncn1Cc2ccccc2 62a_100000709293_100000210202 [2,0,0,0,0,0|0,1,1]=4 43 B17R2.185 FCOCc1cncn1Cc2ccccc2 34a_100000709292_100015361967 [2,0,0,0,0,0|1,0,1]=4 44 B19R1.40530 C=CC(=O)N(CC(=O)OCC)[C@@H](C)c1ccccc1 1626a_100011939997_100000185746 [0,1,1,0,0,0|1,0,1]=4 45 B19R1.40530 C=CC(=O)N(CC(=O)OCC)[C@@H](C)c1ccccc1 240690a_100011939997_200121576911 [0,1,1,0,0,0|1,0,1]=4 46 B19R2.9305 CCNc1ccnc(n1)N[C@H](C)c2ccccc2 27a_100000751104_100011649949 [0,0,1,1,0,0|2,0,0]=4 47 B19R2.9305 CCOc1cc(ncn1)N[C@H](C)c2ccccc2 27a_100000751104_100000765465 [0,0,1,1,0,0|2,0,0]=4 48 B19R2.9305 CCOc1cccc(c1)NC(C)c2ccccc2 2230a_100000742568_100000230085 [0,0,1,1,0,0|2,0,0]=4 49 B19R2.9305 CCOc1cccc(c1)NC(C)c2ccccc2 34a_100000742568_100000211855 [0,0,1,1,0,0|2,0,0]=4 50 B19R2.9305 CCOc1ccnc(c1)CC(C)c2ccccc2 271570a_100000062452_100011922638 [0,0,1,1,0,0|2,0,0]=4 51 B19R2.9305 CCOc1ccnc(c1)NC(C)c2ccccn2 27a_100000181244_100009995529 [0,0,1,1,0,0|2,0,0]=4 52 B19R2.9305 CCOc1ccnc(c1)NC(C)c2cccnc2 27a_100000195435_100009995529 [0,0,1,1,0,0|2,0,0]=4 53 B19R2.9305 CCOc1ccnc(c1)NC(C)c2ccncc2 27a_100000181269_100009995529 [0,0,1,1,0,0|2,0,0]=4 54 B19R2.9305 CCOc1ccnc(c1)N[C@H](C)c2ccccc2 27a_100000751104_100009995529 [0,0,1,1,0,0|1,0,0]=3 55 B19R2.9305 CCOc1ccnc(c1)SC(C)c2ccccc2 62a_100000230085_100011922638 [0,0,1,1,0,0|2,0,0]=4 56 B19R2.9305 CCOc1ccnc(c1)SC(C)c2ccccc2 62a_100009995529_100000230085 [0,0,1,1,0,0|2,0,0]=4 57 B19R2.9305 CCOc1ccnc(n1)CC(C)c2ccccc2 271570a_100000062452_100011649779 [0,0,1,1,0,0|2,0,0]=4 58 B19R2.9305 CCOc1ccnc(n1)NC(C)c2ccccn2 27a_100000181244_100011649779 [0,0,1,1,0,0|2,0,0]=4 59 B19R2.9305 CCOc1ccnc(n1)NC(C)c2cccnc2 27a_100000195435_100011649779 [0,0,1,1,0,0|2,0,0]=4 60 B19R2.9305 CCOc1ccnc(n1)NC(C)c2ccncc2 27a_100000181269_100011649779 [0,0,1,1,0,0|2,0,0]=4 61 B19R2.9305 CCOc1ccnc(n1)N[C@H](C)c2ccccc2 27a_100000751104_100011649779 [0,0,1,1,0,0|1,0,0]=3 62 B19R2.9305 CCOc1ccnc(n1)SC(C)c2ccccc2 62a_100000230085_100011649779 [0,0,1,1,0,0|2,0,0]=4 63 B19R2.9305 CCOc1ccnc(n1)SC(C)c2ccccc2 62a_100011649779_100000230085 [0,0,1,1,0,0|2,0,0]=4 64 B19R2.9461 CCCc1ncncc1N[C@H](C)c2ccccc2 27a_100000751104_100009816987 [0,0,1,1,0,0|2,0,0]=4 65 B19R2.9461 CCOc1ccccc1NC(C)c2ccccc2 34a_100000211218_100000211855 [0,0,1,1,0,0|2,0,0]=4 66 B19R3.2385 C1=C(CCC1)c2cncn2Cc3ccccc3 271570a_100000089523_100010116847 [1,0,0,1,0,0|2,0,0]=4 67 B19R3.324123 C=C(c1cncn1Cc2ccccc2)C3CC3 271570a_100010895485_100010116847 [1,0,0,1,0,0|2,0,0]=4 68 B21R3.26679 CCOC(=O)c1[nH]ncc1SC2Cc3c2cccc3 62a_100009813401_100102524952 [0,0,0,1,0,1|2,0,0]=4 69 B21R3.26679 CCOC(=O)c1cscc1SC2Cc3c2cccc3 62a_100009813401_100012353568 [0,0,0,1,0,1|2,0,0]=4 70 B17R1.956 CCOC(=O)/C=C/CNC(C)c1ccccn1 2230a_100000181244_100016267167 [0,0,1,0,1,0|1,0,1]=4 71 B17R1.956 CCOC(=O)/C=C/CNC(C)c1cccnc1 2230a_100000195435_100016267167 [0,0,1,0,1,0|1,0,1]=4 72 B17R1.956 CCOC(=O)/C=C/CNC(C)c1ccncc1 2230a_100000181269_100016267167 [0,0,1,0,1,0|1,0,1]=4 73 B17R1.956 CCOC(=O)/C=C/CN[C@H](C)c1ccccc1 2230a_100000751104_100016267167 [0,0,1,0,1,0|0,0,1]=3 74 B17R1.956 CCOC(=O)/C=C/CO[C@H](C)c1ccccc1 34a_100000761318_100016267167 [0,0,1,0,1,0|1,0,1]=4 75 B17R1.956 CCOC(=O)/C=C/CO[C@H](C)c1ccccc1 7a_100000761318_100016267167 [0,0,1,0,1,0|1,0,1]=4 76 B17R1.956 CCOC(=O)/C=C/CSC(C)c1ccccc1 62a_100000230085_100016267167 [0,0,1,0,1,0|1,0,1]=4 77 B17R1.956 CCOC(=O)/C=C/CSC(C)c1ccccc1 62a_100016267167_100000230085 [0,0,1,0,1,0|1,0,1]=4 78 B17R2.179 CCOC(=O)c1[nH]ncc1c2ccccc2 271570a_100011218836_100102524952 [1,0,0,0,1,0|2,0,0]=4 79 B17R2.179 CCOC(=O)c1cscc1c2ccccc2 271570a_100011218836_100012353568 [1,0,0,0,1,0|2,0,0]=4 80 B19R2.268 CCOC(=O)c1cncc(c1)Sc2ccccc2 62a_100000170250_100000041952 [1,0,0,0,0,1|2,0,0]=4 81 B19R2.268 CCOC(=O)c1cncc(c1)Sc2ccccc2 62a_100000719477_100000170250 [1,0,0,0,0,1|2,0,0]=4 82 B19R2.268 CCOC(=O)c1cncc(n1)Nc2ccccc2 27a_100000106764_100012185986 [1,0,0,0,0,1|2,0,0]=4 83 B19R2.268 CCOC(=O)c1cncc(n1)Sc2ccccc2 62a_100000719477_100012185986 [1,0,0,0,0,1|2,0,0]=4 84 B19R2.268 CCOC(=O)c1cncc(n1)Sc2ccccc2 62a_100012185986_100000041952 [1,0,0,0,0,1|2,0,0]=4 85 B19R2.10501 CCOC(=O)c1ccncc1Sc2ccccc2 62a_100000719477_100010238393 [1,0,0,0,0,1|2,0,0]=4 86 B19R2.10501 CCOC(=O)c1ccncc1Sc2ccccc2 62a_100010238393_100000041952 [1,0,0,0,0,1|2,0,0]=4 87 B19R2.10501 CCOC(=O)c1cnccc1Nc2ccccc2 27a_100000106764_100016987518 [1,0,0,0,0,1|2,0,0]=4 88 B19R2.10501 CCOC(=O)c1cnccc1Sc2ccccc2 62a_100000719477_100016987518 [1,0,0,0,0,1|2,0,0]=4 89 B19R2.10501 CCOC(=O)c1cncnc1Nc2ccccc2 27a_100000106764_100011998183 [1,0,0,0,0,1|2,0,0]=4 90 B19R2.10501 CCOC(=O)c1cncnc1Sc2ccccc2 62a_100000719477_100011998183 [1,0,0,0,0,1|2,0,0]=4 91 B19R2.10501 CCOC(=O)c1ncncc1Nc2ccccc2 27a_100000106764_100012344254 [1,0,0,0,0,1|2,0,0]=4 92 B19R2.10501 CCOC(=O)c1ncncc1Sc2ccccc2 62a_100000719477_100012344254 [1,0,0,0,0,1|2,0,0]=4 93 B19R2.10501 CCOC(=O)c1ncncc1Sc2ccccc2 62a_100012344254_100000041952 [1,0,0,0,0,1|2,0,0]=4 94 B19R2.10721 CCOC(=O)c1[nH]ncc1CNc2ccccc2 270302a_100000106764_100000685992 [1,0,0,0,0,1|2,0,0]=4 95 B19R2.10721 CCOC(=O)c1[nH]ncc1SCc2ccccc2 62a_100000211182_100102524952 [1,0,0,0,0,1|2,0,0]=4 96 B19R2.10721 CCOC(=O)c1cscc1SCc2ccccc2 62a_100000211182_100012353568 [1,0,0,0,0,1|2,0,0]=4 97 B19R2.10855 CC#CC(=O)Cc1cncn1Cc2ccccc2 1458a_100000763181_100000709293 [1,0,0,0,0,1|1,0,1]=4 98 B19R2.10855 CC=CC(=O)Cc1cncn1Cc2ccccc2 1458a_100000210699_100000709293 [1,0,0,0,0,1|1,0,1]=4 99 B19R2.10855 CCCC(=O)Cc1cncn1Cc2ccccc2 1458a_100000211992_100000709293 [1,0,0,0,0,1|1,0,0]=3 100 B19R2.10855 COCC(=O)Cc1cncn1Cc2ccccc2 1458a_100000210968_100000709293 [1,0,0,0,0,1|2,0,0]=4 101 B19R2.10855 CSCC(=O)Cc1cncn1Cc2ccccc2 1458a_100000184570_100000709293 [1,0,0,0,0,1|2,0,0]=4 102 B19R2.10855 O=C(CCO)Cc1cncn1Cc2ccccc2 1458a_100011216618_100000709293 [1,0,0,0,0,1|2,0,0]=4 103 B19R2.12875 COC(=O)c1[nH]ncc1CC(C)c2ccccc2 271570a_100000062452_100011934057 [1,0,0,0,0,1|2,0,0]=4 104 B19R2.12875 COC(=O)c1[nH]ncc1SC(C)c2ccccc2 62a_100000230085_100012355743 [1,0,0,0,0,1|2,0,0]=4 105 B19R2.12875 COC(=O)c1cscc1CC(C)c2ccccc2 271570a_100000062452_100012351140 [1,0,0,0,0,1|2,0,0]=4 106 B19R2.12875 COC(=O)c1cscc1SC(C)c2ccccc2 62a_100000230085_100012351140 [1,0,0,0,0,1|2,0,0]=4 107 B19R2.12875 COC(=O)c1cscc1SC(C)c2ccccc2 62a_100012351140_100000230085 [1,0,0,0,0,1|2,0,0]=4 108 B19R2.10578 CCNC(=O)c1cn(nn1)C(C)c2ccccc2 274090a_100000230085_100012024860 [0,0,0,0,1,1|2,0,0]=4 109 B19R2.10578 CCOC(=O)c1cn(nn1)C(C)c2ccccc2 274090a_100000230085_100000211265 [0,0,0,0,1,1|1,0,0]=3