0 B17R3.127913 C(=NNC1CC1)c2cccc3c2[nH]cc3 4a_100000701032_100000750900 [0,0,0,0,0,0|2,0,2]=4 1 B17R3.127913 C(=NNC1CC1)c2cccc3c2occ3 4a_100000701032_100000050329 [0,0,0,0,0,0|1,1,2]=4 2 B17R3.127913 C(=NNC1CC1)c2cccc3c2scc3 4a_100000701032_100011934923 [0,0,0,0,0,0|1,0,2]=3 3 B17R3.127913 C1=Cc2cccc(c2C1)SCCC3CC3 62a_100000764125_100009844718 [0,0,0,0,0,0|3,0,0]=3 4 B17R3.127913 C1=Cc2cccc(c2C1)SCCC3CC3 62a_100009844718_100000764125 [0,0,0,0,0,0|3,0,0]=3 5 B17R3.127913 C1=Cc2cccc(c2C1)SCCC3CO3 62a_100000732470_100009844718 [0,0,0,0,0,0|4,0,0]=4 6 B17R3.127913 C1=Cc2cccc(c2C1)SCCC3CO3 62a_100009844718_100000732470 [0,0,0,0,0,0|4,0,0]=4 7 B17R3.127913 c1cc(c2[nH]ccc2c1)CNCC3CC3 207a_100000735609_100000750900 [0,0,0,0,0,0|1,0,0]=1 8 B17R3.127913 c1cc(c2[nH]ccc2c1)CNCC3CC3 270004a_100000735609_100000750900 [0,0,0,0,0,0|1,0,0]=1 9 B17R3.127913 c1cc(c2[nH]ccc2c1)SCCC3CC3 62a_100000764125_100009813418 [0,0,0,0,0,0|3,0,0]=3 10 B17R3.127913 c1cc(c2[nH]ccc2c1)SCCC3CO3 62a_100000732470_100009813418 [0,0,0,0,0,0|4,0,0]=4 11 B17R3.127913 c1cc(c2[nH]ccc2n1)SCCC3CC3 62a_100000764125_100000087553 [0,0,0,0,0,0|4,0,0]=4 12 B17R3.127913 c1cc(c2[nH]cnc2c1)CNCC3CC3 207a_100000735609_100000100021 [0,0,0,0,0,0|2,0,0]=2 13 B17R3.127913 c1cc(c2[nH]cnc2c1)CNCC3CC3 270004a_100000735609_100000100021 [0,0,0,0,0,0|2,0,0]=2 14 B17R3.127913 c1cc(c2[nH]ncc2c1)CNCC3CC3 207a_100000735609_100000068382 [0,0,0,0,0,0|2,0,0]=2 15 B17R3.127913 c1cc(c2[nH]ncc2c1)CNCC3CC3 2230a_100000735609_100000099550 [0,0,0,0,0,0|2,0,0]=2 16 B17R3.127913 c1cc(c2[nH]ncc2c1)CNCC3CC3 269862a_100000099547_100000741477 [0,0,0,0,0,0|2,0,0]=2 17 B17R3.127913 c1cc(c2[nH]ncc2c1)CNCC3CC3 270004a_100000735609_100000068382 [0,0,0,0,0,0|2,0,0]=2 18 B17R3.127913 c1cc(c2[nH]ncc2c1)CNCC3CC3 34a_100000735609_100000099550 [0,0,0,0,0,0|2,0,0]=2 19 B17R3.127913 c1cc(c2[nH]ncc2c1)COCC3CC3 34a_100000211283_100000099550 [0,0,0,0,0,0|3,0,0]=3 20 B17R3.127913 c1cc(c2[nH]ncc2c1)COC[C@@H]3CO3 34a_100000757423_100000099550 [0,0,0,0,0,0|4,0,0]=4 21 B17R3.127913 c1cc(c2[nH]ncc2c1)CSCC3CC3 62a_100000756562_100000099550 [0,0,0,0,0,0|3,0,0]=3 22 B17R3.127913 c1cc(c2[nH]ncc2c1)CSCC3CO3 62a_102125554688_100000099550 [0,0,0,0,0,0|4,0,0]=4 23 B17R3.127913 c1cc(c2[nH]ncc2c1)CSCC3CS3 62a_100000031435_100000099550 [0,0,0,0,0,0|4,0,0]=4 24 B17R3.127913 c1cc(c2[nH]ncc2c1)CSC[C@@H]3CO3 62a_100000745022_100000099550 [0,0,0,0,0,0|4,0,0]=4 25 B17R3.127913 c1cc(c2[nH]ncc2c1)SCCC3CC3 62a_100000764125_100009816125 [0,0,0,0,0,0|4,0,0]=4 26 B17R3.127913 c1cc(c2c(c1)OCC2)CNCC3CC3 207a_100000735609_100000045544 [0,0,0,0,0,0|2,0,1]=3 27 B17R3.127913 c1cc(c2c(c1)OCC2)CNCC3CC3 270004a_100000735609_100000045544 [0,0,0,0,0,0|2,0,1]=3 28 B17R3.127913 c1cc(c2c(c1)OCO2)CNCC3CC3 207a_100000735609_100000028116 [0,0,0,0,0,0|1,1,1]=3 29 B17R3.127913 c1cc(c2c(c1)OCO2)CNCC3CC3 2230a_100000743722_100000742324 [0,0,0,0,0,0|1,1,1]=3 30 B17R3.127913 c1cc(c2c(c1)OCO2)CNCC3CC3 269862a_100000743722_100000741477 [0,0,0,0,0,0|1,1,1]=3 31 B17R3.127913 c1cc(c2c(c1)OCO2)CNCC3CC3 34a_100000743722_100000742324 [0,0,0,0,0,0|1,1,1]=3 32 B17R3.127913 c1cc(c2c(c1)OCO2)CNCC3CO3 2230a_100000743722_100011216344 [0,0,0,0,0,0|2,1,1]=4 33 B17R3.127913 c1cc(c2c(c1)OCO2)CNCC3CO3 34a_100000743722_102125554688 [0,0,0,0,0,0|2,1,1]=4 34 B17R3.127913 c1cc(c2c(c1)OCO2)COCC3CC3 34a_100011219355_100000742324 [0,0,0,0,0,0|2,1,1]=4 35 B17R3.127913 c1cc(c2c(c1)OCO2)CSCC3CC3 62a_100010369185_100000742324 [0,0,0,0,0,0|2,1,1]=4 36 B17R3.127913 c1cc(c2cc[nH]c2c1)CNCC3CC3 207a_100000735609_100000750904 [0,0,0,0,0,0|2,0,0]=2 37 B17R3.127913 c1cc(c2cc[nH]c2c1)CNCC3CC3 269862a_100011912549_100000741477 [0,0,0,0,0,0|2,0,0]=2 38 B17R3.127913 c1cc(c2cc[nH]c2c1)OCCC3CC3 34a_100000763377_100000694398 [0,0,0,0,0,0|4,0,0]=4 39 B17R3.127913 c1cc(c2cc[nH]c2c1)SCCC3CC3 62a_100000764125_100000685724 [0,0,0,0,0,0|4,0,0]=4 40 B17R3.127913 c1cc(c2ccoc2c1)SCCC3CC3 62a_100000764125_100000756496 [0,0,0,0,0,0|4,0,0]=4 41 B17R3.127913 c1cc(c2ccsc2c1)CNCC3CC3 207a_100000735609_100009860987 [0,0,0,0,0,0|2,0,0]=2 42 B17R3.127913 c1cc(c2ccsc2c1)CNCC3CC3 270004a_100000735609_100009860987 [0,0,0,0,0,0|2,0,0]=2 43 B17R3.127913 c1cc(c2ccsc2c1)NCCC3CC3 34a_100020628958_100000694398 [0,0,0,0,0,0|4,0,0]=4 44 B17R3.127913 c1cc(c2ccsc2c1)OCCC3CC3 34a_100000077759_100000694398 [0,0,0,0,0,0|4,0,0]=4 45 B17R3.127913 c1cc(c2ccsc2c1)OCCC3CC3 7a_100000077759_100000764125 [0,0,0,0,0,0|4,0,0]=4 46 B17R3.127913 c1cc(c2ccsc2c1)SCCC3CC3 62a_100000764125_100009816950 [0,0,0,0,0,0|4,0,0]=4 47 B17R3.127913 c1cc(c2cn[nH]c2c1)CNCC3CC3 207a_100000735609_100000068380 [0,0,0,0,0,0|3,0,0]=3 48 B17R3.127913 c1cc(c2cn[nH]c2c1)CNCC3CC3 2230a_100000735609_100020636439 [0,0,0,0,0,0|3,0,0]=3 49 B17R3.127913 c1cc(c2cn[nH]c2c1)CNCC3CC3 269862a_100000099548_100000741477 [0,0,0,0,0,0|3,0,0]=3 50 B17R3.127913 c1cc(c2cn[nH]c2c1)CNCC3CC3 270004a_100000735609_100000068380 [0,0,0,0,0,0|3,0,0]=3 51 B17R3.127913 c1cc(c2cn[nH]c2c1)CNCC3CC3 34a_100000735609_100020636439 [0,0,0,0,0,0|3,0,0]=3 52 B17R3.127913 c1cc(c2cn[nH]c2c1)COCC3CC3 34a_100000211283_100020636439 [0,0,0,0,0,0|4,0,0]=4 53 B17R3.127913 c1cc(c2cn[nH]c2c1)CSCC3CC3 62a_100000756562_100020636439 [0,0,0,0,0,0|4,0,0]=4 54 B17R3.127913 c1cc(c2nc[nH]c2c1)SCCC3CC3 62a_100000764125_100011935113 [0,0,0,0,0,0|4,0,0]=4 55 B17R3.127913 c1cc(c2nccn2c1)CNCC3CC3 207a_100000735609_100000084367 [0,0,0,0,0,0|2,0,0]=2 56 B17R3.127913 c1cc(c2nccn2c1)CNCC3CC3 270004a_100000735609_100000084367 [0,0,0,0,0,0|2,0,0]=2 57 B17R3.127913 c1cc(c2nccn2c1)OCCC3CC3 34a_100000068405_100000694398 [0,0,0,0,0,0|4,0,0]=4 58 B17R3.127913 c1cc(c2nccn2c1)OCCC3CC3 7a_100000068405_100000764125 [0,0,0,0,0,0|4,0,0]=4 59 B17R3.127913 c1cc(c2nccn2c1)SCCC3CC3 62a_100000764125_100011934911 [0,0,0,0,0,0|4,0,0]=4 60 B17R3.127913 c1cc(c2ncoc2c1)NCCC3CC3 34a_100000717946_100000694398 [0,0,0,0,0,0|4,0,0]=4 61 B17R3.127913 c1cc(c2ncoc2c1)SCCC3CC3 62a_100000764125_100009816834 [0,0,0,0,0,0|4,0,0]=4 62 B17R3.127913 c1cc(c2ncsc2c1)CNCC3CC3 2230a_100000735609_100010883896 [0,0,0,0,0,0|2,0,0]=2 63 B17R3.127913 c1cc(c2ncsc2c1)CNCC3CC3 34a_100000735609_100010883896 [0,0,0,0,0,0|2,0,0]=2 64 B17R3.127913 c1cc(c2ncsc2c1)COCC3CC3 34a_100000211283_100010883896 [0,0,0,0,0,0|3,0,0]=3 65 B17R3.127913 c1cc(c2ncsc2c1)COC[C@@H]3CO3 34a_100000757423_100010883896 [0,0,0,0,0,0|4,0,0]=4 66 B17R3.127913 c1cc(c2ncsc2c1)CSCC3CC3 62a_100000756562_100010883896 [0,0,0,0,0,0|3,0,0]=3 67 B17R3.127913 c1cc(c2ncsc2c1)CSCC3CC3 62a_100010883896_100000742324 [0,0,0,0,0,0|3,0,0]=3 68 B17R3.127913 c1cc(c2ncsc2c1)CSCC3CO3 62a_100010883896_102125554688 [0,0,0,0,0,0|4,0,0]=4 69 B17R3.127913 c1cc(c2ncsc2c1)CSCC3CO3 62a_102125554688_100010883896 [0,0,0,0,0,0|4,0,0]=4 70 B17R3.127913 c1cc(c2ncsc2c1)CSCC3CS3 62a_100000031435_100010883896 [0,0,0,0,0,0|4,0,0]=4 71 B17R3.127913 c1cc(c2ncsc2c1)CSCC3CS3 62a_100010883896_100000031435 [0,0,0,0,0,0|4,0,0]=4 72 B17R3.127913 c1cc(c2ncsc2c1)CSC[C@@H]3CO3 62a_100000745022_100010883896 [0,0,0,0,0,0|4,0,0]=4 73 B17R3.127913 c1cc(c2ncsc2c1)CSC[C@@H]3CO3 62a_100010883896_100000745022 [0,0,0,0,0,0|4,0,0]=4 74 B17R3.127913 c1cc(c2ncsc2c1)OCCC3CC3 34a_100000101385_100000694398 [0,0,0,0,0,0|4,0,0]=4 75 B17R3.127913 c1cc(c2ncsc2c1)OCCC3CC3 7a_100000101385_100000764125 [0,0,0,0,0,0|4,0,0]=4 76 B17R3.127913 c1cc(c2ncsc2c1)SCCC3CC3 62a_100000764125_100000726125 [0,0,0,0,0,0|4,0,0]=4 77 B17R3.127913 c1cc(c2nsnc2c1)CNCC3CC3 2230a_100000735609_100000689365 [0,0,0,0,0,0|3,0,0]=3 78 B17R3.127913 c1cc(c2nsnc2c1)CNCC3CC3 270004a_100000735609_100000042144 [0,0,0,0,0,0|3,0,0]=3 79 B17R3.127913 c1cc(c2nsnc2c1)CNCC3CC3 34a_100000735609_100000689365 [0,0,0,0,0,0|3,0,0]=3 80 B17R3.127913 c1cc(c2nsnc2c1)COCC3CC3 34a_100000211283_100000689365 [0,0,0,0,0,0|4,0,0]=4 81 B17R3.127913 c1cc(c2nsnc2c1)CSCC3CC3 62a_100000689365_100000742324 [0,0,0,0,0,0|4,0,0]=4 82 B17R3.127913 c1cc(c2nsnc2c1)CSCC3CC3 62a_100000756562_100000689365 [0,0,0,0,0,0|4,0,0]=4 83 B17R3.127913 c1cc(c2occc2c1)CNCC3CC3 207a_100000735609_100000050329 [0,0,0,0,0,0|0,1,0]=1 84 B17R3.127913 c1cc(c2occc2c1)CNCC3CC3 270004a_100000735609_100000050329 [0,0,0,0,0,0|0,1,0]=1 85 B17R3.127913 c1cc(c2occc2c1)SCCC3CC3 62a_100000764125_100011935138 [0,0,0,0,0,0|2,1,0]=3 86 B17R3.127913 c1cc(c2occc2c1)SCCC3CO3 62a_100000732470_100011935138 [0,0,0,0,0,0|3,1,0]=4 87 B17R3.127913 c1cc(c2occc2n1)SCCC3CC3 62a_100000764125_100009853057 [0,0,0,0,0,0|3,1,0]=4 88 B17R3.127913 c1cc(c2ocnc2c1)SCCC3CC3 62a_100000764125_100000728214 [0,0,0,0,0,0|3,1,0]=4 89 B17R3.127913 c1cc(c2oncc2c1)SCCC3CC3 62a_100000764125_100000765530 [0,0,0,0,0,0|3,1,0]=4 90 B17R3.127913 c1cc(c2sccc2c1)CNCC3CC3 207a_100000735609_100011934923 [0,0,0,0,0,0|0,0,0]=0 91 B17R3.127913 c1cc(c2sccc2c1)CNCC3CC3 2230a_100000735609_100009816938 [0,0,0,0,0,0|0,0,0]=0 92 B17R3.127913 c1cc(c2sccc2c1)CNCC3CC3 270004a_100000735609_100011934923 [0,0,0,0,0,0|0,0,0]=0 93 B17R3.127913 c1cc(c2sccc2c1)CNCC3CC3 34a_100000735609_100009816938 [0,0,0,0,0,0|0,0,0]=0 94 B17R3.127913 c1cc(c2sccc2c1)COCC3CC3 34a_100000211283_100009816938 [0,0,0,0,0,0|1,0,0]=1 95 B17R3.127913 c1cc(c2sccc2c1)COC[C@@H]3CO3 34a_100000757423_100009816938 [0,0,0,0,0,0|2,0,0]=2 96 B17R3.127913 c1cc(c2sccc2c1)CSCC3CC3 62a_100000756562_100009816938 [0,0,0,0,0,0|1,0,0]=1 97 B17R3.127913 c1cc(c2sccc2c1)CSCC3CO3 62a_102125554688_100009816938 [0,0,0,0,0,0|2,0,0]=2 98 B17R3.127913 c1cc(c2sccc2c1)CSCC3CS3 62a_100000031435_100009816938 [0,0,0,0,0,0|2,0,0]=2 99 B17R3.127913 c1cc(c2sccc2c1)CSC[C@@H]3CO3 62a_100000745022_100009816938 [0,0,0,0,0,0|2,0,0]=2 100 B17R3.127913 c1cc(c2sccc2c1)SCCC3CC3 62a_100000764125_100000766737 [0,0,0,0,0,0|2,0,0]=2 101 B17R3.127913 c1cc(c2sccc2c1)SCCC3CO3 62a_100000732470_100000766737 [0,0,0,0,0,0|3,0,0]=3 102 B17R3.127913 c1cc(c2sccc2n1)NCCC3CC3 27a_100000764129_100000764135 [0,0,0,0,0,0|3,0,0]=3 103 B17R3.127913 c1cc(c2sccc2n1)OCCC3CC3 34a_100000759877_100000694398 [0,0,0,0,0,0|3,0,0]=3 104 B17R3.127913 c1cc(c2sccc2n1)OCCC3CO3 34a_100000759877_100000732470 [0,0,0,0,0,0|4,0,0]=4 105 B17R3.127913 c1cc(c2sccc2n1)SCCC3CC3 62a_100000764125_100000764135 [0,0,0,0,0,0|3,0,0]=3 106 B17R3.127913 c1cc(c2sccc2n1)SCCC3CO3 62a_100000732470_100000764135 [0,0,0,0,0,0|4,0,0]=4 107 B17R3.127913 c1cc(c2scnc2c1)NCCC3CC3 34a_100000099145_100000694398 [0,0,0,0,0,0|3,0,0]=3 108 B17R3.127913 c1cc(c2scnc2c1)NCCC3CO3 34a_100000099145_100000732470 [0,0,0,0,0,0|4,0,0]=4 109 B17R3.127913 c1cc(c2scnc2c1)SCCC3CC3 62a_100000764125_100010246326 [0,0,0,0,0,0|3,0,0]=3 110 B17R3.127913 c1cc(c2scnc2c1)SCCC3CO3 62a_100000732470_100010246326 [0,0,0,0,0,0|4,0,0]=4 111 B17R3.127913 c1cc(n2ccnc2c1)CNCC3CC3 207a_100000735609_100000099972 [0,0,0,0,0,0|3,0,0]=3 112 B17R3.127913 c1cc(n2ccnc2c1)CNCC3CC3 2230a_100000735609_200020640960 [0,0,0,0,0,0|3,0,0]=3 113 B17R3.127913 c1cc(n2ccnc2c1)CNCC3CC3 270004a_100000735609_100000099972 [0,0,0,0,0,0|3,0,0]=3 114 B17R3.127913 c1cc(n2ccnc2c1)CNCC3CC3 34a_100000735609_200020640960 [0,0,0,0,0,0|3,0,0]=3 115 B17R3.127913 c1cc(n2ccnc2c1)COCC3CC3 34a_100000211283_200020640960 [0,0,0,0,0,0|4,0,0]=4 116 B17R3.127913 c1cc(n2ccnc2c1)CSCC3CC3 62a_100000756562_200020640960 [0,0,0,0,0,0|4,0,0]=4 117 B17R3.127913 c1cc(n2ccnc2c1)CSCC3CC3 62a_200020640960_100000742324 [0,0,0,0,0,0|4,0,0]=4 118 B17R3.127913 c1cc(n2nccc2c1)CNCC3CC3 207a_100000735609_100000047034 [0,0,0,0,0,0|2,0,0]=2 119 B17R3.127913 c1cc(n2nccc2c1)CNCC3CC3 270004a_100000735609_100000047034 [0,0,0,0,0,0|2,0,0]=2 120 B17R3.127913 c1cc(n2nccc2c1)SCCC3CC3 62a_100000764125_100009817731 [0,0,0,0,0,0|4,0,0]=4 121 B17R3.127913 c1cc(n2ncnc2c1)CNCC3CC3 270004a_100000735609_200000100101 [0,0,0,0,0,0|3,0,0]=3 122 B17R3.127913 c1cc2c(c(c1)CNCC3CC3)OCC2 207a_100000735609_100011934426 [0,0,0,0,0,0|0,1,2]=3 123 B17R3.127913 c1cc2c(c(c1)CNCC3CC3)OCC2 2230a_200000703977_100000742324 [0,0,0,0,0,0|0,1,2]=3 124 B17R3.127913 c1cc2c(c(c1)CNCC3CC3)OCC2 269862a_200000703977_100000741477 [0,0,0,0,0,0|0,1,2]=3 125 B17R3.127913 c1cc2c(c(c1)CNCC3CC3)OCC2 270004a_100000735609_100011934426 [0,0,0,0,0,0|0,1,2]=3 126 B17R3.127913 c1cc2c(c(c1)CNCC3CC3)OCC2 34a_200000703977_100000742324 [0,0,0,0,0,0|0,1,2]=3 127 B17R3.127913 c1cc2c(c(c1)CNCC3CO3)OCC2 2230a_200000703977_100011216344 [0,0,0,0,0,0|1,1,2]=4 128 B17R3.127913 c1cc2c(c(c1)CNCC3CO3)OCC2 34a_200000703977_102125554688 [0,0,0,0,0,0|1,1,2]=4 129 B17R3.127913 c1cc2c(c(c1)COCC3CC3)OCC2 34a_100011934603_100000742324 [0,0,0,0,0,0|1,1,2]=4 130 B17R3.127913 c1cc2c(c(c1)COCC3CC3)OCC2 7a_100011934603_100000742324 [0,0,0,0,0,0|1,1,2]=4 131 B17R3.127913 c1cc2cc[nH]c2c(n1)SCCC3CC3 62a_100000764125_100000060748 [0,0,0,0,0,0|4,0,0]=4 132 B17R3.127913 c1cc2ccsc2c(n1)NCCC3CC3 27a_100000764129_100000117209 [0,0,0,0,0,0|3,0,0]=3 133 B17R3.127913 c1cc2ccsc2c(n1)SCCC3CC3 62a_100000764125_100000117209 [0,0,0,0,0,0|3,0,0]=3 134 B17R3.127913 c1cc2ccsc2c(n1)SCCC3CO3 62a_100000732470_100000117209 [0,0,0,0,0,0|4,0,0]=4 135 B17R3.127913 c1cc2cncc(c2[nH]1)SCCC3CC3 62a_100000764125_100000217057 [0,0,0,0,0,0|4,0,0]=4 136 B17R3.127913 c1nc(c2sccc2n1)NCCC3CC3 27a_100000764129_100000234879 [0,0,0,0,0,0|4,0,0]=4 137 B17R3.127913 c1nc(c2sccc2n1)SCCC3CC3 62a_100000764125_100000234879 [0,0,0,0,0,0|4,0,0]=4 138 B18R3.4181 Cc1c[nH]c2c1cccc2SCCC3CC3 62a_100000764125_100010186758 [0,1,0,0,0,0|3,0,0]=4 139 B18R3.4181 Cn1ccc2c1cccc2CNCC3CC3 269862a_100011934857_100000741477 [0,1,0,0,0,0|2,0,0]=3 140 B18R3.4181 Cn1ccc2c1cccc2CNCC3CC3 270004a_100000735609_100011934855 [0,1,0,0,0,0|2,0,0]=3 141 B18R3.4181 Cn1ccc2c1cccc2CNCC3CC3 34a_100011934857_100000742324 [0,1,0,0,0,0|2,0,0]=3 142 B18R3.4181 Cn1ccc2c1cccc2CNCC3CO3 34a_100011934857_102125554688 [0,1,0,0,0,0|3,0,0]=4 143 B18R3.4181 Cn1ncc2c1cccc2CNCC3CC3 207a_100000735609_100000070115 [0,1,0,0,0,0|3,0,0]=4 144 B18R3.4181 Cn1ncc2c1cccc2CNCC3CC3 269862a_100015188768_100000741477 [0,1,0,0,0,0|3,0,0]=4 145 B18R3.4181 Cn1ncc2c1cccc2CNCC3CC3 270004a_100000735609_100000070115 [0,1,0,0,0,0|3,0,0]=4 146 B18R3.4181 Cn1ncc2c1cccc2CNCC3CC3 34a_100015188768_100000742324 [0,1,0,0,0,0|3,0,0]=4 147 B18R3.6514 CC1CC1COCc2cccc3c2[nH]nc3 34a_100000744939_100000099550 [0,1,0,0,0,0|3,0,0]=4 148 B18R3.6514 CC1CC1COCc2cccc3c2[nH]nc3 7a_100000744939_100000099550 [0,1,0,0,0,0|3,0,0]=4 149 B18R3.6514 CC1CC1COCc2cccc3c2ncs3 34a_100000744939_100010883896 [0,1,0,0,0,0|3,0,0]=4 150 B18R3.6514 CC1CC1COCc2cccc3c2scc3 34a_100000744939_100009816938 [0,1,0,0,0,0|1,0,0]=2 151 B18R3.6514 CC1CC1COCc2cccc3c2scc3 7a_100000744939_100009816938 [0,1,0,0,0,0|1,0,0]=2 152 B18R3.53833 Brc1ccc2c(c1CNCC3CC3)OCO2 207a_100000735609_100009816621 [0,1,0,0,0,0|1,1,1]=4 153 B18R3.53833 Cc1ccc2cc[nH]c2c1SCCC3CC3 62a_100000764125_100010717004 [0,1,0,0,0,0|3,0,0]=4 154 B18R3.53833 Fc1ccc2c(c1CNCC3CC3)CCO2 2230a_102125554631_100000742324 [0,1,0,0,0,0|2,0,1]=4 155 B18R3.53833 Fc1ccc2c(c1CNCC3CC3)CCO2 269862a_102125554631_100000741477 [0,1,0,0,0,0|2,0,1]=4 156 B18R3.53833 Fc1ccc2c(c1CNCC3CC3)CCO2 34a_102125554631_100000742324 [0,1,0,0,0,0|2,0,1]=4 157 B18R3.53833 Fc1ccc2occc2c1CNCC3CC3 207a_100000735609_100009823865 [0,1,0,0,0,0|2,0,0]=3 158 B18R3.53833 Fc1ccc2occc2c1CNCC3CC3 270004a_100000735609_100009823865 [0,1,0,0,0,0|2,0,0]=3 159 B18R3.53833 Nc1ccc2ncsc2c1SCCC3CC3 62a_100000764125_100010007894 [0,1,0,0,0,0|3,0,0]=4 160 B18R3.53833 Nc1ccc2ncsc2c1SCCC3CC3 62a_100010007894_100000764125 [0,1,0,0,0,0|3,0,0]=4 161 B18R3.92027 Brc1cc(c2cn[nH]c2c1)CNCC3CC3 207a_100000735609_100010870203 [0,1,0,0,0,0|3,0,0]=4 162 B18R3.92027 Brc1cc(c2cn[nH]c2c1)CNCC3CC3 270004a_100000735609_100010870203 [0,1,0,0,0,0|3,0,0]=4 163 B18R3.92027 Brc1cc2c(c(c1)CNCC3CC3)OCC2 207a_100000735609_100000700315 [0,1,0,0,0,0|0,1,2]=4 164 B18R3.92027 Brc1cc2c(c(c1)CNCC3CC3)OCC2 270004a_100000735609_100000700315 [0,1,0,0,0,0|0,1,2]=4 165 B18R3.92027 Cc1cc(c2occc2c1)SCCC3CC3 62a_100000764125_100012361857 [0,1,0,0,0,0|2,1,0]=4 166 B18R3.92027 Fc1cc(c2[nH]ccc2c1)SCCC3CC3 62a_100000764125_100010138379 [0,1,0,0,0,0|3,0,0]=4 167 B18R3.92027 Fc1cc(c2occc2c1)SCCC3CC3 62a_100000764125_100011935139 [0,1,0,0,0,0|2,1,0]=4 168 B18R3.92027 Nc1cc(c2scnc2c1)SCCC3CC3 62a_100000764125_200010333430 [0,1,0,0,0,0|3,0,0]=4 169 B18R3.92027 Nc1cc(c2scnc2c1)SCCC3CC3 62a_200010333430_100000764125 [0,1,0,0,0,0|3,0,0]=4 170 B18R3.92027 Oc1cc(c2occc2c1)SCCC3CC3 62a_100000764125_200010248604 [0,1,0,0,0,0|2,1,0]=4 171 B18R3.106442 CC1=Cc2cccc(c2C1)SCCC3CC3 62a_100010271545_100000764125 [0,1,0,0,0,0|3,0,0]=4 172 B18R3.106442 Cc1cc2c(ccnc2[nH]1)CNCC3CC3 269862a_100010897198_100000741477 [0,1,0,0,0,0|3,0,0]=4 173 B18R3.106442 Cc1cc2cccc(c2o1)NCCC3CC3 34a_200015185323_100000694398 [0,1,0,0,0,0|2,1,0]=4 174 B18R3.106442 Cc1nc2cccc(c2s1)SCCC3CC3 62a_100000764125_100010236699 [0,1,0,0,0,0|3,0,0]=4 175 B18R3.106442 Cc1nc2cccc(c2s1)SCCC3CC3 62a_100010236699_100000764125 [0,1,0,0,0,0|3,0,0]=4 176 B18R3.106442 Cn1cc2c(cccc2n1)CNCC3CC3 207a_100000735609_100010296045 [0,1,0,0,0,0|3,0,0]=4 177 B18R3.106442 Cn1cc2c(cccc2n1)CNCC3CC3 270004a_100000735609_100010296045 [0,1,0,0,0,0|3,0,0]=4 178 B18R3.106442 Nc1cc2cccc(c2s1)SCCC3CC3 62a_100010090802_100000764125 [0,1,0,0,0,0|2,0,0]=3 179 B18R3.106442 Nc1cc2cccc(c2s1)SCCC3CO3 62a_100010090802_100000732470 [0,1,0,0,0,0|3,0,0]=4 180 B18R3.106442 Nc1nc2cccc(c2s1)SCCC3CC3 62a_100010235960_100000764125 [0,1,0,0,0,0|3,0,0]=4 181 B18R3.240199 CN(Cc1cccc2c1CCC2)CC3CC3 26a_100000741881_100000074356 [0,1,0,0,0,0|1,0,2]=4 182 B18R3.240199 CN(Cc1cccc2c1CCO2)CC3CC3 26a_100000741881_100000090053 [0,1,0,0,0,0|2,0,1]=4 183 B18R3.240199 CN(Cc1cccc2c1CCO2)CC3CC3 270004a_100000741881_100000045544 [0,1,0,0,0,0|2,0,1]=4 184 B18R3.240199 CN(Cc1cccc2c1OCC2)CC3CC3 270004a_100000741881_100011934426 [0,1,0,0,0,0|0,1,2]=4 185 B18R3.240199 CN(Cc1cccc2c1OCO2)CC3CC3 269982a_100000741881_100010369185 [0,1,0,0,0,0|1,1,1]=4 186 B18R3.240199 CN(Cc1cccc2c1[nH]cc2)CC3CC3 270004a_100000741881_100000750900 [0,1,0,0,0,0|1,0,0]=2 187 B18R3.240199 CN(Cc1cccc2c1[nH]cn2)CC3CC3 270004a_100000741881_100000100021 [0,1,0,0,0,0|2,0,0]=3 188 B18R3.240199 CN(Cc1cccc2c1[nH]nc2)CC3CC3 2230a_100000741881_100000099550 [0,1,0,0,0,0|2,0,0]=3 189 B18R3.240199 CN(Cc1cccc2c1[nH]nc2)CC3CC3 269982a_100000741881_100000099550 [0,1,0,0,0,0|2,0,0]=3 190 B18R3.240199 CN(Cc1cccc2c1[nH]nc2)CC3CC3 270004a_100000741881_100000068382 [0,1,0,0,0,0|2,0,0]=3 191 B18R3.240199 CN(Cc1cccc2c1cc[nH]2)CC3CC3 2230a_100000719444_100000742324 [0,1,0,0,0,0|2,0,0]=3 192 B18R3.240199 CN(Cc1cccc2c1cc[nH]2)CC3CC3 269982a_100000719444_100000756562 [0,1,0,0,0,0|2,0,0]=3 193 B18R3.240199 CN(Cc1cccc2c1cc[nH]2)CC3CO3 2230a_100000719444_100011216344 [0,1,0,0,0,0|3,0,0]=4 194 B18R3.240199 CN(Cc1cccc2c1cc[nH]2)CC3CO3 269982a_100000719444_102125554688 [0,1,0,0,0,0|3,0,0]=4 195 B18R3.240199 CN(Cc1cccc2c1cc[nH]2)CC3CS3 269982a_100000719444_100000031435 [0,1,0,0,0,0|3,0,0]=4 196 B18R3.240199 CN(Cc1cccc2c1cc[nH]2)C[C@@H]3CO3 269982a_100000719444_100000745022 [0,1,0,0,0,0|3,0,0]=4 197 B18R3.240199 CN(Cc1cccc2c1ccs2)CC3CC3 270004a_100000741881_100009860987 [0,1,0,0,0,0|2,0,0]=3 198 B18R3.240199 CN(Cc1cccc2c1cn[nH]2)CC3CC3 2230a_100000741881_100020636439 [0,1,0,0,0,0|3,0,0]=4 199 B18R3.240199 CN(Cc1cccc2c1cn[nH]2)CC3CC3 269982a_100000741881_100020636439 [0,1,0,0,0,0|3,0,0]=4 200 B18R3.240199 CN(Cc1cccc2c1cn[nH]2)CC3CC3 26a_100000741881_100000050265 [0,1,0,0,0,0|3,0,0]=4 201 B18R3.240199 CN(Cc1cccc2c1cn[nH]2)CC3CC3 270004a_100000741881_100000068380 [0,1,0,0,0,0|3,0,0]=4 202 B18R3.240199 CN(Cc1cccc2c1ncs2)CC3CC3 2230a_100000741881_100010883896 [0,1,0,0,0,0|2,0,0]=3 203 B18R3.240199 CN(Cc1cccc2c1ncs2)CC3CC3 269982a_100000741881_100010883896 [0,1,0,0,0,0|2,0,0]=3 204 B18R3.240199 CN(Cc1cccc2c1nsn2)CC3CC3 2230a_100000741881_100000689365 [0,1,0,0,0,0|3,0,0]=4 205 B18R3.240199 CN(Cc1cccc2c1nsn2)CC3CC3 269982a_100000741881_100000689365 [0,1,0,0,0,0|3,0,0]=4 206 B18R3.240199 CN(Cc1cccc2c1nsn2)CC3CC3 270004a_100000741881_100000042144 [0,1,0,0,0,0|3,0,0]=4 207 B18R3.240199 CN(Cc1cccc2c1occ2)CC3CC3 270004a_100000741881_100000050329 [0,1,0,0,0,0|0,1,0]=2 208 B18R3.240199 CN(Cc1cccc2c1scc2)CC3CC3 2230a_100000741881_100009816938 [0,1,0,0,0,0|0,0,0]=1 209 B18R3.240199 CN(Cc1cccc2c1scc2)CC3CC3 269982a_100000741881_100009816938 [0,1,0,0,0,0|0,0,0]=1 210 B18R3.240199 CN(Cc1cccc2c1scc2)CC3CC3 270004a_100000741881_100011934923 [0,1,0,0,0,0|0,0,0]=1 211 B18R3.240199 CN(Cc1cccc2n1ccn2)CC3CC3 2230a_100000741881_200020640960 [0,1,0,0,0,0|3,0,0]=4 212 B18R3.240199 CN(Cc1cccc2n1ccn2)CC3CC3 269982a_100000741881_200020640960 [0,1,0,0,0,0|3,0,0]=4 213 B18R3.240199 CN(Cc1cccc2n1ccn2)CC3CC3 270004a_100000741881_100000099972 [0,1,0,0,0,0|3,0,0]=4 214 B18R3.240199 CN(Cc1cccc2n1ncc2)CC3CC3 270004a_100000741881_100000047034 [0,1,0,0,0,0|2,0,0]=3 215 B18R3.240199 CN(Cc1cccc2n1ncn2)CC3CC3 270004a_100000741881_200000100101 [0,1,0,0,0,0|3,0,0]=4 216 B18R3.240199 CN(Cc1cccn2c1ncc2)CC3CC3 270004a_100000741881_100000084367 [0,1,0,0,0,0|2,0,0]=3 217 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2[nH]cc3 11a_100000685717_100000738066 [0,1,0,0,0,0|3,0,0]=4 218 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2[nH]cc3 1626a_100000685717_100000738066 [0,1,0,0,0,0|3,0,0]=4 219 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2[nH]cc3 22a_100000685717_100000738066 [0,1,0,0,0,0|3,0,0]=4 220 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2[nH]cc3 527a_100000685717_100000738066 [0,1,0,0,0,0|3,0,0]=4 221 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2scn3 11a_100000099145_100000738066 [0,1,0,0,0,0|3,0,0]=4 222 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2scn3 1626a_100000099145_100000738066 [0,1,0,0,0,0|3,0,0]=4 223 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2scn3 22a_100000099145_100000738066 [0,1,0,0,0,0|3,0,0]=4 224 B18R3.240199 O=C(Cc1cccc2c1[nH]nc2)CC3CC3 1458a_100000738066_100000099550 [0,1,0,0,0,0|3,0,0]=4 225 B18R3.240199 O=C(Cc1cccc2c1cc[nH]2)CC3CC3 1458a_100000094506_100000742324 [0,1,0,0,0,0|3,0,0]=4 226 B18R3.240199 O=C(Cc1cccc2c1cco2)CC3CC3 1458a_100000077588_100000742324 [0,1,0,0,0,0|3,0,0]=4 227 B18R3.240199 O=C(Cc1cccc2c1ncs2)CC3CC3 1458a_100000738066_100010883896 [0,1,0,0,0,0|3,0,0]=4 228 B18R3.240199 O=C(Cc1cccc2c1scc2)CC3CC3 1458a_100000738066_100009816938 [0,1,0,0,0,0|1,0,0]=2 229 B18R3.429012 CC1(CC1)CNCc2cccc3c2CCC3 26a_100000766693_100000074356 [0,1,0,0,0,0|1,0,2]=4 230 B18R3.429012 CC1(CC1)CNCc2cccc3c2CCO3 207a_100000766693_100000045544 [0,1,0,0,0,0|2,0,1]=4 231 B18R3.429012 CC1(CC1)CNCc2cccc3c2CCO3 26a_100000766693_100000090053 [0,1,0,0,0,0|2,0,1]=4 232 B18R3.429012 CC1(CC1)CNCc2cccc3c2CCO3 270004a_100000766693_100000045544 [0,1,0,0,0,0|2,0,1]=4 233 B18R3.429012 CC1(CC1)CNCc2cccc3c2OCC3 207a_100000766693_100011934426 [0,1,0,0,0,0|0,1,2]=4 234 B18R3.429012 CC1(CC1)CNCc2cccc3c2OCC3 270004a_100000766693_100011934426 [0,1,0,0,0,0|0,1,2]=4 235 B18R3.429012 CC1(CC1)CNCc2cccc3c2OCO3 207a_100000766693_100000028116 [0,1,0,0,0,0|1,1,1]=4 236 B18R3.429012 CC1(CC1)CNCc2cccc3c2[nH]cc3 207a_100000766693_100000750900 [0,1,0,0,0,0|1,0,0]=2 237 B18R3.429012 CC1(CC1)CNCc2cccc3c2[nH]cc3 270004a_100000766693_100000750900 [0,1,0,0,0,0|1,0,0]=2 238 B18R3.429012 CC1(CC1)CNCc2cccc3c2[nH]cn3 207a_100000766693_100000100021 [0,1,0,0,0,0|2,0,0]=3 239 B18R3.429012 CC1(CC1)CNCc2cccc3c2[nH]cn3 270004a_100000766693_100000100021 [0,1,0,0,0,0|2,0,0]=3 240 B18R3.429012 CC1(CC1)CNCc2cccc3c2[nH]nc3 207a_100000766693_100000068382 [0,1,0,0,0,0|2,0,0]=3 241 B18R3.429012 CC1(CC1)CNCc2cccc3c2[nH]nc3 2230a_100000766693_100000099550 [0,1,0,0,0,0|2,0,0]=3 242 B18R3.429012 CC1(CC1)CNCc2cccc3c2[nH]nc3 270004a_100000766693_100000068382 [0,1,0,0,0,0|2,0,0]=3 243 B18R3.429012 CC1(CC1)CNCc2cccc3c2cc[nH]3 207a_100000766693_100000750904 [0,1,0,0,0,0|2,0,0]=3 244 B18R3.429012 CC1(CC1)CNCc2cccc3c2ccs3 207a_100000766693_100009860987 [0,1,0,0,0,0|2,0,0]=3 245 B18R3.429012 CC1(CC1)CNCc2cccc3c2ccs3 270004a_100000766693_100009860987 [0,1,0,0,0,0|2,0,0]=3 246 B18R3.429012 CC1(CC1)CNCc2cccc3c2cn[nH]3 207a_100000766693_100000068380 [0,1,0,0,0,0|3,0,0]=4 247 B18R3.429012 CC1(CC1)CNCc2cccc3c2cn[nH]3 2230a_100000766693_100020636439 [0,1,0,0,0,0|3,0,0]=4 248 B18R3.429012 CC1(CC1)CNCc2cccc3c2cn[nH]3 26a_100000766693_100000050265 [0,1,0,0,0,0|3,0,0]=4 249 B18R3.429012 CC1(CC1)CNCc2cccc3c2cn[nH]3 270004a_100000766693_100000068380 [0,1,0,0,0,0|3,0,0]=4 250 B18R3.429012 CC1(CC1)CNCc2cccc3c2ncs3 2230a_100000766693_100010883896 [0,1,0,0,0,0|2,0,0]=3 251 B18R3.429012 CC1(CC1)CNCc2cccc3c2nsn3 2230a_100000766693_100000689365 [0,1,0,0,0,0|3,0,0]=4 252 B18R3.429012 CC1(CC1)CNCc2cccc3c2nsn3 270004a_100000766693_100000042144 [0,1,0,0,0,0|3,0,0]=4 253 B18R3.429012 CC1(CC1)CNCc2cccc3c2occ3 207a_100000766693_100000050329 [0,1,0,0,0,0|0,1,0]=2 254 B18R3.429012 CC1(CC1)CNCc2cccc3c2occ3 270004a_100000766693_100000050329 [0,1,0,0,0,0|0,1,0]=2 255 B18R3.429012 CC1(CC1)CNCc2cccc3c2scc3 207a_100000766693_100011934923 [0,1,0,0,0,0|0,0,0]=1 256 B18R3.429012 CC1(CC1)CNCc2cccc3c2scc3 2230a_100000766693_100009816938 [0,1,0,0,0,0|0,0,0]=1 257 B18R3.429012 CC1(CC1)CNCc2cccc3c2scc3 270004a_100000766693_100011934923 [0,1,0,0,0,0|0,0,0]=1 258 B18R3.429012 CC1(CC1)CNCc2cccc3n2ccn3 207a_100000766693_100000099972 [0,1,0,0,0,0|3,0,0]=4 259 B18R3.429012 CC1(CC1)CNCc2cccc3n2ccn3 2230a_100000766693_200020640960 [0,1,0,0,0,0|3,0,0]=4 260 B18R3.429012 CC1(CC1)CNCc2cccc3n2ccn3 270004a_100000766693_100000099972 [0,1,0,0,0,0|3,0,0]=4 261 B18R3.429012 CC1(CC1)CNCc2cccc3n2ncc3 207a_100000766693_100000047034 [0,1,0,0,0,0|2,0,0]=3 262 B18R3.429012 CC1(CC1)CNCc2cccc3n2ncc3 270004a_100000766693_100000047034 [0,1,0,0,0,0|2,0,0]=3 263 B18R3.429012 CC1(CC1)CNCc2cccc3n2ncn3 270004a_100000766693_200000100101 [0,1,0,0,0,0|3,0,0]=4 264 B18R3.429012 CC1(CC1)CNCc2cccn3c2ncc3 207a_100000766693_100000084367 [0,1,0,0,0,0|2,0,0]=3 265 B18R3.429012 CC1(CC1)CNCc2cccn3c2ncc3 270004a_100000766693_100000084367 [0,1,0,0,0,0|2,0,0]=3 266 B18R3.429012 CC1(CC1)COCc2cccc3c2[nH]nc3 7a_100000698024_100000099550 [0,1,0,0,0,0|3,0,0]=4 267 B18R3.429012 CC1(CC1)COCc2cccc3c2scc3 7a_100000698024_100009816938 [0,1,0,0,0,0|1,0,0]=2 268 B18R3.429012 CC1(CO1)CSCc2cccc3c2scc3 62a_100000760498_100009816938 [0,1,0,0,0,0|2,0,0]=3 269 B18R3.429012 FC1(CC1)COCc2cccc3c2[nH]nc3 34a_200000703853_100000099550 [0,1,0,0,0,0|3,0,0]=4 270 B18R3.429012 FC1(CC1)COCc2cccc3c2[nH]nc3 7a_200000703853_100000099550 [0,1,0,0,0,0|3,0,0]=4 271 B18R3.429012 FC1(CC1)COCc2cccc3c2ncs3 34a_200000703853_100010883896 [0,1,0,0,0,0|3,0,0]=4 272 B18R3.429012 FC1(CC1)COCc2cccc3c2scc3 34a_200000703853_100009816938 [0,1,0,0,0,0|1,0,0]=2 273 B18R3.429012 FC1(CC1)COCc2cccc3c2scc3 7a_200000703853_100009816938 [0,1,0,0,0,0|1,0,0]=2 274 B18R3.429012 OC1(CC1)CNCc2cccc3c2CCO3 207a_100011936951_100000045544 [0,1,0,0,0,0|2,0,1]=4 275 B18R3.429012 OC1(CC1)CNCc2cccc3c2CCO3 270004a_100011936951_100000045544 [0,1,0,0,0,0|2,0,1]=4 276 B18R3.429012 OC1(CC1)CNCc2cccc3c2OCC3 207a_100011936951_100011934426 [0,1,0,0,0,0|0,1,2]=4 277 B18R3.429012 OC1(CC1)CNCc2cccc3c2OCC3 270004a_100011936951_100011934426 [0,1,0,0,0,0|0,1,2]=4 278 B18R3.429012 OC1(CC1)CNCc2cccc3c2OCO3 207a_100011936951_100000028116 [0,1,0,0,0,0|1,1,1]=4 279 B18R3.429012 OC1(CC1)CNCc2cccc3c2[nH]cc3 207a_100011936951_100000750900 [0,1,0,0,0,0|1,0,0]=2 280 B18R3.429012 OC1(CC1)CNCc2cccc3c2[nH]cc3 270004a_100011936951_100000750900 [0,1,0,0,0,0|1,0,0]=2 281 B18R3.429012 OC1(CC1)CNCc2cccc3c2[nH]cn3 207a_100011936951_100000100021 [0,1,0,0,0,0|2,0,0]=3 282 B18R3.429012 OC1(CC1)CNCc2cccc3c2[nH]cn3 270004a_100011936951_100000100021 [0,1,0,0,0,0|2,0,0]=3 283 B18R3.429012 OC1(CC1)CNCc2cccc3c2[nH]nc3 207a_100011936951_100000068382 [0,1,0,0,0,0|2,0,0]=3 284 B18R3.429012 OC1(CC1)CNCc2cccc3c2[nH]nc3 2230a_100011936951_100000099550 [0,1,0,0,0,0|2,0,0]=3 285 B18R3.429012 OC1(CC1)CNCc2cccc3c2[nH]nc3 270004a_100011936951_100000068382 [0,1,0,0,0,0|2,0,0]=3 286 B18R3.429012 OC1(CC1)CNCc2cccc3c2cc[nH]3 207a_100011936951_100000750904 [0,1,0,0,0,0|2,0,0]=3 287 B18R3.429012 OC1(CC1)CNCc2cccc3c2ccs3 207a_100011936951_100009860987 [0,1,0,0,0,0|2,0,0]=3 288 B18R3.429012 OC1(CC1)CNCc2cccc3c2ccs3 270004a_100011936951_100009860987 [0,1,0,0,0,0|2,0,0]=3 289 B18R3.429012 OC1(CC1)CNCc2cccc3c2cn[nH]3 207a_100011936951_100000068380 [0,1,0,0,0,0|3,0,0]=4 290 B18R3.429012 OC1(CC1)CNCc2cccc3c2cn[nH]3 2230a_100011936951_100020636439 [0,1,0,0,0,0|3,0,0]=4 291 B18R3.429012 OC1(CC1)CNCc2cccc3c2cn[nH]3 270004a_100011936951_100000068380 [0,1,0,0,0,0|3,0,0]=4 292 B18R3.429012 OC1(CC1)CNCc2cccc3c2ncs3 2230a_100011936951_100010883896 [0,1,0,0,0,0|2,0,0]=3 293 B18R3.429012 OC1(CC1)CNCc2cccc3c2nsn3 2230a_100011936951_100000689365 [0,1,0,0,0,0|3,0,0]=4 294 B18R3.429012 OC1(CC1)CNCc2cccc3c2nsn3 270004a_100011936951_100000042144 [0,1,0,0,0,0|3,0,0]=4 295 B18R3.429012 OC1(CC1)CNCc2cccc3c2occ3 207a_100011936951_100000050329 [0,1,0,0,0,0|0,1,0]=2 296 B18R3.429012 OC1(CC1)CNCc2cccc3c2occ3 270004a_100011936951_100000050329 [0,1,0,0,0,0|0,1,0]=2 297 B18R3.429012 OC1(CC1)CNCc2cccc3c2scc3 207a_100011936951_100011934923 [0,1,0,0,0,0|0,0,0]=1 298 B18R3.429012 OC1(CC1)CNCc2cccc3c2scc3 2230a_100011936951_100009816938 [0,1,0,0,0,0|0,0,0]=1 299 B18R3.429012 OC1(CC1)CNCc2cccc3c2scc3 270004a_100011936951_100011934923 [0,1,0,0,0,0|0,0,0]=1 300 B18R3.429012 OC1(CC1)CNCc2cccc3n2ccn3 207a_100011936951_100000099972 [0,1,0,0,0,0|3,0,0]=4 301 B18R3.429012 OC1(CC1)CNCc2cccc3n2ccn3 2230a_100011936951_200020640960 [0,1,0,0,0,0|3,0,0]=4 302 B18R3.429012 OC1(CC1)CNCc2cccc3n2ccn3 270004a_100011936951_100000099972 [0,1,0,0,0,0|3,0,0]=4 303 B18R3.429012 OC1(CC1)CNCc2cccc3n2ncc3 207a_100011936951_100000047034 [0,1,0,0,0,0|2,0,0]=3 304 B18R3.429012 OC1(CC1)CNCc2cccc3n2ncc3 270004a_100011936951_100000047034 [0,1,0,0,0,0|2,0,0]=3 305 B18R3.429012 OC1(CC1)CNCc2cccc3n2ncn3 270004a_100011936951_200000100101 [0,1,0,0,0,0|3,0,0]=4 306 B18R3.429012 OC1(CC1)CNCc2cccn3c2ncc3 207a_100011936951_100000084367 [0,1,0,0,0,0|2,0,0]=3 307 B18R3.429012 OC1(CC1)CNCc2cccn3c2ncc3 270004a_100011936951_100000084367 [0,1,0,0,0,0|2,0,0]=3 308 B18R3.899786 Brc1ccc(c2c1cco2)OCCC3CC3 34a_200020711608_100000694398 [0,1,0,0,0,0|2,1,0]=4 309 B18R3.899786 Brc1ccc(c2c1cco2)OCCC3CC3 7a_200020711608_100000764125 [0,1,0,0,0,0|2,1,0]=4 310 B18R3.899786 Brc1ccc(c2c1nsn2)CNCC3CC3 270004a_100000735609_100010761824 [0,1,0,0,0,0|3,0,0]=4 311 B18R3.899786 Cc1ccc(c2c1cc[nH]2)SCCC3CC3 62a_100000764125_100010219157 [0,1,0,0,0,0|3,0,0]=4 312 B18R3.899786 Cc1ccc(c2c1cco2)SCCC3CC3 62a_100000764125_100010253976 [0,1,0,0,0,0|2,1,0]=4 313 B18R3.899786 Fc1ccc(c2c1cc[nH]2)SCCC3CC3 62a_100000764125_100010138378 [0,1,0,0,0,0|3,0,0]=4 314 B18R3.899786 Fc1ccc(c2c1cco2)SCCC3CC3 62a_100000764125_100012355473 [0,1,0,0,0,0|2,1,0]=4 315 B18R3.1018401 CC(NCC1CC1)c2cccc3c2cn[nH]3 2230a_200009852537_100000742324 [0,1,0,0,0,0|3,0,0]=4 316 B18R3.1018401 CC(NCC1CC1)c2cccc3c2cn[nH]3 269862a_200009852537_100000741477 [0,1,0,0,0,0|3,0,0]=4 317 B18R3.1018401 O=C(CCC1CC1)c2cccc3c2[nH]cc3 1458a_100000027293_100000694398 [0,1,0,0,0,0|2,0,1]=4 318 B18R3.1018401 O=C(CCC1CC1)c2cccc3c2occ3 1458a_100000098497_100000694398 [0,1,0,0,0,0|1,1,1]=4 319 B18R3.1018401 O=C(CCC1CC1)c2cccc3c2scc3 1458a_100000766736_100000694398 [0,1,0,0,0,0|1,0,1]=3 320 B18R3.1018401 O=C(CCC1CC1)c2cccc3c2scn3 1458a_100009859901_100000694398 [0,1,0,0,0,0|2,0,1]=4 321 B18R3.1018401 O=C(CCC1CO1)c2cccc3c2scc3 1458a_100000766736_100000732470 [0,1,0,0,0,0|2,0,1]=4 322 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2[nH]cc3 11a_100000735609_100000027293 [0,1,0,0,0,0|1,0,1]=3 323 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2[nH]cc3 240690a_100000735609_100000027293 [0,1,0,0,0,0|1,0,1]=3 324 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2[nH]cc3 527a_100000735609_100000027293 [0,1,0,0,0,0|1,0,1]=3 325 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2[nH]nc3 11a_100000735609_100000030479 [0,1,0,0,0,0|2,0,1]=4 326 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2[nH]nc3 1626a_100000735609_100000030479 [0,1,0,0,0,0|2,0,1]=4 327 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2[nH]nc3 240690a_100000735609_100000030479 [0,1,0,0,0,0|2,0,1]=4 328 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2[nH]nc3 527a_100000735609_100000030479 [0,1,0,0,0,0|2,0,1]=4 329 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cc[nH]3 11a_100000735609_100000740066 [0,1,0,0,0,0|2,0,1]=4 330 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cc[nH]3 1626a_100000735609_100000740066 [0,1,0,0,0,0|2,0,1]=4 331 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cc[nH]3 240690a_100000735609_100000740066 [0,1,0,0,0,0|2,0,1]=4 332 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cc[nH]3 527a_100000735609_100000740066 [0,1,0,0,0,0|2,0,1]=4 333 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cco3 11a_100000735609_100000045549 [0,1,0,0,0,0|2,0,1]=4 334 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cco3 1626a_100000735609_100000045549 [0,1,0,0,0,0|2,0,1]=4 335 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cco3 240690a_100000735609_100000045549 [0,1,0,0,0,0|2,0,1]=4 336 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2cco3 527a_100000735609_100000045549 [0,1,0,0,0,0|2,0,1]=4 337 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ccs3 11a_100000735609_100000046219 [0,1,0,0,0,0|2,0,1]=4 338 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ccs3 1626a_100000735609_100000046219 [0,1,0,0,0,0|2,0,1]=4 339 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ccs3 240690a_100000735609_100000046219 [0,1,0,0,0,0|2,0,1]=4 340 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ccs3 527a_100000735609_100000046219 [0,1,0,0,0,0|2,0,1]=4 341 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2nc[nH]3 240690a_100000735609_100000691283 [0,1,0,0,0,0|2,0,1]=4 342 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2nc[nH]3 527a_100000735609_100000691283 [0,1,0,0,0,0|2,0,1]=4 343 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2nco3 11a_100000735609_100012186847 [0,1,0,0,0,0|2,0,1]=4 344 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2nco3 1626a_100000735609_100012186847 [0,1,0,0,0,0|2,0,1]=4 345 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2nco3 527a_100000735609_100012186847 [0,1,0,0,0,0|2,0,1]=4 346 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2occ3 11a_100000735609_100000098497 [0,1,0,0,0,0|0,1,1]=3 347 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2occ3 1626a_100000735609_100000098497 [0,1,0,0,0,0|0,1,1]=3 348 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2occ3 240690a_100000735609_100000098497 [0,1,0,0,0,0|0,1,1]=3 349 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2occ3 527a_100000735609_100000098497 [0,1,0,0,0,0|0,1,1]=3 350 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ocn3 11a_100000735609_100012186845 [0,1,0,0,0,0|1,1,1]=4 351 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ocn3 1626a_100000735609_100012186845 [0,1,0,0,0,0|1,1,1]=4 352 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2ocn3 527a_100000735609_100012186845 [0,1,0,0,0,0|1,1,1]=4 353 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scc3 11a_100000735609_100000766736 [0,1,0,0,0,0|0,0,1]=2 354 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scc3 1626a_100000735609_100000766736 [0,1,0,0,0,0|0,0,1]=2 355 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scc3 240690a_100000735609_100000766736 [0,1,0,0,0,0|0,0,1]=2 356 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scc3 527a_100000735609_100000766736 [0,1,0,0,0,0|0,0,1]=2 357 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scn3 11a_100000735609_100009859901 [0,1,0,0,0,0|1,0,1]=3 358 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scn3 1626a_100000735609_100009859901 [0,1,0,0,0,0|1,0,1]=3 359 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scn3 240690a_100000735609_100009859901 [0,1,0,0,0,0|1,0,1]=3 360 B18R3.1018401 O=C(NCC1CC1)c2cccc3c2scn3 527a_100000735609_100009859901 [0,1,0,0,0,0|1,0,1]=3 361 B18R3.1018401 O=C(NNC1CC1)c2cccc3c2[nH]cc3 22a_100000701032_100000027293 [0,1,0,0,0,0|2,0,1]=4 362 B18R3.1018401 O=C(NNC1CC1)c2cccc3c2occ3 22a_100000701032_100000098497 [0,1,0,0,0,0|1,1,1]=4 363 B18R3.1018401 O=C(NNC1CC1)c2cccc3c2scc3 22a_100000701032_100000766736 [0,1,0,0,0,0|1,0,1]=3 364 B18R3.1018401 O=C(NNC1CC1)c2cccc3c2scn3 22a_100000701032_100009859901 [0,1,0,0,0,0|2,0,1]=4 365 B18R3.1018550 CC(NCc1cccc2c1CCO2)C3CC3 207a_100000700016_100000045544 [0,1,0,0,0,0|2,0,1]=4 366 B18R3.1018550 CC(NCc1cccc2c1CCO2)C3CC3 270004a_100000700016_100000045544 [0,1,0,0,0,0|2,0,1]=4 367 B18R3.1018550 CC(NCc1cccc2c1OCC2)C3CC3 207a_100000700016_100011934426 [0,1,0,0,0,0|0,1,2]=4 368 B18R3.1018550 CC(NCc1cccc2c1OCC2)C3CC3 269862a_200000703977_100000210639 [0,1,0,0,0,0|0,1,2]=4 369 B18R3.1018550 CC(NCc1cccc2c1OCC2)C3CC3 270004a_100000700016_100011934426 [0,1,0,0,0,0|0,1,2]=4 370 B18R3.1018550 CC(NCc1cccc2c1OCO2)C3CC3 207a_100000700016_100000028116 [0,1,0,0,0,0|1,1,1]=4 371 B18R3.1018550 CC(NCc1cccc2c1OCO2)C3CC3 269862a_100000743722_100000210639 [0,1,0,0,0,0|1,1,1]=4 372 B18R3.1018550 CC(NCc1cccc2c1[nH]cc2)C3CC3 207a_100000700016_100000750900 [0,1,0,0,0,0|1,0,0]=2 373 B18R3.1018550 CC(NCc1cccc2c1[nH]cc2)C3CC3 270004a_100000700016_100000750900 [0,1,0,0,0,0|1,0,0]=2 374 B18R3.1018550 CC(NCc1cccc2c1[nH]cn2)C3CC3 207a_100000700016_100000100021 [0,1,0,0,0,0|2,0,0]=3 375 B18R3.1018550 CC(NCc1cccc2c1[nH]cn2)C3CC3 270004a_100000700016_100000100021 [0,1,0,0,0,0|2,0,0]=3 376 B18R3.1018550 CC(NCc1cccc2c1[nH]nc2)C3CC3 207a_100000700016_100000068382 [0,1,0,0,0,0|2,0,0]=3 377 B18R3.1018550 CC(NCc1cccc2c1[nH]nc2)C3CC3 2230a_100000700016_100000099550 [0,1,0,0,0,0|2,0,0]=3 378 B18R3.1018550 CC(NCc1cccc2c1[nH]nc2)C3CC3 269862a_100000099547_100000210639 [0,1,0,0,0,0|2,0,0]=3 379 B18R3.1018550 CC(NCc1cccc2c1[nH]nc2)C3CC3 270004a_100000700016_100000068382 [0,1,0,0,0,0|2,0,0]=3 380 B18R3.1018550 CC(NCc1cccc2c1[nH]nc2)C3CC3 34a_100000700016_100000099550 [0,1,0,0,0,0|2,0,0]=3 381 B18R3.1018550 CC(NCc1cccc2c1[nH]nc2)C3CO3 270004a_100000099547_100000031964 [0,1,0,0,0,0|3,0,0]=4 382 B18R3.1018550 CC(NCc1cccc2c1cc[nH]2)C3CC3 207a_100000700016_100000750904 [0,1,0,0,0,0|2,0,0]=3 383 B18R3.1018550 CC(NCc1cccc2c1cc[nH]2)C3CC3 269862a_100011912549_100000210639 [0,1,0,0,0,0|2,0,0]=3 384 B18R3.1018550 CC(NCc1cccc2c1cc[nH]2)C3CO3 270004a_100011912549_100000031964 [0,1,0,0,0,0|3,0,0]=4 385 B18R3.1018550 CC(NCc1cccc2c1ccs2)C3CC3 207a_100000700016_100009860987 [0,1,0,0,0,0|2,0,0]=3 386 B18R3.1018550 CC(NCc1cccc2c1ccs2)C3CC3 270004a_100000700016_100009860987 [0,1,0,0,0,0|2,0,0]=3 387 B18R3.1018550 CC(NCc1cccc2c1cn[nH]2)C3CC3 207a_100000700016_100000068380 [0,1,0,0,0,0|3,0,0]=4 388 B18R3.1018550 CC(NCc1cccc2c1cn[nH]2)C3CC3 2230a_100000700016_100020636439 [0,1,0,0,0,0|3,0,0]=4 389 B18R3.1018550 CC(NCc1cccc2c1cn[nH]2)C3CC3 269862a_100000099548_100000210639 [0,1,0,0,0,0|3,0,0]=4 390 B18R3.1018550 CC(NCc1cccc2c1cn[nH]2)C3CC3 270004a_100000700016_100000068380 [0,1,0,0,0,0|3,0,0]=4 391 B18R3.1018550 CC(NCc1cccc2c1cn[nH]2)C3CC3 34a_100000700016_100020636439 [0,1,0,0,0,0|3,0,0]=4 392 B18R3.1018550 CC(NCc1cccc2c1ncs2)C3CC3 2230a_100000700016_100010883896 [0,1,0,0,0,0|2,0,0]=3 393 B18R3.1018550 CC(NCc1cccc2c1ncs2)C3CC3 34a_100000700016_100010883896 [0,1,0,0,0,0|2,0,0]=3 394 B18R3.1018550 CC(NCc1cccc2c1nsn2)C3CC3 2230a_100000700016_100000689365 [0,1,0,0,0,0|3,0,0]=4 395 B18R3.1018550 CC(NCc1cccc2c1nsn2)C3CC3 270004a_100000700016_100000042144 [0,1,0,0,0,0|3,0,0]=4 396 B18R3.1018550 CC(NCc1cccc2c1nsn2)C3CC3 34a_100000700016_100000689365 [0,1,0,0,0,0|3,0,0]=4 397 B18R3.1018550 CC(NCc1cccc2c1occ2)C3CC3 207a_100000700016_100000050329 [0,1,0,0,0,0|0,1,0]=2 398 B18R3.1018550 CC(NCc1cccc2c1occ2)C3CC3 270004a_100000700016_100000050329 [0,1,0,0,0,0|0,1,0]=2 399 B18R3.1018550 CC(NCc1cccc2c1scc2)C3CC3 207a_100000700016_100011934923 [0,1,0,0,0,0|0,0,0]=1 400 B18R3.1018550 CC(NCc1cccc2c1scc2)C3CC3 2230a_100000700016_100009816938 [0,1,0,0,0,0|0,0,0]=1 401 B18R3.1018550 CC(NCc1cccc2c1scc2)C3CC3 270004a_100000700016_100011934923 [0,1,0,0,0,0|0,0,0]=1 402 B18R3.1018550 CC(NCc1cccc2c1scc2)C3CC3 34a_100000700016_100009816938 [0,1,0,0,0,0|0,0,0]=1 403 B18R3.1018550 CC(NCc1cccc2n1ccn2)C3CC3 207a_100000700016_100000099972 [0,1,0,0,0,0|3,0,0]=4 404 B18R3.1018550 CC(NCc1cccc2n1ccn2)C3CC3 2230a_100000700016_200020640960 [0,1,0,0,0,0|3,0,0]=4 405 B18R3.1018550 CC(NCc1cccc2n1ccn2)C3CC3 270004a_100000700016_100000099972 [0,1,0,0,0,0|3,0,0]=4 406 B18R3.1018550 CC(NCc1cccc2n1ccn2)C3CC3 34a_100000700016_200020640960 [0,1,0,0,0,0|3,0,0]=4 407 B18R3.1018550 CC(NCc1cccc2n1ncc2)C3CC3 207a_100000700016_100000047034 [0,1,0,0,0,0|2,0,0]=3 408 B18R3.1018550 CC(NCc1cccc2n1ncc2)C3CC3 270004a_100000700016_100000047034 [0,1,0,0,0,0|2,0,0]=3 409 B18R3.1018550 CC(NCc1cccc2n1ncn2)C3CC3 270004a_100000700016_200000100101 [0,1,0,0,0,0|3,0,0]=4 410 B18R3.1018550 CC(NCc1cccn2c1ncc2)C3CC3 207a_100000700016_100000084367 [0,1,0,0,0,0|2,0,0]=3 411 B18R3.1018550 CC(NCc1cccn2c1ncc2)C3CC3 270004a_100000700016_100000084367 [0,1,0,0,0,0|2,0,0]=3 412 B18R3.1018550 CC(OCc1cccc2c1[nH]nc2)C3CC3 34a_100000744524_100000099550 [0,1,0,0,0,0|3,0,0]=4 413 B18R3.1018550 CC(OCc1cccc2c1[nH]nc2)C3CC3 7a_100000744524_100000099550 [0,1,0,0,0,0|3,0,0]=4 414 B18R3.1018550 CC(OCc1cccc2c1ncs2)C3CC3 34a_100000744524_100010883896 [0,1,0,0,0,0|3,0,0]=4 415 B18R3.1018550 CC(OCc1cccc2c1scc2)C3CC3 34a_100000744524_100009816938 [0,1,0,0,0,0|1,0,0]=2 416 B18R3.1018550 CC(OCc1cccc2c1scc2)C3CC3 7a_100000744524_100009816938 [0,1,0,0,0,0|1,0,0]=2 417 B18R3.1018550 O=C(CSc1cccc2c1scc2)C3CC3 62a_100000746382_100000766737 [0,1,0,0,0,0|2,0,1]=4 418 B18R3.1018550 O=C(NCc1cccc2c1[nH]nc2)C3CC3 240690a_100000099547_100000210395 [0,1,0,0,0,0|2,0,1]=4 419 B18R3.1018550 O=C(NCc1cccc2c1[nH]nc2)C3CC3 527a_100000099547_100000210395 [0,1,0,0,0,0|2,0,1]=4 420 B18R3.1018550 O=C(NCc1cccc2c1cc[nH]2)C3CC3 11a_100011912549_100000210395 [0,1,0,0,0,0|2,0,1]=4 421 B18R3.1018550 O=C(NCc1cccc2c1cc[nH]2)C3CC3 240690a_100011912549_100000210395 [0,1,0,0,0,0|2,0,1]=4 422 B18R3.1018550 O=C(NCc1cccc2c1cc[nH]2)C3CC3 527a_100011912549_100000210395 [0,1,0,0,0,0|2,0,1]=4 423 B18R3.1018550 OC(CNc1ccnc2c1scc2)C3CC3 27a_100000751198_100000764135 [0,1,0,0,0,0|3,0,0]=4 424 B18R3.1018550 OC(CNc1nccc2c1scc2)C3CC3 27a_100000751198_100000117209 [0,1,0,0,0,0|3,0,0]=4 425 B18R3.4050303 Cn1ccc2c1c(ccc2)CNCC3CC3 207a_100000735609_100012002307 [0,1,0,0,0,0|1,0,0]=2 426 B18R3.4050303 Cn1ccc2c1c(ccc2)CNCC3CC3 269862a_100011935268_100000741477 [0,1,0,0,0,0|1,0,0]=2 427 B18R3.4050303 Cn1ccc2c1c(ccc2)CNCC3CC3 270004a_100000735609_100012002307 [0,1,0,0,0,0|1,0,0]=2 428 B18R3.4050303 Cn1ccc2c1c(ccc2)CNCC3CC3 34a_100011935268_100000742324 [0,1,0,0,0,0|1,0,0]=2 429 B18R3.4050303 Cn1ccc2c1c(ccc2)CNCC3CO3 34a_100011935268_102125554688 [0,1,0,0,0,0|2,0,0]=3 430 B18R3.4050303 Cn1ccc2c1c(ccc2)SCCC3CC3 62a_100000764125_100009817156 [0,1,0,0,0,0|3,0,0]=4 431 B18R3.4050303 Cn1ncc2c1c(ccc2)CNCC3CC3 207a_100000735609_100000102508 [0,1,0,0,0,0|2,0,0]=3 432 B18R3.4050303 Cn1ncc2c1c(ccc2)CNCC3CC3 269862a_102516457515_100000741477 [0,1,0,0,0,0|2,0,0]=3 433 B18R3.4050303 Cn1ncc2c1c(ccc2)CNCC3CC3 270004a_100000735609_100000102508 [0,1,0,0,0,0|2,0,0]=3 434 B18R3.4050303 Cn1ncc2c1c(ccc2)CNCC3CC3 34a_102516457515_100000742324 [0,1,0,0,0,0|2,0,0]=3 435 B18R3.4050303 Cn1ncc2c1c(ccc2)CNCC3CO3 34a_102516457515_102125554688 [0,1,0,0,0,0|3,0,0]=4 436 B18R3.4050303 Cn1ncc2c1c(ccc2)COCC3CC3 34a_200000101603_100000742324 [0,1,0,0,0,0|3,0,0]=4 437 B16R2.2697 COc1c(cccc1CNCC2CC2)Br 207a_100000735609_100000692592 [0,0,1,0,0,0|1,1,1]=4 438 B16R2.2697 COc1c(cccc1CNCC2CC2)Br 2230a_100000735609_100011470457 [0,0,1,0,0,0|1,1,1]=4 439 B16R2.2697 COc1c(cccc1CNCC2CC2)Br 270004a_100000735609_100000692592 [0,0,1,0,0,0|1,1,1]=4 440 B16R2.2697 COc1c(cccc1CNCC2CC2)Br 34a_100000735609_100011470457 [0,0,1,0,0,0|1,1,1]=4 441 B16R2.2697 COc1c(cccc1CNCC2CC2)C 207a_100000735609_100011361485 [0,0,1,0,0,0|0,1,2]=4 442 B16R2.2697 COc1c(cccc1CNCC2CC2)C 2230a_100000735609_100012349798 [0,0,1,0,0,0|0,1,2]=4 443 B16R2.2697 COc1c(cccc1CNCC2CC2)C 270004a_100000735609_100011361485 [0,0,1,0,0,0|0,1,2]=4 444 B16R2.2697 COc1c(cccc1CNCC2CC2)C 34a_100000735609_100012349798 [0,0,1,0,0,0|0,1,2]=4 445 B16R2.2697 COc1c(cccc1CNCC2CC2)Cl 207a_100000735609_100011466644 [0,0,1,0,0,0|1,1,1]=4 446 B16R2.2697 COc1c(cccc1CNCC2CC2)Cl 270004a_100000735609_100011466644 [0,0,1,0,0,0|1,1,1]=4 447 B16R2.2697 COc1c(cccc1CNCC2CC2)F 207a_100000735609_100011830294 [0,0,1,0,0,0|1,1,1]=4 448 B16R2.2697 COc1c(cccc1CNCC2CC2)F 269862a_100137345168_100000741477 [0,0,1,0,0,0|1,1,1]=4 449 B16R2.2697 COc1c(cccc1CNCC2CC2)F 270004a_100000735609_100011830294 [0,0,1,0,0,0|1,1,1]=4 450 B16R2.2697 COc1c(cccc1CNCC2CC2)F 34a_100137345168_100000742324 [0,0,1,0,0,0|1,1,1]=4 451 B16R2.2697 N#Cc1c(cccc1CNCC2CC2)Br 2230a_100000735609_200010145453 [0,0,1,0,0,0|3,0,0]=4 452 B16R2.2697 N#Cc1c(cccc1CNCC2CC2)Br 34a_100000735609_200010145453 [0,0,1,0,0,0|3,0,0]=4 453 B16R2.2697 N#Cc1c(cccc1CNCC2CC2)F 2230a_100000735609_100000707650 [0,0,1,0,0,0|3,0,0]=4 454 B16R2.2697 N#Cc1c(cccc1CNCC2CC2)F 34a_100000735609_100000707650 [0,0,1,0,0,0|3,0,0]=4 455 B16R2.7450 C=Cc1cccc(c1F)SCCC2CC2 62a_100000764125_100010741937 [0,0,1,0,0,0|3,0,0]=4 456 B16R2.7450 C=Cc1cccc(c1F)SCCC2CC2 62a_100010741937_100000764125 [0,0,1,0,0,0|3,0,0]=4 457 B16R2.7450 COc1cccc(c1Br)CNCC2CC2 207a_100000735609_100010209554 [0,0,1,0,0,0|2,0,1]=4 458 B16R2.7450 COc1cccc(c1Br)CNCC2CC2 270004a_100000735609_100010209554 [0,0,1,0,0,0|2,0,1]=4 459 B16R2.7450 COc1cccc(c1C)CNCC2CC2 207a_100000735609_100000101217 [0,0,1,0,0,0|2,0,1]=4 460 B16R2.7450 COc1cccc(c1C)CNCC2CC2 2230a_100000735609_100009876938 [0,0,1,0,0,0|2,0,1]=4 461 B16R2.7450 COc1cccc(c1C)CNCC2CC2 270004a_100000735609_100000101217 [0,0,1,0,0,0|2,0,1]=4 462 B16R2.7450 COc1cccc(c1C)CNCC2CC2 34a_100000735609_100009876938 [0,0,1,0,0,0|2,0,1]=4 463 B16R2.7450 COc1cccc(c1Cl)CNCC2CC2 207a_100000735609_100000068750 [0,0,1,0,0,0|2,0,1]=4 464 B16R2.7450 COc1cccc(c1Cl)CNCC2CC2 2230a_100000735609_200010147866 [0,0,1,0,0,0|2,0,1]=4 465 B16R2.7450 COc1cccc(c1Cl)CNCC2CC2 270004a_100000735609_100000068750 [0,0,1,0,0,0|2,0,1]=4 466 B16R2.7450 COc1cccc(c1Cl)CNCC2CC2 34a_100000735609_200010147866 [0,0,1,0,0,0|2,0,1]=4 467 B16R2.7450 COc1cccc(c1F)CNCC2CC2 207a_100000735609_100000692048 [0,0,1,0,0,0|2,0,1]=4 468 B16R2.7450 COc1cccc(c1F)CNCC2CC2 2230a_100000735609_100011260763 [0,0,1,0,0,0|2,0,1]=4 469 B16R2.7450 COc1cccc(c1F)CNCC2CC2 269862a_100137345169_100000741477 [0,0,1,0,0,0|2,0,1]=4 470 B16R2.7450 COc1cccc(c1F)CNCC2CC2 270004a_100000735609_100000692048 [0,0,1,0,0,0|2,0,1]=4 471 B16R2.7450 COc1cccc(c1F)CNCC2CC2 34a_100000735609_100011260763 [0,0,1,0,0,0|2,0,1]=4 472 B16R2.7450 COc1cccc(c1F)CNCC2CC2 34a_100137345169_100000742324 [0,0,1,0,0,0|2,0,1]=4 473 B16R2.7450 Cc1c(cccc1CNCC2CC2)C#N 207a_100000735609_200009888290 [0,0,1,0,0,0|2,0,1]=4 474 B16R2.7450 Cc1c(cccc1CNCC2CC2)C#N 270004a_100000735609_200009888290 [0,0,1,0,0,0|2,0,1]=4 475 B16R2.7450 N#Cc1cccc(c1Br)CNCC2CC2 2230a_100000735609_100010145452 [0,0,1,0,0,0|2,0,1]=4 476 B16R2.7450 N#Cc1cccc(c1Br)CNCC2CC2 34a_100000735609_100010145452 [0,0,1,0,0,0|2,0,1]=4 477 B16R2.7450 N#Cc1cccc(c1Cl)CNCC2CC2 2230a_100000735609_100010147161 [0,0,1,0,0,0|2,0,1]=4 478 B16R2.7450 N#Cc1cccc(c1F)CNCC2CC2 2230a_100000735609_100000695645 [0,0,1,0,0,0|2,0,1]=4 479 B16R2.7450 N#Cc1cccc(c1F)CNCC2CC2 34a_100000735609_100000695645 [0,0,1,0,0,0|2,0,1]=4 480 B16R2.11632 BrCCCOCc1cccc2c1scc2 34a_100011217188_100009816938 [0,0,1,0,0,0|2,0,0]=3 481 B16R2.11632 C#CCCNCc1cccc2c1scc2 34a_100000755551_100009816938 [0,0,1,0,0,0|0,0,2]=3 482 B16R2.11632 C#CCCOCc1cccc2c1scc2 34a_100011215631_100009816938 [0,0,1,0,0,0|1,0,2]=4 483 B16R2.11632 C#CCCSCc1cccc2c1scc2 62a_100000688953_100009816938 [0,0,1,0,0,0|1,0,2]=4 484 B16R2.11632 C/C=C/COCc1cccc2c1scc2 34a_100016270725_100009816938 [0,0,1,0,0,0|1,0,2]=4 485 B16R2.11632 C/C=C/CSCc1cccc2c1scc2 62a_100102629194_100009816938 [0,0,1,0,0,0|1,0,2]=4 486 B16R2.11632 C=CCCNCc1cccc2c1[nH]cc2 207a_100015191253_100000750900 [0,0,1,0,0,0|1,0,2]=4 487 B16R2.11632 C=CCCNCc1cccc2c1[nH]cc2 270004a_100015191253_100000750900 [0,0,1,0,0,0|1,0,2]=4 488 B16R2.11632 C=CCCNCc1cccc2c1occ2 207a_100015191253_100000050329 [0,0,1,0,0,0|0,1,2]=4 489 B16R2.11632 C=CCCNCc1cccc2c1occ2 270004a_100015191253_100000050329 [0,0,1,0,0,0|0,1,2]=4 490 B16R2.11632 C=CCCNCc1cccc2c1scc2 207a_100015191253_100011934923 [0,0,1,0,0,0|0,0,2]=3 491 B16R2.11632 C=CCCNCc1cccc2c1scc2 2230a_100015191253_100009816938 [0,0,1,0,0,0|0,0,2]=3 492 B16R2.11632 C=CCCNCc1cccc2c1scc2 270004a_100015191253_100011934923 [0,0,1,0,0,0|0,0,2]=3 493 B16R2.11632 C=CCCOCc1cccc2c1scc2 34a_100011205117_100009816938 [0,0,1,0,0,0|1,0,2]=4 494 B16R2.11632 C=CCCSCc1cccc2c1scc2 62a_100000754431_100009816938 [0,0,1,0,0,0|1,0,2]=4 495 B16R2.11632 CC#CCNCc1cccc2c1scc2 2230a_100000685387_100009816938 [0,0,1,0,0,0|0,0,2]=3 496 B16R2.11632 CC#CCNCc1cccc2c1scc2 34a_100000685387_100009816938 [0,0,1,0,0,0|0,0,2]=3 497 B16R2.11632 CC#CCOCc1cccc2c1scc2 34a_100000761923_100009816938 [0,0,1,0,0,0|1,0,2]=4 498 B16R2.11632 CC#CCSCc1cccc2c1scc2 62a_100000748600_100009816938 [0,0,1,0,0,0|1,0,2]=4 499 B16R2.11632 CC=CCSCc1cccc2c1scc2 62a_100000070051_100009816938 [0,0,1,0,0,0|1,0,2]=4 500 B16R2.11632 CCCCC=Cc1cccc2c1CC=C2 271570a_100016275911_100009844718 [0,0,1,0,0,0|2,0,1]=4 501 B16R2.11632 CCCCC=Cc1cccc2c1[nH]cc2 271570a_100016275911_100009813418 [0,0,1,0,0,0|2,0,1]=4 502 B16R2.11632 CCCCC=Cc1cccc2c1occ2 271570a_100016275911_100011935138 [0,0,1,0,0,0|1,1,1]=4 503 B16R2.11632 CCCCC=Cc1cccc2c1scc2 271570a_100016275911_100000766737 [0,0,1,0,0,0|1,0,1]=3 504 B16R2.11632 CCCCC=Cc1cccc2c1scn2 271570a_100016275911_100010246326 [0,0,1,0,0,0|2,0,1]=4 505 B16R2.11632 CCCCC=Cc1ccnc2c1scc2 271570a_100016275911_100000723842 [0,0,1,0,0,0|2,0,1]=4 506 B16R2.11632 CCCCC=Cc1nccc2c1scc2 271570a_100016275911_100000117209 [0,0,1,0,0,0|2,0,1]=4 507 B16R2.11632 CCCCCNc1cccc2c1scn2 34a_100000099145_100000718602 [0,0,1,0,0,0|3,0,0]=4 508 B16R2.11632 CCCCCNc1ccnc2c1scc2 27a_100000209983_100000764135 [0,0,1,0,0,0|3,0,0]=4 509 B16R2.11632 CCCCCNc1nccc2c1scc2 27a_100000209983_100000117209 [0,0,1,0,0,0|3,0,0]=4 510 B16R2.11632 CCCCCOc1ccnc2c1scc2 34a_100000759877_100000718602 [0,0,1,0,0,0|3,0,0]=4 511 B16R2.11632 CCCCCSc1cccc2c1CC=C2 62a_100000210326_100009844718 [0,0,1,0,0,0|3,0,0]=4 512 B16R2.11632 CCCCCSc1cccc2c1CC=C2 62a_100009844718_100000210326 [0,0,1,0,0,0|3,0,0]=4 513 B16R2.11632 CCCCCSc1cccc2c1[nH]cc2 62a_100000210326_100009813418 [0,0,1,0,0,0|3,0,0]=4 514 B16R2.11632 CCCCCSc1cccc2c1occ2 62a_100000210326_100011935138 [0,0,1,0,0,0|2,1,0]=4 515 B16R2.11632 CCCCCSc1cccc2c1scc2 62a_100000210326_100000766737 [0,0,1,0,0,0|2,0,0]=3 516 B16R2.11632 CCCCCSc1cccc2c1scn2 62a_100000210326_100010246326 [0,0,1,0,0,0|3,0,0]=4 517 B16R2.11632 CCCCCSc1ccnc2c1scc2 62a_100000210326_100000764135 [0,0,1,0,0,0|3,0,0]=4 518 B16R2.11632 CCCCCSc1nccc2c1scc2 62a_100000210326_100000117209 [0,0,1,0,0,0|3,0,0]=4 519 B16R2.11632 CCCCNCc1cccc2c1CCO2 207a_100000102301_100000045544 [0,0,1,0,0,0|2,0,1]=4 520 B16R2.11632 CCCCNCc1cccc2c1CCO2 270004a_100000102301_100000045544 [0,0,1,0,0,0|2,0,1]=4 521 B16R2.11632 CCCCNCc1cccc2c1OCC2 207a_100000102301_100011934426 [0,0,1,0,0,0|0,1,2]=4 522 B16R2.11632 CCCCNCc1cccc2c1OCC2 2230a_200000703977_100000210211 [0,0,1,0,0,0|0,1,2]=4 523 B16R2.11632 CCCCNCc1cccc2c1OCC2 270004a_100000102301_100011934426 [0,0,1,0,0,0|0,1,2]=4 524 B16R2.11632 CCCCNCc1cccc2c1OCC2 34a_200000703977_100000210210 [0,0,1,0,0,0|0,1,2]=4 525 B16R2.11632 CCCCNCc1cccc2c1OCO2 207a_100000102301_100000028116 [0,0,1,0,0,0|1,1,1]=4 526 B16R2.11632 CCCCNCc1cccc2c1OCO2 2230a_100000743722_100000210211 [0,0,1,0,0,0|1,1,1]=4 527 B16R2.11632 CCCCNCc1cccc2c1OCO2 34a_100000743722_100000210210 [0,0,1,0,0,0|1,1,1]=4 528 B16R2.11632 CCCCNCc1cccc2c1OCO2 7a_106832991798_100010369185 [0,0,1,0,0,0|1,1,1]=4 529 B16R2.11632 CCCCNCc1cccc2c1[nH]cc2 207a_100000102301_100000750900 [0,0,1,0,0,0|1,0,0]=2 530 B16R2.11632 CCCCNCc1cccc2c1[nH]cc2 270004a_100000102301_100000750900 [0,0,1,0,0,0|1,0,0]=2 531 B16R2.11632 CCCCNCc1cccc2c1[nH]cn2 207a_100000102301_100000100021 [0,0,1,0,0,0|2,0,0]=3 532 B16R2.11632 CCCCNCc1cccc2c1[nH]cn2 270004a_100000102301_100000100021 [0,0,1,0,0,0|2,0,0]=3 533 B16R2.11632 CCCCNCc1cccc2c1[nH]nc2 207a_100000102301_100000068382 [0,0,1,0,0,0|2,0,0]=3 534 B16R2.11632 CCCCNCc1cccc2c1[nH]nc2 2230a_100000102301_100000099550 [0,0,1,0,0,0|2,0,0]=3 535 B16R2.11632 CCCCNCc1cccc2c1[nH]nc2 270004a_100000102301_100000068382 [0,0,1,0,0,0|2,0,0]=3 536 B16R2.11632 CCCCNCc1cccc2c1[nH]nc2 7a_106832991798_100000099550 [0,0,1,0,0,0|2,0,0]=3 537 B16R2.11632 CCCCNCc1cccc2c1cc[nH]2 207a_100000102301_100000750904 [0,0,1,0,0,0|2,0,0]=3 538 B16R2.11632 CCCCNCc1cccc2c1ccs2 207a_100000102301_100009860987 [0,0,1,0,0,0|2,0,0]=3 539 B16R2.11632 CCCCNCc1cccc2c1ccs2 270004a_100000102301_100009860987 [0,0,1,0,0,0|2,0,0]=3 540 B16R2.11632 CCCCNCc1cccc2c1cn[nH]2 207a_100000102301_100000068380 [0,0,1,0,0,0|3,0,0]=4 541 B16R2.11632 CCCCNCc1cccc2c1cn[nH]2 2230a_100000102301_100020636439 [0,0,1,0,0,0|3,0,0]=4 542 B16R2.11632 CCCCNCc1cccc2c1cn[nH]2 270004a_100000102301_100000068380 [0,0,1,0,0,0|3,0,0]=4 543 B16R2.11632 CCCCNCc1cccc2c1cn[nH]2 7a_106832991798_100020636439 [0,0,1,0,0,0|3,0,0]=4 544 B16R2.11632 CCCCNCc1cccc2c1ncs2 2230a_100000102301_100010883896 [0,0,1,0,0,0|2,0,0]=3 545 B16R2.11632 CCCCNCc1cccc2c1nsn2 2230a_100000102301_100000689365 [0,0,1,0,0,0|3,0,0]=4 546 B16R2.11632 CCCCNCc1cccc2c1nsn2 270004a_100000102301_100000042144 [0,0,1,0,0,0|3,0,0]=4 547 B16R2.11632 CCCCNCc1cccc2c1nsn2 7a_106832991798_100000689365 [0,0,1,0,0,0|3,0,0]=4 548 B16R2.11632 CCCCNCc1cccc2c1occ2 207a_100000102301_100000050329 [0,0,1,0,0,0|0,1,0]=2 549 B16R2.11632 CCCCNCc1cccc2c1occ2 270004a_100000102301_100000050329 [0,0,1,0,0,0|0,1,0]=2 550 B16R2.11632 CCCCNCc1cccc2c1scc2 207a_100000102301_100011934923 [0,0,1,0,0,0|0,0,0]=1 551 B16R2.11632 CCCCNCc1cccc2c1scc2 2230a_100000102301_100009816938 [0,0,1,0,0,0|0,0,0]=1 552 B16R2.11632 CCCCNCc1cccc2c1scc2 270004a_100000102301_100011934923 [0,0,1,0,0,0|0,0,0]=1 553 B16R2.11632 CCCCNCc1cccc2c1scc2 7a_106832991798_100009816938 [0,0,1,0,0,0|0,0,0]=1 554 B16R2.11632 CCCCNCc1cccc2n1ccn2 207a_100000102301_100000099972 [0,0,1,0,0,0|3,0,0]=4 555 B16R2.11632 CCCCNCc1cccc2n1ccn2 2230a_100000102301_200020640960 [0,0,1,0,0,0|3,0,0]=4 556 B16R2.11632 CCCCNCc1cccc2n1ccn2 270004a_100000102301_100000099972 [0,0,1,0,0,0|3,0,0]=4 557 B16R2.11632 CCCCNCc1cccc2n1ccn2 7a_106832991798_200020640960 [0,0,1,0,0,0|3,0,0]=4 558 B16R2.11632 CCCCNCc1cccc2n1ncc2 207a_100000102301_100000047034 [0,0,1,0,0,0|2,0,0]=3 559 B16R2.11632 CCCCNCc1cccc2n1ncc2 270004a_100000102301_100000047034 [0,0,1,0,0,0|2,0,0]=3 560 B16R2.11632 CCCCNCc1cccc2n1ncn2 270004a_100000102301_200000100101 [0,0,1,0,0,0|3,0,0]=4 561 B16R2.11632 CCCCNCc1cccn2c1ncc2 207a_100000102301_100000084367 [0,0,1,0,0,0|2,0,0]=3 562 B16R2.11632 CCCCNCc1cccn2c1ncc2 270004a_100000102301_100000084367 [0,0,1,0,0,0|2,0,0]=3 563 B16R2.11632 CCCCOCc1cccc2c1[nH]nc2 34a_100000210227_100000099550 [0,0,1,0,0,0|3,0,0]=4 564 B16R2.11632 CCCCOCc1cccc2c1[nH]nc2 7a_100000210227_100000099550 [0,0,1,0,0,0|3,0,0]=4 565 B16R2.11632 CCCCOCc1cccc2c1ncs2 34a_100000210227_100010883896 [0,0,1,0,0,0|3,0,0]=4 566 B16R2.11632 CCCCOCc1cccc2c1scc2 34a_100000210227_100009816938 [0,0,1,0,0,0|1,0,0]=2 567 B16R2.11632 CCCCOCc1cccc2c1scc2 7a_100000210227_100009816938 [0,0,1,0,0,0|1,0,0]=2 568 B16R2.11632 CCCCSCc1cccc2c1[nH]nc2 62a_100000210211_100000099550 [0,0,1,0,0,0|3,0,0]=4 569 B16R2.11632 CCCCSCc1cccc2c1ncs2 62a_100000210211_100010883896 [0,0,1,0,0,0|3,0,0]=4 570 B16R2.11632 CCCCSCc1cccc2c1ncs2 62a_100010883896_100000210210 [0,0,1,0,0,0|3,0,0]=4 571 B16R2.11632 CCCCSCc1cccc2c1scc2 62a_100000210211_100009816938 [0,0,1,0,0,0|1,0,0]=2 572 B16R2.11632 CCCNN=Cc1cccc2c1scc2 4a_100000740057_100011934923 [0,0,1,0,0,0|1,0,2]=4 573 B16R2.11632 CCOCCSc1cccc2c1scc2 62a_100000210147_100000766737 [0,0,1,0,0,0|3,0,0]=4 574 B16R2.11632 CCOCSCc1cccc2c1scc2 62a_100000739092_100009816938 [0,0,1,0,0,0|2,0,0]=3 575 B16R2.11632 CCSCCSc1cccc2c1scc2 62a_100000757381_100000766737 [0,0,1,0,0,0|3,0,0]=4 576 B16R2.11632 COCCCSc1cccc2c1scc2 62a_100000709357_100000766737 [0,0,1,0,0,0|3,0,0]=4 577 B16R2.11632 COCCNCc1cccc2c1[nH]cc2 207a_100000209980_100000750900 [0,0,1,0,0,0|2,0,0]=3 578 B16R2.11632 COCCNCc1cccc2c1[nH]cc2 270004a_100000209980_100000750900 [0,0,1,0,0,0|2,0,0]=3 579 B16R2.11632 COCCNCc1cccc2c1[nH]cn2 207a_100000209980_100000100021 [0,0,1,0,0,0|3,0,0]=4 580 B16R2.11632 COCCNCc1cccc2c1[nH]cn2 270004a_100000209980_100000100021 [0,0,1,0,0,0|3,0,0]=4 581 B16R2.11632 COCCNCc1cccc2c1[nH]nc2 207a_100000209980_100000068382 [0,0,1,0,0,0|3,0,0]=4 582 B16R2.11632 COCCNCc1cccc2c1[nH]nc2 2230a_100000209980_100000099550 [0,0,1,0,0,0|3,0,0]=4 583 B16R2.11632 COCCNCc1cccc2c1[nH]nc2 270004a_100000209980_100000068382 [0,0,1,0,0,0|3,0,0]=4 584 B16R2.11632 COCCNCc1cccc2c1cc[nH]2 207a_100000209980_100000750904 [0,0,1,0,0,0|3,0,0]=4 585 B16R2.11632 COCCNCc1cccc2c1ccs2 207a_100000209980_100009860987 [0,0,1,0,0,0|3,0,0]=4 586 B16R2.11632 COCCNCc1cccc2c1ccs2 270004a_100000209980_100009860987 [0,0,1,0,0,0|3,0,0]=4 587 B16R2.11632 COCCNCc1cccc2c1ncs2 2230a_100000209980_100010883896 [0,0,1,0,0,0|3,0,0]=4 588 B16R2.11632 COCCNCc1cccc2c1occ2 207a_100000209980_100000050329 [0,0,1,0,0,0|1,1,0]=3 589 B16R2.11632 COCCNCc1cccc2c1occ2 270004a_100000209980_100000050329 [0,0,1,0,0,0|1,1,0]=3 590 B16R2.11632 COCCNCc1cccc2c1scc2 207a_100000209980_100011934923 [0,0,1,0,0,0|1,0,0]=2 591 B16R2.11632 COCCNCc1cccc2c1scc2 2230a_100000209980_100009816938 [0,0,1,0,0,0|1,0,0]=2 592 B16R2.11632 COCCNCc1cccc2c1scc2 270004a_100000209980_100011934923 [0,0,1,0,0,0|1,0,0]=2 593 B16R2.11632 COCCNCc1cccc2n1ncc2 207a_100000209980_100000047034 [0,0,1,0,0,0|3,0,0]=4 594 B16R2.11632 COCCNCc1cccc2n1ncc2 270004a_100000209980_100000047034 [0,0,1,0,0,0|3,0,0]=4 595 B16R2.11632 COCCNCc1cccn2c1ncc2 207a_100000209980_100000084367 [0,0,1,0,0,0|3,0,0]=4 596 B16R2.11632 COCCNCc1cccn2c1ncc2 270004a_100000209980_100000084367 [0,0,1,0,0,0|3,0,0]=4 597 B16R2.11632 COCCOCc1cccc2c1scc2 34a_100000210237_100009816938 [0,0,1,0,0,0|2,0,0]=3 598 B16R2.11632 COCCSCc1cccc2c1scc2 62a_100000233755_100009816938 [0,0,1,0,0,0|2,0,0]=3 599 B16R2.11632 CSCCNCc1cccc2c1[nH]cc2 207a_100020590264_100000750900 [0,0,1,0,0,0|2,0,0]=3 600 B16R2.11632 CSCCNCc1cccc2c1[nH]cc2 270004a_100020590264_100000750900 [0,0,1,0,0,0|2,0,0]=3 601 B16R2.11632 CSCCNCc1cccc2c1[nH]cn2 207a_100020590264_100000100021 [0,0,1,0,0,0|3,0,0]=4 602 B16R2.11632 CSCCNCc1cccc2c1[nH]cn2 270004a_100020590264_100000100021 [0,0,1,0,0,0|3,0,0]=4 603 B16R2.11632 CSCCNCc1cccc2c1[nH]nc2 207a_100020590264_100000068382 [0,0,1,0,0,0|3,0,0]=4 604 B16R2.11632 CSCCNCc1cccc2c1[nH]nc2 2230a_100020590264_100000099550 [0,0,1,0,0,0|3,0,0]=4 605 B16R2.11632 CSCCNCc1cccc2c1[nH]nc2 270004a_100020590264_100000068382 [0,0,1,0,0,0|3,0,0]=4 606 B16R2.11632 CSCCNCc1cccc2c1cc[nH]2 207a_100020590264_100000750904 [0,0,1,0,0,0|3,0,0]=4 607 B16R2.11632 CSCCNCc1cccc2c1ccs2 207a_100020590264_100009860987 [0,0,1,0,0,0|3,0,0]=4 608 B16R2.11632 CSCCNCc1cccc2c1ccs2 270004a_100020590264_100009860987 [0,0,1,0,0,0|3,0,0]=4 609 B16R2.11632 CSCCNCc1cccc2c1ncs2 2230a_100020590264_100010883896 [0,0,1,0,0,0|3,0,0]=4 610 B16R2.11632 CSCCNCc1cccc2c1occ2 207a_100020590264_100000050329 [0,0,1,0,0,0|1,1,0]=3 611 B16R2.11632 CSCCNCc1cccc2c1occ2 270004a_100020590264_100000050329 [0,0,1,0,0,0|1,1,0]=3 612 B16R2.11632 CSCCNCc1cccc2c1scc2 207a_100020590264_100011934923 [0,0,1,0,0,0|1,0,0]=2 613 B16R2.11632 CSCCNCc1cccc2c1scc2 2230a_100020590264_100009816938 [0,0,1,0,0,0|1,0,0]=2 614 B16R2.11632 CSCCNCc1cccc2c1scc2 270004a_100020590264_100011934923 [0,0,1,0,0,0|1,0,0]=2 615 B16R2.11632 CSCCNCc1cccc2n1ncc2 207a_100020590264_100000047034 [0,0,1,0,0,0|3,0,0]=4 616 B16R2.11632 CSCCNCc1cccc2n1ncc2 270004a_100020590264_100000047034 [0,0,1,0,0,0|3,0,0]=4 617 B16R2.11632 CSCCNCc1cccn2c1ncc2 207a_100020590264_100000084367 [0,0,1,0,0,0|3,0,0]=4 618 B16R2.11632 CSCCNCc1cccn2c1ncc2 270004a_100020590264_100000084367 [0,0,1,0,0,0|3,0,0]=4 619 B16R2.11632 CSCCOCc1cccc2c1scc2 34a_100000230434_100009816938 [0,0,1,0,0,0|2,0,0]=3 620 B16R2.11632 CSCCOCc1cccc2c1scc2 7a_100000230434_100009816938 [0,0,1,0,0,0|2,0,0]=3 621 B16R2.11632 CSCCSCc1cccc2c1scc2 62a_100000212216_100009816938 [0,0,1,0,0,0|2,0,0]=3 622 B16R2.11632 ClCCCOCc1cccc2c1scc2 34a_100000230001_100009816938 [0,0,1,0,0,0|2,0,0]=3 623 B16R2.11632 FCCCCSc1cccc2c1scc2 62a_100000729493_100000766737 [0,0,1,0,0,0|3,0,0]=4 624 B16R2.11632 FCCCNCc1cccc2c1[nH]cc2 207a_100015189416_100000750900 [0,0,1,0,0,0|2,0,0]=3 625 B16R2.11632 FCCCNCc1cccc2c1[nH]cc2 270004a_100015189416_100000750900 [0,0,1,0,0,0|2,0,0]=3 626 B16R2.11632 FCCCNCc1cccc2c1[nH]cn2 207a_100015189416_100000100021 [0,0,1,0,0,0|3,0,0]=4 627 B16R2.11632 FCCCNCc1cccc2c1[nH]cn2 270004a_100015189416_100000100021 [0,0,1,0,0,0|3,0,0]=4 628 B16R2.11632 FCCCNCc1cccc2c1[nH]nc2 207a_100015189416_100000068382 [0,0,1,0,0,0|3,0,0]=4 629 B16R2.11632 FCCCNCc1cccc2c1[nH]nc2 2230a_100015189416_100000099550 [0,0,1,0,0,0|3,0,0]=4 630 B16R2.11632 FCCCNCc1cccc2c1[nH]nc2 270004a_100015189416_100000068382 [0,0,1,0,0,0|3,0,0]=4 631 B16R2.11632 FCCCNCc1cccc2c1[nH]nc2 34a_100015189416_100000099550 [0,0,1,0,0,0|3,0,0]=4 632 B16R2.11632 FCCCNCc1cccc2c1cc[nH]2 207a_100015189416_100000750904 [0,0,1,0,0,0|3,0,0]=4 633 B16R2.11632 FCCCNCc1cccc2c1ccs2 207a_100015189416_100009860987 [0,0,1,0,0,0|3,0,0]=4 634 B16R2.11632 FCCCNCc1cccc2c1ccs2 270004a_100015189416_100009860987 [0,0,1,0,0,0|3,0,0]=4 635 B16R2.11632 FCCCNCc1cccc2c1ncs2 2230a_100015189416_100010883896 [0,0,1,0,0,0|3,0,0]=4 636 B16R2.11632 FCCCNCc1cccc2c1ncs2 34a_100015189416_100010883896 [0,0,1,0,0,0|3,0,0]=4 637 B16R2.11632 FCCCNCc1cccc2c1occ2 207a_100015189416_100000050329 [0,0,1,0,0,0|1,1,0]=3 638 B16R2.11632 FCCCNCc1cccc2c1occ2 270004a_100015189416_100000050329 [0,0,1,0,0,0|1,1,0]=3 639 B16R2.11632 FCCCNCc1cccc2c1scc2 207a_100015189416_100011934923 [0,0,1,0,0,0|1,0,0]=2 640 B16R2.11632 FCCCNCc1cccc2c1scc2 2230a_100015189416_100009816938 [0,0,1,0,0,0|1,0,0]=2 641 B16R2.11632 FCCCNCc1cccc2c1scc2 270004a_100015189416_100011934923 [0,0,1,0,0,0|1,0,0]=2 642 B16R2.11632 FCCCNCc1cccc2c1scc2 34a_100015189416_100009816938 [0,0,1,0,0,0|1,0,0]=2 643 B16R2.11632 FCCCNCc1cccc2n1ncc2 207a_100015189416_100000047034 [0,0,1,0,0,0|3,0,0]=4 644 B16R2.11632 FCCCNCc1cccc2n1ncc2 270004a_100015189416_100000047034 [0,0,1,0,0,0|3,0,0]=4 645 B16R2.11632 FCCCNCc1cccn2c1ncc2 207a_100015189416_100000084367 [0,0,1,0,0,0|3,0,0]=4 646 B16R2.11632 FCCCNCc1cccn2c1ncc2 270004a_100015189416_100000084367 [0,0,1,0,0,0|3,0,0]=4 647 B16R2.11632 FCCCOCc1cccc2c1scc2 34a_100000759539_100009816938 [0,0,1,0,0,0|2,0,0]=3 648 B16R2.11632 FCCCSCc1cccc2c1scc2 62a_100011934791_100009816938 [0,0,1,0,0,0|2,0,0]=3 649 B16R2.11632 N#CCCNCc1cccc2c1[nH]cc2 270004a_100000720768_100000750900 [0,0,1,0,0,0|2,0,1]=4 650 B16R2.11632 N#CCCNCc1cccc2c1occ2 270004a_100000720768_100000050329 [0,0,1,0,0,0|1,1,1]=4 651 B16R2.11632 N#CCCNCc1cccc2c1scc2 270004a_100000720768_100011934923 [0,0,1,0,0,0|1,0,1]=3 652 B16R2.11632 N#CCCSCc1cccc2c1scc2 62a_100011215226_100009816938 [0,0,1,0,0,0|2,0,1]=4 653 B16R2.11632 NCCCOCc1cccc2c1scc2 34a_100000182051_100009816938 [0,0,1,0,0,0|2,0,0]=3 654 B16R2.11632 NOCCOCc1cccc2c1scc2 34a_100000700252_100009816938 [0,0,1,0,0,0|3,0,0]=4 655 B16R2.11632 OCCCCSc1cccc2c1scc2 62a_100000210776_100000766737 [0,0,1,0,0,0|3,0,0]=4 656 B16R2.11632 OCCCNCc1cccc2c1[nH]cc2 207a_100000182051_100000750900 [0,0,1,0,0,0|2,0,0]=3 657 B16R2.11632 OCCCNCc1cccc2c1[nH]cc2 270004a_100000182051_100000750900 [0,0,1,0,0,0|2,0,0]=3 658 B16R2.11632 OCCCNCc1cccc2c1[nH]cn2 207a_100000182051_100000100021 [0,0,1,0,0,0|3,0,0]=4 659 B16R2.11632 OCCCNCc1cccc2c1[nH]cn2 270004a_100000182051_100000100021 [0,0,1,0,0,0|3,0,0]=4 660 B16R2.11632 OCCCNCc1cccc2c1[nH]nc2 207a_100000182051_100000068382 [0,0,1,0,0,0|3,0,0]=4 661 B16R2.11632 OCCCNCc1cccc2c1[nH]nc2 270004a_100000182051_100000068382 [0,0,1,0,0,0|3,0,0]=4 662 B16R2.11632 OCCCNCc1cccc2c1cc[nH]2 207a_100000182051_100000750904 [0,0,1,0,0,0|3,0,0]=4 663 B16R2.11632 OCCCNCc1cccc2c1ccs2 207a_100000182051_100009860987 [0,0,1,0,0,0|3,0,0]=4 664 B16R2.11632 OCCCNCc1cccc2c1ccs2 270004a_100000182051_100009860987 [0,0,1,0,0,0|3,0,0]=4 665 B16R2.11632 OCCCNCc1cccc2c1occ2 207a_100000182051_100000050329 [0,0,1,0,0,0|1,1,0]=3 666 B16R2.11632 OCCCNCc1cccc2c1occ2 270004a_100000182051_100000050329 [0,0,1,0,0,0|1,1,0]=3 667 B16R2.11632 OCCCNCc1cccc2c1scc2 207a_100000182051_100011934923 [0,0,1,0,0,0|1,0,0]=2 668 B16R2.11632 OCCCNCc1cccc2c1scc2 270004a_100000182051_100011934923 [0,0,1,0,0,0|1,0,0]=2 669 B16R2.11632 OCCCNCc1cccc2n1ncc2 207a_100000182051_100000047034 [0,0,1,0,0,0|3,0,0]=4 670 B16R2.11632 OCCCNCc1cccc2n1ncc2 270004a_100000182051_100000047034 [0,0,1,0,0,0|3,0,0]=4 671 B16R2.11632 OCCCNCc1cccn2c1ncc2 207a_100000182051_100000084367 [0,0,1,0,0,0|3,0,0]=4 672 B16R2.11632 OCCCNCc1cccn2c1ncc2 270004a_100000182051_100000084367 [0,0,1,0,0,0|3,0,0]=4 673 B16R2.11632 OCCCSCc1cccc2c1scc2 62a_100011215043_100009816938 [0,0,1,0,0,0|2,0,0]=3 674 B16R2.27401 C=C(C)COCc1cccc2c1scc2 34a_100000210245_100009816938 [0,0,1,0,0,0|1,0,2]=4 675 B16R2.27401 C=C(C)CSCc1cccc2c1scc2 62a_100000748629_100009816938 [0,0,1,0,0,0|1,0,2]=4 676 B16R2.27401 CC(=O)COCc1cccc2c1scc2 34a_100000211253_100009816938 [0,0,1,0,0,0|2,0,1]=4 677 B16R2.27401 CC(Br)COCc1cccc2c1scc2 34a_100012180447_100009816938 [0,0,1,0,0,0|2,0,0]=3 678 B16R2.27401 CC(C)CC=Cc1cccc2c1CC=C2 271570a_100016259101_100009844718 [0,0,1,0,0,0|2,0,1]=4 679 B16R2.27401 CC(C)CC=Cc1cccc2c1[nH]cc2 271570a_100016259101_100009813418 [0,0,1,0,0,0|2,0,1]=4 680 B16R2.27401 CC(C)CC=Cc1cccc2c1occ2 271570a_100016259101_100011935138 [0,0,1,0,0,0|1,1,1]=4 681 B16R2.27401 CC(C)CC=Cc1cccc2c1scc2 271570a_100016259101_100000766737 [0,0,1,0,0,0|1,0,1]=3 682 B16R2.27401 CC(C)CC=Cc1cccc2c1scn2 271570a_100016259101_100010246326 [0,0,1,0,0,0|2,0,1]=4 683 B16R2.27401 CC(C)CC=Cc1ccnc2c1scc2 271570a_100016259101_100000723842 [0,0,1,0,0,0|2,0,1]=4 684 B16R2.27401 CC(C)CC=Cc1nccc2c1scc2 271570a_100016259101_100000117209 [0,0,1,0,0,0|2,0,1]=4 685 B16R2.27401 CC(C)CCNc1cccc2c1scn2 34a_100000099145_100000210312 [0,0,1,0,0,0|3,0,0]=4 686 B16R2.27401 CC(C)CCNc1ccnc2c1scc2 27a_100000210545_100000764135 [0,0,1,0,0,0|3,0,0]=4 687 B16R2.27401 CC(C)CCNc1nccc2c1scc2 27a_100000210545_100000117209 [0,0,1,0,0,0|3,0,0]=4 688 B16R2.27401 CC(C)CCOc1ccnc2c1scc2 34a_100000759877_100000210312 [0,0,1,0,0,0|3,0,0]=4 689 B16R2.27401 CC(C)CCSc1cccc2c1CC=C2 62a_100000210312_100009844718 [0,0,1,0,0,0|3,0,0]=4 690 B16R2.27401 CC(C)CCSc1cccc2c1CC=C2 62a_100009844718_100000210312 [0,0,1,0,0,0|3,0,0]=4 691 B16R2.27401 CC(C)CCSc1cccc2c1[nH]cc2 62a_100000210312_100009813418 [0,0,1,0,0,0|3,0,0]=4 692 B16R2.27401 CC(C)CCSc1cccc2c1occ2 62a_100000210312_100011935138 [0,0,1,0,0,0|2,1,0]=4 693 B16R2.27401 CC(C)CCSc1cccc2c1scc2 62a_100000210312_100000766737 [0,0,1,0,0,0|2,0,0]=3 694 B16R2.27401 CC(C)CCSc1cccc2c1scn2 62a_100000210312_100010246326 [0,0,1,0,0,0|3,0,0]=4 695 B16R2.27401 CC(C)CCSc1ccnc2c1scc2 62a_100000210312_100000764135 [0,0,1,0,0,0|3,0,0]=4 696 B16R2.27401 CC(C)CCSc1nccc2c1scc2 62a_100000210312_100000117209 [0,0,1,0,0,0|3,0,0]=4 697 B16R2.27401 CC(C)CNCc1cccc2c1CCC2 26a_100000210953_100000074356 [0,0,1,0,0,0|1,0,2]=4 698 B16R2.27401 CC(C)CNCc1cccc2c1CCO2 207a_100000210953_100000045544 [0,0,1,0,0,0|2,0,1]=4 699 B16R2.27401 CC(C)CNCc1cccc2c1CCO2 26a_100000210953_100000090053 [0,0,1,0,0,0|2,0,1]=4 700 B16R2.27401 CC(C)CNCc1cccc2c1CCO2 270004a_100000210953_100000045544 [0,0,1,0,0,0|2,0,1]=4 701 B16R2.27401 CC(C)CNCc1cccc2c1OCC2 207a_100000210953_100011934426 [0,0,1,0,0,0|0,1,2]=4 702 B16R2.27401 CC(C)CNCc1cccc2c1OCC2 2230a_200000703977_100000210760 [0,0,1,0,0,0|0,1,2]=4 703 B16R2.27401 CC(C)CNCc1cccc2c1OCC2 270004a_100000210953_100011934426 [0,0,1,0,0,0|0,1,2]=4 704 B16R2.27401 CC(C)CNCc1cccc2c1OCC2 270004a_200000703977_100000210432 [0,0,1,0,0,0|0,1,2]=4 705 B16R2.27401 CC(C)CNCc1cccc2c1OCC2 34a_200000703977_100000210624 [0,0,1,0,0,0|0,1,2]=4 706 B16R2.27401 CC(C)CNCc1cccc2c1OCO2 207a_100000210953_100000028116 [0,0,1,0,0,0|1,1,1]=4 707 B16R2.27401 CC(C)CNCc1cccc2c1OCO2 2230a_100000743722_100000210760 [0,0,1,0,0,0|1,1,1]=4 708 B16R2.27401 CC(C)CNCc1cccc2c1OCO2 270004a_100000743722_100000210432 [0,0,1,0,0,0|1,1,1]=4 709 B16R2.27401 CC(C)CNCc1cccc2c1OCO2 34a_100000743722_100000210624 [0,0,1,0,0,0|1,1,1]=4 710 B16R2.27401 CC(C)CNCc1cccc2c1[nH]cc2 207a_100000210953_100000750900 [0,0,1,0,0,0|1,0,0]=2 711 B16R2.27401 CC(C)CNCc1cccc2c1[nH]cc2 270004a_100000210953_100000750900 [0,0,1,0,0,0|1,0,0]=2 712 B16R2.27401 CC(C)CNCc1cccc2c1[nH]cn2 207a_100000210953_100000100021 [0,0,1,0,0,0|2,0,0]=3 713 B16R2.27401 CC(C)CNCc1cccc2c1[nH]cn2 270004a_100000210953_100000100021 [0,0,1,0,0,0|2,0,0]=3 714 B16R2.27401 CC(C)CNCc1cccc2c1[nH]nc2 207a_100000210953_100000068382 [0,0,1,0,0,0|2,0,0]=3 715 B16R2.27401 CC(C)CNCc1cccc2c1[nH]nc2 2230a_100000210953_100000099550 [0,0,1,0,0,0|2,0,0]=3 716 B16R2.27401 CC(C)CNCc1cccc2c1[nH]nc2 270004a_100000099547_100000210432 [0,0,1,0,0,0|2,0,0]=3 717 B16R2.27401 CC(C)CNCc1cccc2c1[nH]nc2 270004a_100000210953_100000068382 [0,0,1,0,0,0|2,0,0]=3 718 B16R2.27401 CC(C)CNCc1cccc2c1[nH]nc2 34a_100000210953_100000099550 [0,0,1,0,0,0|2,0,0]=3 719 B16R2.27401 CC(C)CNCc1cccc2c1cc[nH]2 207a_100000210953_100000750904 [0,0,1,0,0,0|2,0,0]=3 720 B16R2.27401 CC(C)CNCc1cccc2c1cc[nH]2 270004a_100011912549_100000210432 [0,0,1,0,0,0|2,0,0]=3 721 B16R2.27401 CC(C)CNCc1cccc2c1ccs2 207a_100000210953_100009860987 [0,0,1,0,0,0|2,0,0]=3 722 B16R2.27401 CC(C)CNCc1cccc2c1ccs2 270004a_100000210953_100009860987 [0,0,1,0,0,0|2,0,0]=3 723 B16R2.27401 CC(C)CNCc1cccc2c1cn[nH]2 207a_100000210953_100000068380 [0,0,1,0,0,0|3,0,0]=4 724 B16R2.27401 CC(C)CNCc1cccc2c1cn[nH]2 2230a_100000210953_100020636439 [0,0,1,0,0,0|3,0,0]=4 725 B16R2.27401 CC(C)CNCc1cccc2c1cn[nH]2 26a_100000210953_100000050265 [0,0,1,0,0,0|3,0,0]=4 726 B16R2.27401 CC(C)CNCc1cccc2c1cn[nH]2 270004a_100000099548_100000210432 [0,0,1,0,0,0|3,0,0]=4 727 B16R2.27401 CC(C)CNCc1cccc2c1cn[nH]2 270004a_100000210953_100000068380 [0,0,1,0,0,0|3,0,0]=4 728 B16R2.27401 CC(C)CNCc1cccc2c1cn[nH]2 34a_100000210953_100020636439 [0,0,1,0,0,0|3,0,0]=4 729 B16R2.27401 CC(C)CNCc1cccc2c1ncs2 2230a_100000210953_100010883896 [0,0,1,0,0,0|2,0,0]=3 730 B16R2.27401 CC(C)CNCc1cccc2c1ncs2 34a_100000210953_100010883896 [0,0,1,0,0,0|2,0,0]=3 731 B16R2.27401 CC(C)CNCc1cccc2c1nsn2 2230a_100000210953_100000689365 [0,0,1,0,0,0|3,0,0]=4 732 B16R2.27401 CC(C)CNCc1cccc2c1nsn2 270004a_100000210953_100000042144 [0,0,1,0,0,0|3,0,0]=4 733 B16R2.27401 CC(C)CNCc1cccc2c1nsn2 34a_100000210953_100000689365 [0,0,1,0,0,0|3,0,0]=4 734 B16R2.27401 CC(C)CNCc1cccc2c1occ2 207a_100000210953_100000050329 [0,0,1,0,0,0|0,1,0]=2 735 B16R2.27401 CC(C)CNCc1cccc2c1occ2 270004a_100000210953_100000050329 [0,0,1,0,0,0|0,1,0]=2 736 B16R2.27401 CC(C)CNCc1cccc2c1scc2 207a_100000210953_100011934923 [0,0,1,0,0,0|0,0,0]=1 737 B16R2.27401 CC(C)CNCc1cccc2c1scc2 2230a_100000210953_100009816938 [0,0,1,0,0,0|0,0,0]=1 738 B16R2.27401 CC(C)CNCc1cccc2c1scc2 270004a_100000210953_100011934923 [0,0,1,0,0,0|0,0,0]=1 739 B16R2.27401 CC(C)CNCc1cccc2c1scc2 34a_100000210953_100009816938 [0,0,1,0,0,0|0,0,0]=1 740 B16R2.27401 CC(C)CNCc1cccc2n1ccn2 207a_100000210953_100000099972 [0,0,1,0,0,0|3,0,0]=4 741 B16R2.27401 CC(C)CNCc1cccc2n1ccn2 2230a_100000210953_200020640960 [0,0,1,0,0,0|3,0,0]=4 742 B16R2.27401 CC(C)CNCc1cccc2n1ccn2 270004a_100000210953_100000099972 [0,0,1,0,0,0|3,0,0]=4 743 B16R2.27401 CC(C)CNCc1cccc2n1ccn2 34a_100000210953_200020640960 [0,0,1,0,0,0|3,0,0]=4 744 B16R2.27401 CC(C)CNCc1cccc2n1ncc2 207a_100000210953_100000047034 [0,0,1,0,0,0|2,0,0]=3 745 B16R2.27401 CC(C)CNCc1cccc2n1ncc2 270004a_100000210953_100000047034 [0,0,1,0,0,0|2,0,0]=3 746 B16R2.27401 CC(C)CNCc1cccc2n1ncn2 270004a_100000210953_200000100101 [0,0,1,0,0,0|3,0,0]=4 747 B16R2.27401 CC(C)CNCc1cccn2c1ncc2 207a_100000210953_100000084367 [0,0,1,0,0,0|2,0,0]=3 748 B16R2.27401 CC(C)CNCc1cccn2c1ncc2 270004a_100000210953_100000084367 [0,0,1,0,0,0|2,0,0]=3 749 B16R2.27401 CC(C)CNCc1ccnc2c1cc[nH]2 270004a_100025756391_100000210432 [0,0,1,0,0,0|3,0,0]=4 750 B16R2.27401 CC(C)COCc1cccc2c1[nH]nc2 34a_100000210257_100000099550 [0,0,1,0,0,0|3,0,0]=4 751 B16R2.27401 CC(C)COCc1cccc2c1ncs2 34a_100000210257_100010883896 [0,0,1,0,0,0|3,0,0]=4 752 B16R2.27401 CC(C)COCc1cccc2c1scc2 34a_100000210257_100009816938 [0,0,1,0,0,0|1,0,0]=2 753 B16R2.27401 CC(C)CSCc1cccc2c1[nH]nc2 62a_100000210624_100000099550 [0,0,1,0,0,0|3,0,0]=4 754 B16R2.27401 CC(C)CSCc1cccc2c1ncs2 62a_100000210624_100010883896 [0,0,1,0,0,0|3,0,0]=4 755 B16R2.27401 CC(C)CSCc1cccc2c1ncs2 62a_100010883896_100000210760 [0,0,1,0,0,0|3,0,0]=4 756 B16R2.27401 CC(C)CSCc1cccc2c1scc2 62a_100000210624_100009816938 [0,0,1,0,0,0|1,0,0]=2 757 B16R2.27401 CC(C)NN=Cc1cccc2c1scc2 4a_100000741168_100011934923 [0,0,1,0,0,0|1,0,2]=4 758 B16R2.27401 CC(C)OCSc1cccc2c1scc2 62a_100000709892_100000766737 [0,0,1,0,0,0|3,0,0]=4 759 B16R2.27401 CC(F)COCc1cccc2c1scc2 34a_100015925927_100009816938 [0,0,1,0,0,0|2,0,0]=3 760 B16R2.27401 CC(O)CCSc1cccc2c1scc2 62a_100012276601_100000766737 [0,0,1,0,0,0|3,0,0]=4 761 B16R2.27401 CC(O)CNCc1cccc2c1[nH]cc2 207a_100000210904_100000750900 [0,0,1,0,0,0|2,0,0]=3 762 B16R2.27401 CC(O)CNCc1cccc2c1[nH]cc2 270004a_100000210904_100000750900 [0,0,1,0,0,0|2,0,0]=3 763 B16R2.27401 CC(O)CNCc1cccc2c1[nH]cn2 207a_100000210904_100000100021 [0,0,1,0,0,0|3,0,0]=4 764 B16R2.27401 CC(O)CNCc1cccc2c1[nH]cn2 270004a_100000210904_100000100021 [0,0,1,0,0,0|3,0,0]=4 765 B16R2.27401 CC(O)CNCc1cccc2c1[nH]nc2 207a_100000210904_100000068382 [0,0,1,0,0,0|3,0,0]=4 766 B16R2.27401 CC(O)CNCc1cccc2c1[nH]nc2 2230a_100000210904_100000099550 [0,0,1,0,0,0|3,0,0]=4 767 B16R2.27401 CC(O)CNCc1cccc2c1[nH]nc2 270004a_100000210904_100000068382 [0,0,1,0,0,0|3,0,0]=4 768 B16R2.27401 CC(O)CNCc1cccc2c1[nH]nc2 34a_100000210904_100000099550 [0,0,1,0,0,0|3,0,0]=4 769 B16R2.27401 CC(O)CNCc1cccc2c1cc[nH]2 207a_100000210904_100000750904 [0,0,1,0,0,0|3,0,0]=4 770 B16R2.27401 CC(O)CNCc1cccc2c1ccs2 207a_100000210904_100009860987 [0,0,1,0,0,0|3,0,0]=4 771 B16R2.27401 CC(O)CNCc1cccc2c1ccs2 270004a_100000210904_100009860987 [0,0,1,0,0,0|3,0,0]=4 772 B16R2.27401 CC(O)CNCc1cccc2c1ncs2 2230a_100000210904_100010883896 [0,0,1,0,0,0|3,0,0]=4 773 B16R2.27401 CC(O)CNCc1cccc2c1ncs2 34a_100000210904_100010883896 [0,0,1,0,0,0|3,0,0]=4 774 B16R2.27401 CC(O)CNCc1cccc2c1occ2 207a_100000210904_100000050329 [0,0,1,0,0,0|1,1,0]=3 775 B16R2.27401 CC(O)CNCc1cccc2c1occ2 270004a_100000210904_100000050329 [0,0,1,0,0,0|1,1,0]=3 776 B16R2.27401 CC(O)CNCc1cccc2c1scc2 207a_100000210904_100011934923 [0,0,1,0,0,0|1,0,0]=2 777 B16R2.27401 CC(O)CNCc1cccc2c1scc2 2230a_100000210904_100009816938 [0,0,1,0,0,0|1,0,0]=2 778 B16R2.27401 CC(O)CNCc1cccc2c1scc2 270004a_100000210904_100011934923 [0,0,1,0,0,0|1,0,0]=2 779 B16R2.27401 CC(O)CNCc1cccc2c1scc2 34a_100000210904_100009816938 [0,0,1,0,0,0|1,0,0]=2 780 B16R2.27401 CC(O)CNCc1cccc2n1ncc2 207a_100000210904_100000047034 [0,0,1,0,0,0|3,0,0]=4 781 B16R2.27401 CC(O)CNCc1cccc2n1ncc2 270004a_100000210904_100000047034 [0,0,1,0,0,0|3,0,0]=4 782 B16R2.27401 CC(O)CNCc1cccn2c1ncc2 207a_100000210904_100000084367 [0,0,1,0,0,0|3,0,0]=4 783 B16R2.27401 CC(O)CNCc1cccn2c1ncc2 270004a_100000210904_100000084367 [0,0,1,0,0,0|3,0,0]=4 784 B16R2.27401 CC(O)CSCc1cccc2c1scc2 62a_100011218427_100009816938 [0,0,1,0,0,0|2,0,0]=3 785 B16R2.27401 C[C@@H](Cl)COCc1cccc2c1scc2 34a_100016084084_100009816938 [0,0,1,0,0,0|2,0,0]=3 786 B16R2.27401 C[C@@H](N)COCc1cccc2c1scc2 34a_100000737577_100009816938 [0,0,1,0,0,0|2,0,0]=3 787 B16R2.27401 C[C@@H](O)CSCc1cccc2c1scc2 62a_100009817552_100009816938 [0,0,1,0,0,0|2,0,0]=3 788 B16R2.27401 FC(F)CNCc1cccc2c1[nH]cc2 207a_100000765723_100000750900 [0,0,1,0,0,0|3,0,0]=4 789 B16R2.27401 FC(F)CNCc1cccc2c1[nH]cc2 270004a_100000765723_100000750900 [0,0,1,0,0,0|3,0,0]=4 790 B16R2.27401 FC(F)CNCc1cccc2c1occ2 207a_100000765723_100000050329 [0,0,1,0,0,0|2,1,0]=4 791 B16R2.27401 FC(F)CNCc1cccc2c1occ2 270004a_100000765723_100000050329 [0,0,1,0,0,0|2,1,0]=4 792 B16R2.27401 FC(F)CNCc1cccc2c1scc2 207a_100000765723_100011934923 [0,0,1,0,0,0|2,0,0]=3 793 B16R2.27401 FC(F)CNCc1cccc2c1scc2 270004a_100000765723_100011934923 [0,0,1,0,0,0|2,0,0]=3 794 B16R2.27401 FC(F)CNCc1cccc2c1scc2 34a_100000765723_100009816938 [0,0,1,0,0,0|2,0,0]=3 795 B16R2.27401 FC(F)COCc1cccc2c1scc2 34a_100000743014_100009816938 [0,0,1,0,0,0|3,0,0]=4 796 B16R2.27401 FC(F)CSCc1cccc2c1scc2 62a_100011934356_100009816938 [0,0,1,0,0,0|3,0,0]=4 797 B16R2.27401 NC(=O)CNCc1cccc2c1scc2 2230a_100000711301_100009816938 [0,0,1,0,0,0|2,0,1]=4 798 B16R2.27401 O=C(O)CNCc1cccc2c1scc2 269956a_100016091260_100009816938 [0,0,1,0,0,0|2,0,1]=4 799 B16R2.28197 C=C=Cc1cccc(c1)CNCC2CC2 271570a_100015277604_100000712819 [0,0,1,0,0,0|1,0,1]=3 800 B16R2.28197 CC=Cc1cccc(c1)CNCC2CC2 271570a_100016259895_100000712819 [0,0,1,0,0,0|1,0,0]=2 801 B16R2.28197 CCOc1cccc(c1)CNCC2CC2 207a_100000735609_100000170239 [0,0,1,0,0,0|2,0,1]=4 802 B16R2.28197 CCOc1cccc(c1)CNCC2CC2 2230a_106359896916_100000742324 [0,0,1,0,0,0|2,0,1]=4 803 B16R2.28197 CCOc1cccc(c1)CNCC2CC2 269862a_106359896916_100000741477 [0,0,1,0,0,0|2,0,1]=4 804 B16R2.28197 CCOc1cccc(c1)CNCC2CC2 270004a_100000735609_100000170239 [0,0,1,0,0,0|2,0,1]=4 805 B16R2.28197 CCOc1cccc(c1)CNCC2CC2 34a_106359896916_100000742324 [0,0,1,0,0,0|2,0,1]=4 806 B16R2.28197 CCSc1cccc(c1)CNCC2CC2 62a_100000210202_100000712819 [0,0,1,0,0,0|2,0,1]=4 807 B16R2.28197 CCSc1cccc(c1)CNCC2CC2 62a_100000712819_100000210202 [0,0,1,0,0,0|2,0,1]=4 808 B16R2.28197 FCSc1cccc(c1)CNCC2CC2 62a_100000712819_100015361967 [0,0,1,0,0,0|2,0,1]=4 809 B16R2.28197 FCSc1cccc(c1)CNCC2CC2 62a_100015361967_100000712819 [0,0,1,0,0,0|2,0,1]=4 810 B16R2.28389 C=CCc1ccccc1CNCC2CC2 207a_100000735609_100010619294 [0,0,1,0,0,0|1,0,0]=2 811 B16R2.28389 C=CCc1ccccc1CNCC2CC2 270004a_100000735609_100010619294 [0,0,1,0,0,0|1,0,0]=2 812 B16R2.28389 C=CCc1ccccc1NCCC2CC2 2230a_200138433279_100000694398 [0,0,1,0,0,0|3,0,0]=4 813 B16R2.28389 C=CCc1ccccc1NCCC2CC2 34a_200138433279_100000694398 [0,0,1,0,0,0|3,0,0]=4 814 B16R2.28389 C=CCc1ccccc1OCCC2CC2 34a_100000211836_100000694398 [0,0,1,0,0,0|3,0,0]=4 815 B16R2.28389 C=CCc1ccccc1OCCC2CC2 7a_100000211836_100000764125 [0,0,1,0,0,0|3,0,0]=4 816 B16R2.28389 C=CCc1ccccc1SCCC2CC2 62a_100000764125_100009828059 [0,0,1,0,0,0|3,0,0]=4 817 B16R2.28389 C=CCc1ccccc1SCCC2CC2 62a_100009828059_100000764125 [0,0,1,0,0,0|3,0,0]=4 818 B16R2.28389 CCOc1ccccc1CNCC2CC2 207a_100000735609_100000169843 [0,0,1,0,0,0|0,1,2]=4 819 B16R2.28389 CCOc1ccccc1CNCC2CC2 269862a_100000188671_100000741477 [0,0,1,0,0,0|0,1,2]=4 820 B16R2.28389 CCOc1ccccc1CNCC2CC2 270004a_100000735609_100000169843 [0,0,1,0,0,0|0,1,2]=4 821 B16R2.28389 N#CCc1ccccc1CNCC2CC2 2230a_100000735609_100010402002 [0,0,1,0,0,0|2,0,1]=4 822 B16R3.6443 C(#CC1CC1)c2cccc3c2CC=C3 271570a_200009880635_100009844718 [0,0,0,0,1,0|1,0,2]=4 823 B16R3.6443 C(#CC1CC1)c2cccc3c2[nH]cc3 271570a_200009880635_100009813418 [0,0,0,0,1,0|1,0,2]=4 824 B16R3.6443 C(#CC1CC1)c2cccc3c2occ3 271570a_200009880635_100011935138 [0,0,0,0,1,0|0,1,2]=4 825 B16R3.6443 C(#CC1CC1)c2cccc3c2scc3 271570a_200009880635_100000766737 [0,0,0,0,1,0|0,0,2]=3 826 B16R3.6443 C(#CC1CC1)c2cccc3c2scn3 271570a_200009880635_100010246326 [0,0,0,0,1,0|1,0,2]=4 827 B16R3.6443 C(#CC1CC1)c2ccnc3c2scc3 271570a_200009880635_100000723842 [0,0,0,0,1,0|1,0,2]=4 828 B16R3.6443 C(#CC1CC1)c2nccc3c2scc3 271570a_200009880635_100000117209 [0,0,0,0,1,0|1,0,2]=4 829 B16R3.6443 C(=CC1CC1)c2cccc3c2[nH]cc3 271570a_100102526188_100009813418 [0,0,0,0,1,0|1,0,2]=4 830 B16R3.6443 C(=CC1CC1)c2cccc3c2occ3 271570a_100102526188_100011935138 [0,0,0,0,1,0|0,1,2]=4 831 B16R3.6443 C(=CC1CC1)c2cccc3c2scc3 271570a_100102526188_100000766737 [0,0,0,0,1,0|0,0,2]=3 832 B16R3.6443 C(=CC1CC1)c2cccc3c2scn3 271570a_100102526188_100010246326 [0,0,0,0,1,0|1,0,2]=4 833 B16R3.6443 C(=CC1CC1)c2ccnc3c2scc3 271570a_100102526188_100000723842 [0,0,0,0,1,0|1,0,2]=4 834 B16R3.6443 C(=CC1CC1)c2nccc3c2scc3 271570a_100102526188_100000117209 [0,0,0,0,1,0|1,0,2]=4 835 B16R3.6443 C1=Cc2cccc(c2C1)C=CC3CC3 271570a_100102526188_100009844718 [0,0,0,0,1,0|1,0,2]=4 836 B16R3.6443 C1=Cc2cccc(c2C1)SCC3CC3 62a_100000756562_100009844718 [0,0,0,0,1,0|2,0,0]=3 837 B16R3.6443 C1=Cc2cccc(c2C1)SCC3CC3 62a_100009844718_100000742324 [0,0,0,0,1,0|2,0,0]=3 838 B16R3.6443 C1=Cc2cccc(c2C1)SCC3CO3 62a_100009844718_102125554688 [0,0,0,0,1,0|3,0,0]=4 839 B16R3.6443 C1=Cc2cccc(c2C1)SCC3CO3 62a_102125554688_100009844718 [0,0,0,0,1,0|3,0,0]=4 840 B16R3.6443 C1=Cc2cccc(c2C1)SCC3CS3 62a_100000031435_100009844718 [0,0,0,0,1,0|3,0,0]=4 841 B16R3.6443 C1=Cc2cccc(c2C1)SCC3CS3 62a_100009844718_100000031435 [0,0,0,0,1,0|3,0,0]=4 842 B16R3.6443 C1=Cc2cccc(c2C1)SC[C@@H]3CO3 62a_100000745022_100009844718 [0,0,0,0,1,0|3,0,0]=4 843 B16R3.6443 C1=Cc2cccc(c2C1)SC[C@@H]3CO3 62a_100009844718_100000745022 [0,0,0,0,1,0|3,0,0]=4 844 B16R3.6443 c1cc(c2[nH]ccc2c1)SCC3CC3 62a_100000756562_100009813418 [0,0,0,0,1,0|2,0,0]=3 845 B16R3.6443 c1cc(c2[nH]ccc2c1)SCC3CO3 62a_102125554688_100009813418 [0,0,0,0,1,0|3,0,0]=4 846 B16R3.6443 c1cc(c2[nH]ccc2c1)SCC3CS3 62a_100000031435_100009813418 [0,0,0,0,1,0|3,0,0]=4 847 B16R3.6443 c1cc(c2[nH]ccc2c1)SC[C@@H]3CO3 62a_100000745022_100009813418 [0,0,0,0,1,0|3,0,0]=4 848 B16R3.6443 c1cc(c2[nH]ccc2n1)SCC3CC3 62a_100000756562_100000087553 [0,0,0,0,1,0|3,0,0]=4 849 B16R3.6443 c1cc(c2[nH]ncc2c1)CNC3CC3 34a_100000212008_100000099550 [0,0,0,0,1,0|2,0,0]=3 850 B16R3.6443 c1cc(c2[nH]ncc2c1)SCC3CC3 62a_100000756562_100009816125 [0,0,0,0,1,0|3,0,0]=4 851 B16R3.6443 c1cc(c2[nH]ncc2n1)NCC3CC3 27a_100000735609_100000112858 [0,0,0,0,1,0|3,0,0]=4 852 B16R3.6443 c1cc(c2c(c1)OCC2)NCC3CC3 2230a_100000084147_100000742324 [0,0,0,0,1,0|2,0,1]=4 853 B16R3.6443 c1cc(c2c(c1)OCC2)NCC3CC3 34a_100000084147_100000742324 [0,0,0,0,1,0|2,0,1]=4 854 B16R3.6443 c1cc(c2c(c1)OCO2)CNC3CC3 34a_100000743722_100000211595 [0,0,0,0,1,0|1,1,1]=4 855 B16R3.6443 c1cc(c2c(c1)OCO2)NCC3CC3 2230a_100000699912_100000742324 [0,0,0,0,1,0|1,1,1]=4 856 B16R3.6443 c1cc(c2c(c1)OCO2)NCC3CC3 34a_100000699912_100000742324 [0,0,0,0,1,0|1,1,1]=4 857 B16R3.6443 c1cc(c2cc[nH]c2c1)OCC3CC3 34a_100000763377_100000742324 [0,0,0,0,1,0|3,0,0]=4 858 B16R3.6443 c1cc(c2cc[nH]c2c1)SCC3CC3 62a_100000756562_100000685724 [0,0,0,0,1,0|3,0,0]=4 859 B16R3.6443 c1cc(c2ccnn2c1)NCC3CC3 27a_100000735609_100010767162 [0,0,0,0,1,0|3,0,0]=4 860 B16R3.6443 c1cc(c2ccoc2c1)SCC3CC3 62a_100000756562_100000756496 [0,0,0,0,1,0|3,0,0]=4 861 B16R3.6443 c1cc(c2ccsc2c1)NCC3CC3 34a_100020628958_100000742324 [0,0,0,0,1,0|2,0,0]=3 862 B16R3.6443 c1cc(c2ccsc2c1)NCC3CO3 34a_100020628958_102125554688 [0,0,0,0,1,0|3,0,0]=4 863 B16R3.6443 c1cc(c2ccsc2c1)OCC3CC3 34a_100000077759_100000742324 [0,0,0,0,1,0|3,0,0]=4 864 B16R3.6443 c1cc(c2ccsc2c1)OCC3CC3 7a_100000077759_100000742324 [0,0,0,0,1,0|3,0,0]=4 865 B16R3.6443 c1cc(c2ccsc2c1)SCC3CC3 62a_100000756562_100009816950 [0,0,0,0,1,0|3,0,0]=4 866 B16R3.6443 c1cc(c2ccsc2n1)NCC3CC3 27a_100000735609_100009861243 [0,0,0,0,1,0|3,0,0]=4 867 B16R3.6443 c1cc(c2cn[nH]c2c1)CNC3CC3 34a_100000212008_100020636439 [0,0,0,0,1,0|3,0,0]=4 868 B16R3.6443 c1cc(c2nc[nH]c2c1)SCC3CC3 62a_100000756562_100011935113 [0,0,0,0,1,0|3,0,0]=4 869 B16R3.6443 c1cc(c2nc[nH]c2n1)NCC3CC3 27a_100000735609_100009820729 [0,0,0,0,1,0|3,0,0]=4 870 B16R3.6443 c1cc(c2nccn2c1)OCC3CC3 34a_100000068405_100000742324 [0,0,0,0,1,0|3,0,0]=4 871 B16R3.6443 c1cc(c2nccn2c1)OCC3CC3 7a_100000068405_100000742324 [0,0,0,0,1,0|3,0,0]=4 872 B16R3.6443 c1cc(c2nccn2c1)SCC3CC3 62a_100000756562_100011934911 [0,0,0,0,1,0|3,0,0]=4 873 B16R3.6443 c1cc(c2ncnn2c1)NCC3CC3 27a_100000735609_100009819722 [0,0,0,0,1,0|3,0,0]=4 874 B16R3.6443 c1cc(c2ncoc2c1)NCC3CC3 34a_100000717946_100000742324 [0,0,0,0,1,0|2,0,0]=3 875 B16R3.6443 c1cc(c2ncoc2c1)NCC3CO3 34a_100000717946_102125554688 [0,0,0,0,1,0|3,0,0]=4 876 B16R3.6443 c1cc(c2ncoc2c1)SCC3CC3 62a_100000756562_100009816834 [0,0,0,0,1,0|3,0,0]=4 877 B16R3.6443 c1cc(c2ncsc2c1)CNC3CC3 34a_100000212008_100010883896 [0,0,0,0,1,0|2,0,0]=3 878 B16R3.6443 c1cc(c2ncsc2c1)CSC3CC3 62a_100010883896_100000211595 [0,0,0,0,1,0|3,0,0]=4 879 B16R3.6443 c1cc(c2ncsc2c1)OCC3CC3 34a_100000101385_100000742324 [0,0,0,0,1,0|3,0,0]=4 880 B16R3.6443 c1cc(c2ncsc2c1)OCC3CC3 7a_100000101385_100000742324 [0,0,0,0,1,0|3,0,0]=4 881 B16R3.6443 c1cc(c2ncsc2c1)SCC3CC3 62a_100000756562_100000726125 [0,0,0,0,1,0|3,0,0]=4 882 B16R3.6443 c1cc(c2nonc2c1)NCC3CC3 27a_100000735609_100009820244 [0,0,0,0,1,0|3,0,0]=4 883 B16R3.6443 c1cc(c2nsnc2c1)CNC3CC3 34a_100000212008_100000689365 [0,0,0,0,1,0|3,0,0]=4 884 B16R3.6443 c1cc(c2nsnc2c1)NCC3CC3 27a_100000735609_100000742359 [0,0,0,0,1,0|3,0,0]=4 885 B16R3.6443 c1cc(c2occc2c1)SCC3CC3 62a_100000756562_100011935138 [0,0,0,0,1,0|1,1,0]=3 886 B16R3.6443 c1cc(c2occc2c1)SCC3CO3 62a_102125554688_100011935138 [0,0,0,0,1,0|2,1,0]=4 887 B16R3.6443 c1cc(c2occc2c1)SCC3CS3 62a_100000031435_100011935138 [0,0,0,0,1,0|2,1,0]=4 888 B16R3.6443 c1cc(c2occc2c1)SC[C@@H]3CO3 62a_100000745022_100011935138 [0,0,0,0,1,0|2,1,0]=4 889 B16R3.6443 c1cc(c2occc2n1)SCC3CC3 62a_100000756562_100009853057 [0,0,0,0,1,0|2,1,0]=4 890 B16R3.6443 c1cc(c2ocnc2c1)SCC3CC3 62a_100000756562_100000728214 [0,0,0,0,1,0|2,1,0]=4 891 B16R3.6443 c1cc(c2oncc2c1)SCC3CC3 62a_100000756562_100000765530 [0,0,0,0,1,0|2,1,0]=4 892 B16R3.6443 c1cc(c2sccc2c1)CNC3CC3 34a_100000212008_100009816938 [0,0,0,0,1,0|0,0,0]=1 893 B16R3.6443 c1cc(c2sccc2c1)SCC3CC3 62a_100000756562_100000766737 [0,0,0,0,1,0|1,0,0]=2 894 B16R3.6443 c1cc(c2sccc2c1)SCC3CO3 62a_102125554688_100000766737 [0,0,0,0,1,0|2,0,0]=3 895 B16R3.6443 c1cc(c2sccc2c1)SCC3CS3 62a_100000031435_100000766737 [0,0,0,0,1,0|2,0,0]=3 896 B16R3.6443 c1cc(c2sccc2c1)SC[C@@H]3CO3 62a_100000745022_100000766737 [0,0,0,0,1,0|2,0,0]=3 897 B16R3.6443 c1cc(c2sccc2n1)NCC3CC3 27a_100000735609_100000764135 [0,0,0,0,1,0|1,0,0]=2 898 B16R3.6443 c1cc(c2sccc2n1)OCC3CC3 34a_100000759877_100000742324 [0,0,0,0,1,0|2,0,0]=3 899 B16R3.6443 c1cc(c2sccc2n1)OCC3CO3 34a_100000759877_102125554688 [0,0,0,0,1,0|3,0,0]=4 900 B16R3.6443 c1cc(c2sccc2n1)SCC3CC3 62a_100000756562_100000764135 [0,0,0,0,1,0|2,0,0]=3 901 B16R3.6443 c1cc(c2sccc2n1)SCC3CO3 62a_102125554688_100000764135 [0,0,0,0,1,0|3,0,0]=4 902 B16R3.6443 c1cc(c2sccc2n1)SCC3CS3 62a_100000031435_100000764135 [0,0,0,0,1,0|3,0,0]=4 903 B16R3.6443 c1cc(c2sccc2n1)SC[C@@H]3CO3 62a_100000745022_100000764135 [0,0,0,0,1,0|3,0,0]=4 904 B16R3.6443 c1cc(c2scnc2c1)NCC3CC3 34a_100000099145_100000742324 [0,0,0,0,1,0|1,0,0]=2 905 B16R3.6443 c1cc(c2scnc2c1)NCC3CO3 34a_100000099145_102125554688 [0,0,0,0,1,0|2,0,0]=3 906 B16R3.6443 c1cc(c2scnc2c1)SCC3CC3 62a_100000756562_100010246326 [0,0,0,0,1,0|2,0,0]=3 907 B16R3.6443 c1cc(c2scnc2c1)SCC3CO3 62a_102125554688_100010246326 [0,0,0,0,1,0|3,0,0]=4 908 B16R3.6443 c1cc(c2scnc2c1)SCC3CS3 62a_100000031435_100010246326 [0,0,0,0,1,0|3,0,0]=4 909 B16R3.6443 c1cc(c2scnc2c1)SC[C@@H]3CO3 62a_100000745022_100010246326 [0,0,0,0,1,0|3,0,0]=4 910 B16R3.6443 c1cc(n2ccnc2c1)CNC3CC3 34a_100000212008_200020640960 [0,0,0,0,1,0|3,0,0]=4 911 B16R3.6443 c1cc(n2nccc2c1)SCC3CC3 62a_100000756562_100009817731 [0,0,0,0,1,0|3,0,0]=4 912 B16R3.6443 c1cc(n2nccc2n1)NCC3CC3 27a_100000735609_100000080991 [0,0,0,0,1,0|3,0,0]=4 913 B16R3.6443 c1cc(n2ncnc2c1)NCC3CC3 27a_100000735609_100009819724 [0,0,0,0,1,0|3,0,0]=4 914 B16R3.6443 c1cc2c(c(c1)CNC3CC3)OCC2 34a_200000703977_100000211595 [0,0,0,0,1,0|0,1,2]=4 915 B16R3.6443 c1cc2c(c(c1)NCC3CC3)CCC2 2230a_100000043548_100000742324 [0,0,0,0,1,0|1,0,2]=4 916 B16R3.6443 c1cc2c(c(c1)NCC3CC3)CCC2 34a_100000043548_100000742324 [0,0,0,0,1,0|1,0,2]=4 917 B16R3.6443 c1cc2c(c(c1)NCC3CC3)COC2 2230a_100000125316_100000742324 [0,0,0,0,1,0|2,0,1]=4 918 B16R3.6443 c1cc2c(c(c1)NCC3CC3)COC2 34a_100000125316_100000742324 [0,0,0,0,1,0|2,0,1]=4 919 B16R3.6443 c1cc2c(c(c1)NCC3CC3)OCC2 2230a_100000102157_100000742324 [0,0,0,0,1,0|0,1,2]=4 920 B16R3.6443 c1cc2c(c(c1)NCC3CC3)OCC2 34a_100000102157_100000742324 [0,0,0,0,1,0|0,1,2]=4 921 B16R3.6443 c1cc2c(nccn2c1)NCC3CC3 27a_100000735609_100000094558 [0,0,0,0,1,0|3,0,0]=4 922 B16R3.6443 c1cc2cc[nH]c2c(n1)SCC3CC3 62a_100000756562_100000060748 [0,0,0,0,1,0|3,0,0]=4 923 B16R3.6443 c1cc2ccsc2c(n1)NCC3CC3 27a_100000735609_100000117209 [0,0,0,0,1,0|1,0,0]=2 924 B16R3.6443 c1cc2ccsc2c(n1)SCC3CC3 62a_100000756562_100000117209 [0,0,0,0,1,0|2,0,0]=3 925 B16R3.6443 c1cc2ccsc2c(n1)SCC3CO3 62a_102125554688_100000117209 [0,0,0,0,1,0|3,0,0]=4 926 B16R3.6443 c1cc2ccsc2c(n1)SCC3CS3 62a_100000031435_100000117209 [0,0,0,0,1,0|3,0,0]=4 927 B16R3.6443 c1cc2ccsc2c(n1)SC[C@@H]3CO3 62a_100000745022_100000117209 [0,0,0,0,1,0|3,0,0]=4 928 B16R3.6443 c1cc2cn[nH]c2c(n1)NCC3CC3 27a_100000735609_100009852419 [0,0,0,0,1,0|3,0,0]=4 929 B16R3.6443 c1cc2cncc(c2[nH]1)SCC3CC3 62a_100000756562_100000217057 [0,0,0,0,1,0|3,0,0]=4 930 B16R3.6443 c1cc2occc2c(n1)NCC3CC3 27a_100000735609_100000041166 [0,0,0,0,1,0|3,0,0]=4 931 B16R3.6443 c1cc2sccc2c(n1)NCC3CC3 27a_100000735609_100000047778 [0,0,0,0,1,0|3,0,0]=4 932 B16R3.6443 c1cn2ccnc2c(n1)NCC3CC3 27a_100000735609_102495338505 [0,0,0,0,1,0|3,0,0]=4 933 B16R3.6443 c1nc(c2[nH]ccc2n1)NCC3CC3 27a_100000735609_100000084117 [0,0,0,0,1,0|3,0,0]=4 934 B16R3.6443 c1nc(c2sccc2n1)NCC3CC3 27a_100000735609_100000234879 [0,0,0,0,1,0|2,0,0]=3 935 B16R3.6443 c1nc(c2sccc2n1)SCC3CC3 62a_100000756562_100000234879 [0,0,0,0,1,0|3,0,0]=4 936 B16R3.275777 c1cc2c(s1)C(=NNCC3CC3)CC2 4a_100000736359_100000080523 [0,0,0,0,1,0|1,0,2]=4 937 B16R3.275777 c1cc2scc(c2s1)SCCC3CC3 62a_100000764125_100009817191 [0,0,0,0,1,0|3,0,0]=4 938 B18R3.2175 C1=CCc2c(cccc2OCCC3CC3)C1 34a_100000074931_100000694398 [0,0,0,0,0,1|3,0,0]=4 939 B18R3.2175 C1=CCc2c(cccc2OCCC3CC3)C1 7a_100000074931_100000764125 [0,0,0,0,0,1|3,0,0]=4 940 B18R3.2175 c1cc(c2c(c1)OCCO2)CNCC3CC3 207a_100000735609_100000741003 [0,0,0,0,0,1|0,1,2]=4 941 B18R3.2175 c1cc(c2c(c1)OCCO2)CNCC3CC3 2230a_100000735609_100011740630 [0,0,0,0,0,1|0,1,2]=4 942 B18R3.2175 c1cc(c2c(c1)OCCO2)CNCC3CC3 2230a_100000750247_100000742324 [0,0,0,0,0,1|0,1,2]=4 943 B18R3.2175 c1cc(c2c(c1)OCCO2)CNCC3CC3 269862a_100000750247_100000741477 [0,0,0,0,0,1|0,1,2]=4 944 B18R3.2175 c1cc(c2c(c1)OCCO2)CNCC3CC3 270004a_100000735609_100000741003 [0,0,0,0,0,1|0,1,2]=4 945 B18R3.2175 c1cc(c2c(c1)OCCO2)CNCC3CC3 34a_100000735609_100011740630 [0,0,0,0,0,1|0,1,2]=4 946 B18R3.2175 c1cc(c2c(c1)OCCO2)CNCC3CC3 34a_100000750247_100000742324 [0,0,0,0,0,1|0,1,2]=4 947 B18R3.2175 c1cc(c2cccnc2c1)CNCC3CC3 207a_100000735609_100000708479 [0,0,0,0,0,1|1,0,0]=2 948 B18R3.2175 c1cc(c2cccnc2c1)CNCC3CC3 269862a_100020628785_100000741477 [0,0,0,0,0,1|1,0,0]=2 949 B18R3.2175 c1cc(c2cccnc2c1)CNCC3CC3 270004a_100000735609_100000708479 [0,0,0,0,0,1|1,0,0]=2 950 B18R3.2175 c1cc(c2cccnc2c1)COCC3CC3 34a_100000709871_100000742324 [0,0,0,0,0,1|2,0,0]=3 951 B18R3.2175 c1cc(c2cccnc2c1)COCC3CO3 34a_100000709871_102125554688 [0,0,0,0,0,1|3,0,0]=4 952 B18R3.2175 c1cc(c2cccnc2c1)NCCC3CC3 27a_100000764129_100011290932 [0,0,0,0,0,1|3,0,0]=4 953 B18R3.2175 c1cc(c2cccnc2c1)NCCC3CC3 34a_100000183906_100000694398 [0,0,0,0,0,1|3,0,0]=4 954 B18R3.2175 c1cc(c2cccnc2c1)OCCC3CC3 34a_100011197808_100000694398 [0,0,0,0,0,1|3,0,0]=4 955 B18R3.2175 c1cc(c2cccnc2c1)SCCC3CC3 62a_100000764125_100011290932 [0,0,0,0,0,1|3,0,0]=4 956 B18R3.2175 c1cc(c2cccnc2c1)SCCC3CC3 62a_100011290932_100000764125 [0,0,0,0,0,1|3,0,0]=4 957 B18R3.2175 c1cc(c2ccncc2c1)CNCC3CC3 207a_100000735609_100000750165 [0,0,0,0,0,1|1,0,0]=2 958 B18R3.2175 c1cc(c2ccncc2c1)CNCC3CC3 2230a_100000735609_100016989825 [0,0,0,0,0,1|1,0,0]=2 959 B18R3.2175 c1cc(c2ccncc2c1)CNCC3CC3 269862a_100011757365_100000741477 [0,0,0,0,0,1|1,0,0]=2 960 B18R3.2175 c1cc(c2ccncc2c1)CNCC3CC3 270004a_100000735609_100000750165 [0,0,0,0,0,1|1,0,0]=2 961 B18R3.2175 c1cc(c2ccncc2c1)CNCC3CC3 34a_100000735609_100016989825 [0,0,0,0,0,1|1,0,0]=2 962 B18R3.2175 c1cc(c2ccncc2c1)COCC3CC3 34a_100000211283_100016989825 [0,0,0,0,0,1|2,0,0]=3 963 B18R3.2175 c1cc(c2ccncc2c1)COC[C@@H]3CO3 34a_100000757423_100016989825 [0,0,0,0,0,1|3,0,0]=4 964 B18R3.2175 c1cc(c2ccncc2c1)CSCC3CC3 62a_100000756562_100016989825 [0,0,0,0,0,1|2,0,0]=3 965 B18R3.2175 c1cc(c2ccncc2c1)CSCC3CC3 62a_100016989825_100000742324 [0,0,0,0,0,1|2,0,0]=3 966 B18R3.2175 c1cc(c2ccncc2c1)CSCC3CO3 62a_100016989825_102125554688 [0,0,0,0,0,1|3,0,0]=4 967 B18R3.2175 c1cc(c2ccncc2c1)CSCC3CO3 62a_102125554688_100016989825 [0,0,0,0,0,1|3,0,0]=4 968 B18R3.2175 c1cc(c2ccncc2c1)CSCC3CS3 62a_100000031435_100016989825 [0,0,0,0,0,1|3,0,0]=4 969 B18R3.2175 c1cc(c2ccncc2c1)CSCC3CS3 62a_100016989825_100000031435 [0,0,0,0,0,1|3,0,0]=4 970 B18R3.2175 c1cc(c2ccncc2c1)CSC[C@@H]3CO3 62a_100000745022_100016989825 [0,0,0,0,0,1|3,0,0]=4 971 B18R3.2175 c1cc(c2ccncc2c1)CSC[C@@H]3CO3 62a_100016989825_100000745022 [0,0,0,0,0,1|3,0,0]=4 972 B18R3.2175 c1cc(c2ccncc2c1)OCCC3CC3 34a_100011218533_100000694398 [0,0,0,0,0,1|3,0,0]=4 973 B18R3.2175 c1cc(c2ccncc2c1)SCCC3CC3 62a_100000186358_100000764125 [0,0,0,0,0,1|3,0,0]=4 974 B18R3.2175 c1cc(c2ccncc2c1)SCCC3CC3 62a_100000764125_100000186358 [0,0,0,0,0,1|3,0,0]=4 975 B18R3.2175 c1cc(c2cnccc2c1)CNCC3CC3 207a_100000735609_100011934574 [0,0,0,0,0,1|1,0,0]=2 976 B18R3.2175 c1cc(c2cnccc2c1)CNCC3CC3 270004a_100000735609_100011934574 [0,0,0,0,0,1|1,0,0]=2 977 B18R3.2175 c1cc(c2cnccc2c1)OCCC3CC3 34a_103624766955_100000694398 [0,0,0,0,0,1|3,0,0]=4 978 B18R3.2175 c1cc(c2cnccc2c1)SCCC3CC3 62a_100000685578_100000764125 [0,0,0,0,0,1|3,0,0]=4 979 B18R3.2175 c1cc(c2cnccc2c1)SCCC3CC3 62a_100000764125_100000685578 [0,0,0,0,0,1|3,0,0]=4 980 B18R3.2175 c1cc(c2nccnc2c1)CNCC3CC3 269862a_100012184304_100000741477 [0,0,0,0,0,1|1,0,0]=2 981 B18R3.2175 c1cc(c2nccnc2c1)CNCC3CC3 270004a_100000735609_100011996249 [0,0,0,0,0,1|1,0,0]=2 982 B18R3.2175 c1cc(c2nccnc2c1)NCCC3CC3 27a_100000764129_100010003881 [0,0,0,0,0,1|3,0,0]=4 983 B18R3.2175 c1cc(c2nccnc2c1)OCCC3CC3 34a_100000077048_100000694398 [0,0,0,0,0,1|3,0,0]=4 984 B18R3.2175 c1cc(c2nccnc2c1)SCCC3CC3 62a_100000764125_100010003881 [0,0,0,0,0,1|3,0,0]=4 985 B18R3.2175 c1cc(c2nccnc2c1)SCCC3CC3 62a_100010003881_100000764125 [0,0,0,0,0,1|3,0,0]=4 986 B18R3.2175 c1cc(c2ncncc2c1)NCCC3CC3 27a_100000764129_100010246313 [0,0,0,0,0,1|3,0,0]=4 987 B18R3.2175 c1cc(c2ncncc2c1)OCCC3CC3 34a_200000077003_100000694398 [0,0,0,0,0,1|3,0,0]=4 988 B18R3.2175 c1cc(c2ncncc2c1)SCCC3CC3 62a_100000764125_100010246313 [0,0,0,0,0,1|3,0,0]=4 989 B18R3.2175 c1cc(c2ncncc2c1)SCCC3CC3 62a_100010246313_100000764125 [0,0,0,0,0,1|3,0,0]=4 990 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)CCCC2 207a_100000735609_100009879127 [0,0,0,0,0,1|1,0,2]=4 991 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)CCCC2 2230a_100000735609_100010203544 [0,0,0,0,0,1|1,0,2]=4 992 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)CCCC2 270004a_100000735609_100009879127 [0,0,0,0,0,1|1,0,2]=4 993 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)CCCC2 34a_100000735609_100010203544 [0,0,0,0,0,1|1,0,2]=4 994 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)OCCC2 207a_100000735609_100012017339 [0,0,0,0,0,1|0,1,2]=4 995 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)OCCC2 2230a_106744500175_100000742324 [0,0,0,0,0,1|0,1,2]=4 996 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)OCCC2 269862a_106744500175_100000741477 [0,0,0,0,0,1|0,1,2]=4 997 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)OCCC2 270004a_100000735609_100012017339 [0,0,0,0,0,1|0,1,2]=4 998 B18R3.2175 c1cc2c(c(c1)CNCC3CC3)OCCC2 34a_106744500175_100000742324 [0,0,0,0,0,1|0,1,2]=4 999 B18R3.2175 c1ccc2c(cccc2c1)CCNC3CC3 34a_100000212008_100011290781 [0,0,0,0,0,1|3,0,0]=4 1000 B18R3.2175 c1ccc2c(cccc2c1)CCNC3CC3 34a_100000751862_100000211595 [0,0,0,0,0,1|3,0,0]=4 1001 B18R3.2175 c1ccc2c(cccc2c1)CCOC3CC3 34a_100011219628_100000211595 [0,0,0,0,0,1|3,0,0]=4 1002 B18R3.2175 c1ccc2c(cccc2c1)CCSC3CC3 62a_100011290781_100000211595 [0,0,0,0,0,1|3,0,0]=4 1003 B18R3.2175 c1ccc2c(cccc2c1)CNCC3CC3 207a_100000735609_100000210074 [0,0,0,0,0,1|1,0,0]=2 1004 B18R3.2175 c1ccc2c(cccc2c1)CNCC3CC3 2230a_100000735609_100011261445 [0,0,0,0,0,1|1,0,0]=2 1005 B18R3.2175 c1ccc2c(cccc2c1)CNCC3CC3 269862a_100000753325_100000741477 [0,0,0,0,0,1|1,0,0]=2 1006 B18R3.2175 c1ccc2c(cccc2c1)CNCC3CC3 270004a_100000735609_100000210074 [0,0,0,0,0,1|1,0,0]=2 1007 B18R3.2175 c1ccc2c(cccc2c1)CNCC3CC3 34a_100000735609_100011261445 [0,0,0,0,0,1|1,0,0]=2 1008 B18R3.2175 c1ccc2c(cccc2c1)CNCC3CC3 34a_100000753325_100000742324 [0,0,0,0,0,1|1,0,0]=2 1009 B18R3.2175 c1ccc2c(cccc2c1)CNCC3CO3 34a_100000753325_102125554688 [0,0,0,0,0,1|2,0,0]=3 1010 B18R3.2175 c1ccc2c(cccc2c1)COCC3CC3 34a_100000211283_100011261445 [0,0,0,0,0,1|2,0,0]=3 1011 B18R3.2175 c1ccc2c(cccc2c1)COCC3CC3 34a_100011216843_100000742324 [0,0,0,0,0,1|2,0,0]=3 1012 B18R3.2175 c1ccc2c(cccc2c1)COCC3CC3 7a_100011216843_100000742324 [0,0,0,0,0,1|2,0,0]=3 1013 B18R3.2175 c1ccc2c(cccc2c1)COCC3CO3 34a_100011216843_102125554688 [0,0,0,0,0,1|3,0,0]=4 1014 B18R3.2175 c1ccc2c(cccc2c1)COCC3CO3 7a_100011216843_102125554688 [0,0,0,0,0,1|3,0,0]=4 1015 B18R3.2175 c1ccc2c(cccc2c1)COCC3CS3 7a_100011216843_100000031435 [0,0,0,0,0,1|3,0,0]=4 1016 B18R3.2175 c1ccc2c(cccc2c1)COC[C@@H]3CO3 34a_100000757423_100011261445 [0,0,0,0,0,1|3,0,0]=4 1017 B18R3.2175 c1ccc2c(cccc2c1)COC[C@@H]3CO3 7a_100011216843_100000745022 [0,0,0,0,0,1|3,0,0]=4 1018 B18R3.2175 c1ccc2c(cccc2c1)CSCC3CC3 62a_100000756562_100000188474 [0,0,0,0,0,1|2,0,0]=3 1019 B18R3.2175 c1ccc2c(cccc2c1)CSCC3CC3 62a_100011261445_100000742324 [0,0,0,0,0,1|2,0,0]=3 1020 B18R3.2175 c1ccc2c(cccc2c1)CSCC3CO3 62a_100011261445_102125554688 [0,0,0,0,0,1|3,0,0]=4 1021 B18R3.2175 c1ccc2c(cccc2c1)CSCC3CO3 62a_102125554688_100000188474 [0,0,0,0,0,1|3,0,0]=4 1022 B18R3.2175 c1ccc2c(cccc2c1)CSCC3CS3 62a_100000031435_100000188474 [0,0,0,0,0,1|3,0,0]=4 1023 B18R3.2175 c1ccc2c(cccc2c1)CSCC3CS3 62a_100011261445_100000031435 [0,0,0,0,0,1|3,0,0]=4 1024 B18R3.2175 c1ccc2c(cccc2c1)CSC[C@@H]3CO3 62a_100000745022_100000188474 [0,0,0,0,0,1|3,0,0]=4 1025 B18R3.2175 c1ccc2c(cccc2c1)CSC[C@@H]3CO3 62a_100011261445_100000745022 [0,0,0,0,0,1|3,0,0]=4 1026 B18R3.2175 c1ccc2c(cccc2c1)NCCC3CC3 34a_100000185869_100000694398 [0,0,0,0,0,1|3,0,0]=4 1027 B18R3.2175 c1ccc2c(cccc2c1)OCCC3CC3 34a_100000210388_100000694398 [0,0,0,0,0,1|3,0,0]=4 1028 B18R3.2175 c1ccc2c(cccc2c1)OCCC3CC3 7a_100000210388_100000764125 [0,0,0,0,0,1|3,0,0]=4 1029 B18R3.2175 c1ccc2c(cccc2c1)SCCC3CC3 62a_100000764125_100000210605 [0,0,0,0,0,1|3,0,0]=4 1030 B18R3.2175 c1ccc2c(ccnc2c1)CNCC3CC3 2230a_100000735609_100015192512 [0,0,0,0,0,1|2,0,0]=3 1031 B18R3.2175 c1ccc2c(ccnc2c1)CNCC3CC3 269862a_100015187208_100000741477 [0,0,0,0,0,1|2,0,0]=3 1032 B18R3.2175 c1ccc2c(ccnc2c1)CNCC3CC3 34a_100000735609_100015192512 [0,0,0,0,0,1|2,0,0]=3 1033 B18R3.2175 c1ccc2c(ccnc2c1)COCC3CC3 34a_100000211283_100015192512 [0,0,0,0,0,1|3,0,0]=4 1034 B18R3.2175 c1ccc2c(ccnc2c1)CSCC3CC3 62a_100000756562_100015192512 [0,0,0,0,0,1|3,0,0]=4 1035 B18R3.2175 c1ccc2c(ccnc2c1)CSCC3CC3 62a_100015192512_100000742324 [0,0,0,0,0,1|3,0,0]=4 1036 B18R3.2175 c1ccc2c(cncc2c1)CNCC3CC3 207a_100000735609_100000684730 [0,0,0,0,0,1|2,0,0]=3 1037 B18R3.2175 c1ccc2c(cncc2c1)CNCC3CC3 270004a_100000735609_100000684730 [0,0,0,0,0,1|2,0,0]=3 1038 B18R3.2175 c1ccc2c(nccc2c1)CNCC3CC3 207a_100000735609_100011361464 [0,0,0,0,0,1|2,0,0]=3 1039 B18R3.2175 c1ccc2c(nccc2c1)CNCC3CC3 2230a_100000735609_100000033776 [0,0,0,0,0,1|2,0,0]=3 1040 B18R3.2175 c1ccc2c(nccc2c1)CNCC3CC3 270004a_100000735609_100011361464 [0,0,0,0,0,1|2,0,0]=3 1041 B18R3.2175 c1ccc2c(nccc2c1)CNCC3CC3 34a_100000735609_100000033776 [0,0,0,0,0,1|2,0,0]=3 1042 B18R3.2175 c1ccc2c(nccc2c1)COCC3CC3 34a_100000211283_100000033776 [0,0,0,0,0,1|3,0,0]=4 1043 B18R3.2175 c1ccc2c(nccc2c1)CSCC3CC3 62a_100000033776_100000742324 [0,0,0,0,0,1|3,0,0]=4 1044 B18R3.2175 c1ccc2c(nccc2c1)CSCC3CC3 62a_100000756562_100000033776 [0,0,0,0,0,1|3,0,0]=4 1045 B18R3.2175 c1cnc2c(cccc2c1)CNCC3CC3 207a_100000735609_100000239888 [0,0,0,0,0,1|1,0,0]=2 1046 B18R3.2175 c1cnc2c(cccc2c1)CNCC3CC3 2230a_100000735609_100000241032 [0,0,0,0,0,1|1,0,0]=2 1047 B18R3.2175 c1cnc2c(cccc2c1)CNCC3CC3 269862a_100011195829_100000741477 [0,0,0,0,0,1|1,0,0]=2 1048 B18R3.2175 c1cnc2c(cccc2c1)CNCC3CC3 270004a_100000735609_100000239888 [0,0,0,0,0,1|1,0,0]=2 1049 B18R3.2175 c1cnc2c(cccc2c1)CNCC3CC3 34a_100000735609_100000241032 [0,0,0,0,0,1|1,0,0]=2 1050 B18R3.2175 c1cnc2c(cccc2c1)COCC3CC3 34a_100000211283_100000241032 [0,0,0,0,0,1|2,0,0]=3 1051 B18R3.2175 c1cnc2c(cccc2c1)COCC3CC3 34a_100011303629_100000742324 [0,0,0,0,0,1|2,0,0]=3 1052 B18R3.2175 c1cnc2c(cccc2c1)COCC3CO3 34a_100011303629_102125554688 [0,0,0,0,0,1|3,0,0]=4 1053 B18R3.2175 c1cnc2c(cccc2c1)COC[C@@H]3CO3 34a_100000757423_100000241032 [0,0,0,0,0,1|3,0,0]=4 1054 B18R3.2175 c1cnc2c(cccc2c1)CSCC3CC3 62a_100000756562_100000241032 [0,0,0,0,0,1|2,0,0]=3 1055 B18R3.2175 c1cnc2c(cccc2c1)CSCC3CO3 62a_102125554688_100000241032 [0,0,0,0,0,1|3,0,0]=4 1056 B18R3.2175 c1cnc2c(cccc2c1)CSCC3CS3 62a_100000031435_100000241032 [0,0,0,0,0,1|3,0,0]=4 1057 B18R3.2175 c1cnc2c(cccc2c1)CSC[C@@H]3CO3 62a_100000745022_100000241032 [0,0,0,0,0,1|3,0,0]=4 1058 B18R3.2175 c1cnc2c(cccc2c1)NCCC3CC3 34a_100000181377_100000694398 [0,0,0,0,0,1|3,0,0]=4 1059 B18R3.2175 c1cnc2c(cccc2c1)OCCC3CC3 34a_100000056035_100000694398 [0,0,0,0,0,1|3,0,0]=4 1060 B18R3.2175 c1cnc2c(cccc2c1)SCCC3CC3 62a_100000764125_100011215545 [0,0,0,0,0,1|3,0,0]=4 1061 B18R3.36498 C(=NNC1CCC1)c2cccc3c2scc3 4a_100000736358_100011934923 [0,0,0,0,0,1|1,0,2]=4 1062 B18R3.36498 C(=NNC1COC1)c2cccc3c2scc3 4a_100015188821_100011934923 [0,0,0,0,0,1|1,0,2]=4 1063 B18R3.36498 c1cc(c2[nH]ccc2c1)CNCC3CCC3 207a_100000738700_100000750900 [0,0,0,0,0,1|1,0,0]=2 1064 B18R3.36498 c1cc(c2[nH]ccc2c1)CNCC3CCC3 270004a_100000738700_100000750900 [0,0,0,0,0,1|1,0,0]=2 1065 B18R3.36498 c1cc(c2[nH]ccc2c1)CNCC3COC3 207a_100015281925_100000750900 [0,0,0,0,0,1|1,0,0]=2 1066 B18R3.36498 c1cc(c2[nH]ccc2c1)CNCC3COC3 270004a_100015281925_100000750900 [0,0,0,0,0,1|1,0,0]=2 1067 B18R3.36498 c1cc(c2[nH]ccc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000750900 [0,0,0,0,0,1|1,0,0]=2 1068 B18R3.36498 c1cc(c2[nH]ccc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000750900 [0,0,0,0,0,1|1,0,0]=2 1069 B18R3.36498 c1cc(c2[nH]cnc2c1)CNCC3CCC3 207a_100000738700_100000100021 [0,0,0,0,0,1|2,0,0]=3 1070 B18R3.36498 c1cc(c2[nH]cnc2c1)CNCC3CCC3 270004a_100000738700_100000100021 [0,0,0,0,0,1|2,0,0]=3 1071 B18R3.36498 c1cc(c2[nH]cnc2c1)CNCC3COC3 207a_100015281925_100000100021 [0,0,0,0,0,1|2,0,0]=3 1072 B18R3.36498 c1cc(c2[nH]cnc2c1)CNCC3COC3 270004a_100015281925_100000100021 [0,0,0,0,0,1|2,0,0]=3 1073 B18R3.36498 c1cc(c2[nH]cnc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000100021 [0,0,0,0,0,1|2,0,0]=3 1074 B18R3.36498 c1cc(c2[nH]cnc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000100021 [0,0,0,0,0,1|2,0,0]=3 1075 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3CCC3 207a_100000738700_100000068382 [0,0,0,0,0,1|2,0,0]=3 1076 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3CCC3 2230a_100000738700_100000099550 [0,0,0,0,0,1|2,0,0]=3 1077 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3CCC3 269862a_100000099547_100000753134 [0,0,0,0,0,1|2,0,0]=3 1078 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3CCC3 270004a_100000738700_100000068382 [0,0,0,0,0,1|2,0,0]=3 1079 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3CCC3 34a_100000738700_100000099550 [0,0,0,0,0,1|2,0,0]=3 1080 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3COC3 207a_100015281925_100000068382 [0,0,0,0,0,1|2,0,0]=3 1081 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3COC3 2230a_100015281925_100000099550 [0,0,0,0,0,1|2,0,0]=3 1082 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3COC3 270004a_100015281925_100000068382 [0,0,0,0,0,1|2,0,0]=3 1083 B18R3.36498 c1cc(c2[nH]ncc2c1)CNCC3COC3 34a_100015281925_100000099550 [0,0,0,0,0,1|2,0,0]=3 1084 B18R3.36498 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000068382 [0,0,0,0,0,1|2,0,0]=3 1085 B18R3.36498 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100000099550 [0,0,0,0,0,1|2,0,0]=3 1086 B18R3.36498 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000068382 [0,0,0,0,0,1|2,0,0]=3 1087 B18R3.36498 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCO3 34a_100020831831_100000099550 [0,0,0,0,0,1|2,0,0]=3 1088 B18R3.36498 c1cc(c2[nH]ncc2c1)COCC3CCC3 34a_100000760304_100000099550 [0,0,0,0,0,1|3,0,0]=4 1089 B18R3.36498 c1cc(c2[nH]ncc2c1)COCC3CCO3 34a_100000039022_100000099550 [0,0,0,0,0,1|3,0,0]=4 1090 B18R3.36498 c1cc(c2[nH]ncc2c1)COCC3CNC3 34a_100016987283_100000099550 [0,0,0,0,0,1|3,0,0]=4 1091 B18R3.36498 c1cc(c2[nH]ncc2c1)COCC3COC3 34a_100000060846_100000099550 [0,0,0,0,0,1|3,0,0]=4 1092 B18R3.36498 c1cc(c2[nH]ncc2c1)CSCC3CCC3 62a_100000763275_100000099550 [0,0,0,0,0,1|3,0,0]=4 1093 B18R3.36498 c1cc(c2[nH]ncc2c1)CSCC3CCO3 62a_100000103362_100000099550 [0,0,0,0,0,1|3,0,0]=4 1094 B18R3.36498 c1cc(c2[nH]ncc2c1)CSCC3COC3 62a_100010264016_100000099550 [0,0,0,0,0,1|3,0,0]=4 1095 B18R3.36498 c1cc(c2c(c1)OCC2)CNCC3CCC3 207a_100000738700_100000045544 [0,0,0,0,0,1|2,0,1]=4 1096 B18R3.36498 c1cc(c2c(c1)OCC2)CNCC3CCC3 270004a_100000738700_100000045544 [0,0,0,0,0,1|2,0,1]=4 1097 B18R3.36498 c1cc(c2c(c1)OCC2)CNCC3COC3 207a_100015281925_100000045544 [0,0,0,0,0,1|2,0,1]=4 1098 B18R3.36498 c1cc(c2c(c1)OCC2)CNCC3COC3 270004a_100015281925_100000045544 [0,0,0,0,0,1|2,0,1]=4 1099 B18R3.36498 c1cc(c2c(c1)OCC2)CNC[C@@H]3CCO3 207a_100020831831_100000045544 [0,0,0,0,0,1|2,0,1]=4 1100 B18R3.36498 c1cc(c2c(c1)OCC2)CNC[C@@H]3CCO3 270004a_100020831831_100000045544 [0,0,0,0,0,1|2,0,1]=4 1101 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3CCC3 207a_100000738700_100000028116 [0,0,0,0,0,1|1,1,1]=4 1102 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3CCC3 2230a_100000743722_100000763275 [0,0,0,0,0,1|1,1,1]=4 1103 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3CCC3 269862a_100000743722_100000753134 [0,0,0,0,0,1|1,1,1]=4 1104 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3CCC3 34a_100000743722_100000763275 [0,0,0,0,0,1|1,1,1]=4 1105 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3CCO3 2230a_100000743722_100000103362 [0,0,0,0,0,1|1,1,1]=4 1106 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3CCO3 34a_100000743722_100000103362 [0,0,0,0,0,1|1,1,1]=4 1107 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3COC3 207a_100015281925_100000028116 [0,0,0,0,0,1|1,1,1]=4 1108 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3COC3 2230a_100000743722_100010264016 [0,0,0,0,0,1|1,1,1]=4 1109 B18R3.36498 c1cc(c2c(c1)OCO2)CNCC3COC3 34a_100000743722_100010264016 [0,0,0,0,0,1|1,1,1]=4 1110 B18R3.36498 c1cc(c2c(c1)OCO2)CNC[C@@H]3CCO3 207a_100020831831_100000028116 [0,0,0,0,0,1|1,1,1]=4 1111 B18R3.36498 c1cc(c2cc[nH]c2c1)CNCC3CCC3 207a_100000738700_100000750904 [0,0,0,0,0,1|2,0,0]=3 1112 B18R3.36498 c1cc(c2cc[nH]c2c1)CNCC3CCC3 269862a_100011912549_100000753134 [0,0,0,0,0,1|2,0,0]=3 1113 B18R3.36498 c1cc(c2cc[nH]c2c1)CNCC3COC3 207a_100015281925_100000750904 [0,0,0,0,0,1|2,0,0]=3 1114 B18R3.36498 c1cc(c2cc[nH]c2c1)CNC[C@@H]3CCO3 207a_100020831831_100000750904 [0,0,0,0,0,1|2,0,0]=3 1115 B18R3.36498 c1cc(c2ccsc2c1)CNCC3CCC3 207a_100000738700_100009860987 [0,0,0,0,0,1|2,0,0]=3 1116 B18R3.36498 c1cc(c2ccsc2c1)CNCC3CCC3 270004a_100000738700_100009860987 [0,0,0,0,0,1|2,0,0]=3 1117 B18R3.36498 c1cc(c2ccsc2c1)CNCC3COC3 207a_100015281925_100009860987 [0,0,0,0,0,1|2,0,0]=3 1118 B18R3.36498 c1cc(c2ccsc2c1)CNCC3COC3 270004a_100015281925_100009860987 [0,0,0,0,0,1|2,0,0]=3 1119 B18R3.36498 c1cc(c2ccsc2c1)CNC[C@@H]3CCO3 207a_100020831831_100009860987 [0,0,0,0,0,1|2,0,0]=3 1120 B18R3.36498 c1cc(c2ccsc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100009860987 [0,0,0,0,0,1|2,0,0]=3 1121 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3CCC3 207a_100000738700_100000068380 [0,0,0,0,0,1|3,0,0]=4 1122 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3CCC3 2230a_100000738700_100020636439 [0,0,0,0,0,1|3,0,0]=4 1123 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3CCC3 269862a_100000099548_100000753134 [0,0,0,0,0,1|3,0,0]=4 1124 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3CCC3 270004a_100000738700_100000068380 [0,0,0,0,0,1|3,0,0]=4 1125 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3CCC3 34a_100000738700_100020636439 [0,0,0,0,0,1|3,0,0]=4 1126 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3COC3 207a_100015281925_100000068380 [0,0,0,0,0,1|3,0,0]=4 1127 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3COC3 2230a_100015281925_100020636439 [0,0,0,0,0,1|3,0,0]=4 1128 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3COC3 270004a_100015281925_100000068380 [0,0,0,0,0,1|3,0,0]=4 1129 B18R3.36498 c1cc(c2cn[nH]c2c1)CNCC3COC3 34a_100015281925_100020636439 [0,0,0,0,0,1|3,0,0]=4 1130 B18R3.36498 c1cc(c2cn[nH]c2c1)CNC[C@@H]3CCO3 207a_100020831831_100000068380 [0,0,0,0,0,1|3,0,0]=4 1131 B18R3.36498 c1cc(c2cn[nH]c2c1)CNC[C@@H]3CCO3 2230a_100020831831_100020636439 [0,0,0,0,0,1|3,0,0]=4 1132 B18R3.36498 c1cc(c2cn[nH]c2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000068380 [0,0,0,0,0,1|3,0,0]=4 1133 B18R3.36498 c1cc(c2cn[nH]c2c1)CNC[C@@H]3CCO3 34a_100020831831_100020636439 [0,0,0,0,0,1|3,0,0]=4 1134 B18R3.36498 c1cc(c2nccn2c1)CNCC3CCC3 207a_100000738700_100000084367 [0,0,0,0,0,1|2,0,0]=3 1135 B18R3.36498 c1cc(c2nccn2c1)CNCC3CCC3 270004a_100000738700_100000084367 [0,0,0,0,0,1|2,0,0]=3 1136 B18R3.36498 c1cc(c2nccn2c1)CNCC3COC3 207a_100015281925_100000084367 [0,0,0,0,0,1|2,0,0]=3 1137 B18R3.36498 c1cc(c2nccn2c1)CNCC3COC3 270004a_100015281925_100000084367 [0,0,0,0,0,1|2,0,0]=3 1138 B18R3.36498 c1cc(c2nccn2c1)CNC[C@@H]3CCO3 207a_100020831831_100000084367 [0,0,0,0,0,1|2,0,0]=3 1139 B18R3.36498 c1cc(c2nccn2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000084367 [0,0,0,0,0,1|2,0,0]=3 1140 B18R3.36498 c1cc(c2ncsc2c1)CNCC3CCC3 2230a_100000738700_100010883896 [0,0,0,0,0,1|2,0,0]=3 1141 B18R3.36498 c1cc(c2ncsc2c1)CNCC3CCC3 34a_100000738700_100010883896 [0,0,0,0,0,1|2,0,0]=3 1142 B18R3.36498 c1cc(c2ncsc2c1)CNCC3COC3 2230a_100015281925_100010883896 [0,0,0,0,0,1|2,0,0]=3 1143 B18R3.36498 c1cc(c2ncsc2c1)CNCC3COC3 34a_100015281925_100010883896 [0,0,0,0,0,1|2,0,0]=3 1144 B18R3.36498 c1cc(c2ncsc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100010883896 [0,0,0,0,0,1|2,0,0]=3 1145 B18R3.36498 c1cc(c2ncsc2c1)CNC[C@@H]3CCO3 34a_100020831831_100010883896 [0,0,0,0,0,1|2,0,0]=3 1146 B18R3.36498 c1cc(c2ncsc2c1)COCC3CCC3 34a_100000760304_100010883896 [0,0,0,0,0,1|3,0,0]=4 1147 B18R3.36498 c1cc(c2ncsc2c1)COCC3CCO3 34a_100000039022_100010883896 [0,0,0,0,0,1|3,0,0]=4 1148 B18R3.36498 c1cc(c2ncsc2c1)COCC3CNC3 34a_100016987283_100010883896 [0,0,0,0,0,1|3,0,0]=4 1149 B18R3.36498 c1cc(c2ncsc2c1)COCC3COC3 34a_100000060846_100010883896 [0,0,0,0,0,1|3,0,0]=4 1150 B18R3.36498 c1cc(c2ncsc2c1)CSCC3CCC3 62a_100000763275_100010883896 [0,0,0,0,0,1|3,0,0]=4 1151 B18R3.36498 c1cc(c2ncsc2c1)CSCC3CCC3 62a_100010883896_100000763275 [0,0,0,0,0,1|3,0,0]=4 1152 B18R3.36498 c1cc(c2ncsc2c1)CSCC3CCO3 62a_100000103362_100010883896 [0,0,0,0,0,1|3,0,0]=4 1153 B18R3.36498 c1cc(c2ncsc2c1)CSCC3CCO3 62a_100010883896_100000103362 [0,0,0,0,0,1|3,0,0]=4 1154 B18R3.36498 c1cc(c2ncsc2c1)CSCC3COC3 62a_100010264016_100010883896 [0,0,0,0,0,1|3,0,0]=4 1155 B18R3.36498 c1cc(c2ncsc2c1)CSCC3COC3 62a_100010883896_100010264016 [0,0,0,0,0,1|3,0,0]=4 1156 B18R3.36498 c1cc(c2nsnc2c1)CNCC3CCC3 2230a_100000738700_100000689365 [0,0,0,0,0,1|3,0,0]=4 1157 B18R3.36498 c1cc(c2nsnc2c1)CNCC3CCC3 270004a_100000738700_100000042144 [0,0,0,0,0,1|3,0,0]=4 1158 B18R3.36498 c1cc(c2nsnc2c1)CNCC3CCC3 34a_100000738700_100000689365 [0,0,0,0,0,1|3,0,0]=4 1159 B18R3.36498 c1cc(c2nsnc2c1)CNCC3COC3 2230a_100015281925_100000689365 [0,0,0,0,0,1|3,0,0]=4 1160 B18R3.36498 c1cc(c2nsnc2c1)CNCC3COC3 270004a_100015281925_100000042144 [0,0,0,0,0,1|3,0,0]=4 1161 B18R3.36498 c1cc(c2nsnc2c1)CNCC3COC3 34a_100015281925_100000689365 [0,0,0,0,0,1|3,0,0]=4 1162 B18R3.36498 c1cc(c2nsnc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100000689365 [0,0,0,0,0,1|3,0,0]=4 1163 B18R3.36498 c1cc(c2nsnc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000042144 [0,0,0,0,0,1|3,0,0]=4 1164 B18R3.36498 c1cc(c2nsnc2c1)CNC[C@@H]3CCO3 34a_100020831831_100000689365 [0,0,0,0,0,1|3,0,0]=4 1165 B18R3.36498 c1cc(c2occc2c1)CNCC3CCC3 207a_100000738700_100000050329 [0,0,0,0,0,1|0,1,0]=2 1166 B18R3.36498 c1cc(c2occc2c1)CNCC3CCC3 270004a_100000738700_100000050329 [0,0,0,0,0,1|0,1,0]=2 1167 B18R3.36498 c1cc(c2occc2c1)CNCC3COC3 207a_100015281925_100000050329 [0,0,0,0,0,1|0,1,0]=2 1168 B18R3.36498 c1cc(c2occc2c1)CNCC3COC3 270004a_100015281925_100000050329 [0,0,0,0,0,1|0,1,0]=2 1169 B18R3.36498 c1cc(c2occc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000050329 [0,0,0,0,0,1|0,1,0]=2 1170 B18R3.36498 c1cc(c2occc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000050329 [0,0,0,0,0,1|0,1,0]=2 1171 B18R3.36498 c1cc(c2sccc2c1)CNCC3CCC3 207a_100000738700_100011934923 [0,0,0,0,0,1|0,0,0]=1 1172 B18R3.36498 c1cc(c2sccc2c1)CNCC3CCC3 2230a_100000738700_100009816938 [0,0,0,0,0,1|0,0,0]=1 1173 B18R3.36498 c1cc(c2sccc2c1)CNCC3CCC3 270004a_100000738700_100011934923 [0,0,0,0,0,1|0,0,0]=1 1174 B18R3.36498 c1cc(c2sccc2c1)CNCC3CCC3 34a_100000738700_100009816938 [0,0,0,0,0,1|0,0,0]=1 1175 B18R3.36498 c1cc(c2sccc2c1)CNCC3COC3 207a_100015281925_100011934923 [0,0,0,0,0,1|0,0,0]=1 1176 B18R3.36498 c1cc(c2sccc2c1)CNCC3COC3 2230a_100015281925_100009816938 [0,0,0,0,0,1|0,0,0]=1 1177 B18R3.36498 c1cc(c2sccc2c1)CNCC3COC3 270004a_100015281925_100011934923 [0,0,0,0,0,1|0,0,0]=1 1178 B18R3.36498 c1cc(c2sccc2c1)CNCC3COC3 34a_100015281925_100009816938 [0,0,0,0,0,1|0,0,0]=1 1179 B18R3.36498 c1cc(c2sccc2c1)CNC[C@@H]3CCO3 207a_100020831831_100011934923 [0,0,0,0,0,1|0,0,0]=1 1180 B18R3.36498 c1cc(c2sccc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100009816938 [0,0,0,0,0,1|0,0,0]=1 1181 B18R3.36498 c1cc(c2sccc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100011934923 [0,0,0,0,0,1|0,0,0]=1 1182 B18R3.36498 c1cc(c2sccc2c1)CNC[C@@H]3CCO3 34a_100020831831_100009816938 [0,0,0,0,0,1|0,0,0]=1 1183 B18R3.36498 c1cc(c2sccc2c1)COCC3CCC3 34a_100000760304_100009816938 [0,0,0,0,0,1|1,0,0]=2 1184 B18R3.36498 c1cc(c2sccc2c1)COCC3CCO3 34a_100000039022_100009816938 [0,0,0,0,0,1|1,0,0]=2 1185 B18R3.36498 c1cc(c2sccc2c1)COCC3CNC3 34a_100016987283_100009816938 [0,0,0,0,0,1|1,0,0]=2 1186 B18R3.36498 c1cc(c2sccc2c1)COCC3COC3 34a_100000060846_100009816938 [0,0,0,0,0,1|1,0,0]=2 1187 B18R3.36498 c1cc(c2sccc2c1)CSCC3CCC3 62a_100000763275_100009816938 [0,0,0,0,0,1|1,0,0]=2 1188 B18R3.36498 c1cc(c2sccc2c1)CSCC3CCO3 62a_100000103362_100009816938 [0,0,0,0,0,1|1,0,0]=2 1189 B18R3.36498 c1cc(c2sccc2c1)CSCC3COC3 62a_100010264016_100009816938 [0,0,0,0,0,1|1,0,0]=2 1190 B18R3.36498 c1cc(n2ccnc2c1)CNCC3CCC3 207a_100000738700_100000099972 [0,0,0,0,0,1|3,0,0]=4 1191 B18R3.36498 c1cc(n2ccnc2c1)CNCC3CCC3 2230a_100000738700_200020640960 [0,0,0,0,0,1|3,0,0]=4 1192 B18R3.36498 c1cc(n2ccnc2c1)CNCC3CCC3 270004a_100000738700_100000099972 [0,0,0,0,0,1|3,0,0]=4 1193 B18R3.36498 c1cc(n2ccnc2c1)CNCC3CCC3 34a_100000738700_200020640960 [0,0,0,0,0,1|3,0,0]=4 1194 B18R3.36498 c1cc(n2ccnc2c1)CNCC3COC3 207a_100015281925_100000099972 [0,0,0,0,0,1|3,0,0]=4 1195 B18R3.36498 c1cc(n2ccnc2c1)CNCC3COC3 2230a_100015281925_200020640960 [0,0,0,0,0,1|3,0,0]=4 1196 B18R3.36498 c1cc(n2ccnc2c1)CNCC3COC3 270004a_100015281925_100000099972 [0,0,0,0,0,1|3,0,0]=4 1197 B18R3.36498 c1cc(n2ccnc2c1)CNCC3COC3 34a_100015281925_200020640960 [0,0,0,0,0,1|3,0,0]=4 1198 B18R3.36498 c1cc(n2ccnc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000099972 [0,0,0,0,0,1|3,0,0]=4 1199 B18R3.36498 c1cc(n2ccnc2c1)CNC[C@@H]3CCO3 2230a_100020831831_200020640960 [0,0,0,0,0,1|3,0,0]=4 1200 B18R3.36498 c1cc(n2ccnc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000099972 [0,0,0,0,0,1|3,0,0]=4 1201 B18R3.36498 c1cc(n2ccnc2c1)CNC[C@@H]3CCO3 34a_100020831831_200020640960 [0,0,0,0,0,1|3,0,0]=4 1202 B18R3.36498 c1cc(n2nccc2c1)CNCC3CCC3 207a_100000738700_100000047034 [0,0,0,0,0,1|2,0,0]=3 1203 B18R3.36498 c1cc(n2nccc2c1)CNCC3CCC3 270004a_100000738700_100000047034 [0,0,0,0,0,1|2,0,0]=3 1204 B18R3.36498 c1cc(n2nccc2c1)CNCC3COC3 207a_100015281925_100000047034 [0,0,0,0,0,1|2,0,0]=3 1205 B18R3.36498 c1cc(n2nccc2c1)CNCC3COC3 270004a_100015281925_100000047034 [0,0,0,0,0,1|2,0,0]=3 1206 B18R3.36498 c1cc(n2nccc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000047034 [0,0,0,0,0,1|2,0,0]=3 1207 B18R3.36498 c1cc(n2nccc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000047034 [0,0,0,0,0,1|2,0,0]=3 1208 B18R3.36498 c1cc(n2ncnc2c1)CNCC3CCC3 270004a_100000738700_200000100101 [0,0,0,0,0,1|3,0,0]=4 1209 B18R3.36498 c1cc(n2ncnc2c1)CNCC3COC3 270004a_100015281925_200000100101 [0,0,0,0,0,1|3,0,0]=4 1210 B18R3.36498 c1cc(n2ncnc2c1)CNC[C@@H]3CCO3 270004a_100020831831_200000100101 [0,0,0,0,0,1|3,0,0]=4 1211 B18R3.36498 c1cc2c(c(c1)CNCC3CCC3)OCC2 207a_100000738700_100011934426 [0,0,0,0,0,1|0,1,2]=4 1212 B18R3.36498 c1cc2c(c(c1)CNCC3CCC3)OCC2 2230a_200000703977_100000763275 [0,0,0,0,0,1|0,1,2]=4 1213 B18R3.36498 c1cc2c(c(c1)CNCC3CCC3)OCC2 269862a_200000703977_100000753134 [0,0,0,0,0,1|0,1,2]=4 1214 B18R3.36498 c1cc2c(c(c1)CNCC3CCC3)OCC2 270004a_100000738700_100011934426 [0,0,0,0,0,1|0,1,2]=4 1215 B18R3.36498 c1cc2c(c(c1)CNCC3CCC3)OCC2 34a_200000703977_100000763275 [0,0,0,0,0,1|0,1,2]=4 1216 B18R3.36498 c1cc2c(c(c1)CNCC3CCO3)OCC2 2230a_200000703977_100000103362 [0,0,0,0,0,1|0,1,2]=4 1217 B18R3.36498 c1cc2c(c(c1)CNCC3CCO3)OCC2 34a_200000703977_100000103362 [0,0,0,0,0,1|0,1,2]=4 1218 B18R3.36498 c1cc2c(c(c1)CNCC3COC3)OCC2 207a_100015281925_100011934426 [0,0,0,0,0,1|0,1,2]=4 1219 B18R3.36498 c1cc2c(c(c1)CNCC3COC3)OCC2 2230a_200000703977_100010264016 [0,0,0,0,0,1|0,1,2]=4 1220 B18R3.36498 c1cc2c(c(c1)CNCC3COC3)OCC2 270004a_100015281925_100011934426 [0,0,0,0,0,1|0,1,2]=4 1221 B18R3.36498 c1cc2c(c(c1)CNCC3COC3)OCC2 34a_200000703977_100010264016 [0,0,0,0,0,1|0,1,2]=4 1222 B18R3.36498 c1cc2c(c(c1)CNC[C@@H]3CCO3)OCC2 207a_100020831831_100011934426 [0,0,0,0,0,1|0,1,2]=4 1223 B18R3.36498 c1cc2c(c(c1)CNC[C@@H]3CCO3)OCC2 270004a_100020831831_100011934426 [0,0,0,0,0,1|0,1,2]=4 1224 B18R3.238573 C(#CC1CC1)CNc2cccc3c2scn3 34a_100000099145_100009895102 [0,0,0,0,0,1|2,0,1]=4 1225 B18R3.238573 C(#CC1CC1)COc2ccnc3c2scc3 34a_100000759877_100009895102 [0,0,0,0,0,1|2,0,1]=4 1226 B18R3.238573 C(#CC1CC1)CSc2cccc3c2CC=C3 62a_100009844718_100009895102 [0,0,0,0,0,1|2,0,1]=4 1227 B18R3.238573 C(#CC1CC1)CSc2cccc3c2CC=C3 62a_100009895102_100009844718 [0,0,0,0,0,1|2,0,1]=4 1228 B18R3.238573 C(#CC1CC1)CSc2cccc3c2[nH]cc3 62a_100009895102_100009813418 [0,0,0,0,0,1|2,0,1]=4 1229 B18R3.238573 C(#CC1CC1)CSc2cccc3c2occ3 62a_100009895102_100011935138 [0,0,0,0,0,1|1,1,1]=4 1230 B18R3.238573 C(#CC1CC1)CSc2cccc3c2scc3 62a_100009895102_100000766737 [0,0,0,0,0,1|1,0,1]=3 1231 B18R3.238573 C(#CC1CC1)CSc2cccc3c2scn3 62a_100009895102_100010246326 [0,0,0,0,0,1|2,0,1]=4 1232 B18R3.238573 C(#CC1CC1)CSc2ccnc3c2scc3 62a_100009895102_100000764135 [0,0,0,0,0,1|2,0,1]=4 1233 B18R3.238573 C(#CC1CC1)CSc2nccc3c2scc3 62a_100009895102_100000117209 [0,0,0,0,0,1|2,0,1]=4 1234 B18R3.238573 C(=NNCC1CC1)c2cccc3c2[nH]cc3 4a_100000736359_100000750900 [0,0,0,0,0,1|1,0,1]=3 1235 B18R3.238573 C(=NNCC1CC1)c2cccc3c2[nH]cn3 4a_100000736359_100000100021 [0,0,0,0,0,1|2,0,1]=4 1236 B18R3.238573 C(=NNCC1CC1)c2cccc3c2[nH]nc3 4a_100000736359_100000068382 [0,0,0,0,0,1|2,0,1]=4 1237 B18R3.238573 C(=NNCC1CC1)c2cccc3c2cc[nH]3 4a_100000736359_100000750904 [0,0,0,0,0,1|2,0,1]=4 1238 B18R3.238573 C(=NNCC1CC1)c2cccc3c2ccs3 4a_100000736359_100009860987 [0,0,0,0,0,1|2,0,1]=4 1239 B18R3.238573 C(=NNCC1CC1)c2cccc3c2occ3 4a_100000736359_100000050329 [0,0,0,0,0,1|0,1,1]=3 1240 B18R3.238573 C(=NNCC1CC1)c2cccc3c2scc3 4a_100000736359_100011934923 [0,0,0,0,0,1|0,0,1]=2 1241 B18R3.238573 C(=NNCC1CC1)c2cccn3c2ncc3 4a_100000736359_100000084367 [0,0,0,0,0,1|2,0,1]=4 1242 B18R3.238573 C1=Cc2cccc(c2C1)SCCCC3CO3 62a_100000733510_100009844718 [0,0,0,0,0,1|3,0,0]=4 1243 B18R3.238573 C1=Cc2cccc(c2C1)SCCCC3CO3 62a_100009844718_100000733510 [0,0,0,0,0,1|3,0,0]=4 1244 B18R3.238573 c1cc(c2[nH]ccc2c1)CNCCC3CC3 207a_100000764129_100000750900 [0,0,0,0,0,1|1,0,0]=2 1245 B18R3.238573 c1cc(c2[nH]ccc2c1)CNCCC3CC3 270004a_100000764129_100000750900 [0,0,0,0,0,1|1,0,0]=2 1246 B18R3.238573 c1cc(c2[nH]ccc2c1)SCCCC3CO3 62a_100000733510_100009813418 [0,0,0,0,0,1|3,0,0]=4 1247 B18R3.238573 c1cc(c2[nH]cnc2c1)CNCCC3CC3 207a_100000764129_100000100021 [0,0,0,0,0,1|2,0,0]=3 1248 B18R3.238573 c1cc(c2[nH]cnc2c1)CNCCC3CC3 270004a_100000764129_100000100021 [0,0,0,0,0,1|2,0,0]=3 1249 B18R3.238573 c1cc(c2[nH]ncc2c1)CNCCC3CC3 207a_100000764129_100000068382 [0,0,0,0,0,1|2,0,0]=3 1250 B18R3.238573 c1cc(c2[nH]ncc2c1)CNCCC3CC3 270004a_100000764129_100000068382 [0,0,0,0,0,1|2,0,0]=3 1251 B18R3.238573 c1cc(c2[nH]ncc2c1)CNCCC3CC3 34a_100000764129_100000099550 [0,0,0,0,0,1|2,0,0]=3 1252 B18R3.238573 c1cc(c2[nH]ncc2c1)COCCC3CC3 34a_100000754188_100000099550 [0,0,0,0,0,1|3,0,0]=4 1253 B18R3.238573 c1cc(c2[nH]ncc2c1)COCCC3CC3 7a_100000754188_100000099550 [0,0,0,0,0,1|3,0,0]=4 1254 B18R3.238573 c1cc(c2[nH]ncc2c1)CSCCC3CC3 62a_100000764125_100000099550 [0,0,0,0,0,1|3,0,0]=4 1255 B18R3.238573 c1cc(c2c(c1)OCC2)CNCCC3CC3 207a_100000764129_100000045544 [0,0,0,0,0,1|2,0,1]=4 1256 B18R3.238573 c1cc(c2c(c1)OCC2)CNCCC3CC3 270004a_100000764129_100000045544 [0,0,0,0,0,1|2,0,1]=4 1257 B18R3.238573 c1cc(c2c(c1)OCO2)CNCCC3CC3 207a_100000764129_100000028116 [0,0,0,0,0,1|1,1,1]=4 1258 B18R3.238573 c1cc(c2c(c1)OCO2)CNCCC3CC3 2230a_100000743722_100000694398 [0,0,0,0,0,1|1,1,1]=4 1259 B18R3.238573 c1cc(c2c(c1)OCO2)CNCCC3CC3 34a_100000743722_100000694398 [0,0,0,0,0,1|1,1,1]=4 1260 B18R3.238573 c1cc(c2cc[nH]c2c1)CNCCC3CC3 207a_100000764129_100000750904 [0,0,0,0,0,1|2,0,0]=3 1261 B18R3.238573 c1cc(c2ccsc2c1)CNCCC3CC3 207a_100000764129_100009860987 [0,0,0,0,0,1|2,0,0]=3 1262 B18R3.238573 c1cc(c2ccsc2c1)CNCCC3CC3 270004a_100000764129_100009860987 [0,0,0,0,0,1|2,0,0]=3 1263 B18R3.238573 c1cc(c2cn[nH]c2c1)CNCCC3CC3 207a_100000764129_100000068380 [0,0,0,0,0,1|3,0,0]=4 1264 B18R3.238573 c1cc(c2cn[nH]c2c1)CNCCC3CC3 270004a_100000764129_100000068380 [0,0,0,0,0,1|3,0,0]=4 1265 B18R3.238573 c1cc(c2cn[nH]c2c1)CNCCC3CC3 34a_100000764129_100020636439 [0,0,0,0,0,1|3,0,0]=4 1266 B18R3.238573 c1cc(c2nccn2c1)CNCCC3CC3 207a_100000764129_100000084367 [0,0,0,0,0,1|2,0,0]=3 1267 B18R3.238573 c1cc(c2nccn2c1)CNCCC3CC3 270004a_100000764129_100000084367 [0,0,0,0,0,1|2,0,0]=3 1268 B18R3.238573 c1cc(c2ncsc2c1)CNCCC3CC3 34a_100000764129_100010883896 [0,0,0,0,0,1|2,0,0]=3 1269 B18R3.238573 c1cc(c2ncsc2c1)COCCC3CC3 34a_100000754188_100010883896 [0,0,0,0,0,1|3,0,0]=4 1270 B18R3.238573 c1cc(c2ncsc2c1)CSCCC3CC3 62a_100000764125_100010883896 [0,0,0,0,0,1|3,0,0]=4 1271 B18R3.238573 c1cc(c2ncsc2c1)CSCCC3CC3 62a_100010883896_100000764125 [0,0,0,0,0,1|3,0,0]=4 1272 B18R3.238573 c1cc(c2nsnc2c1)CNCCC3CC3 270004a_100000764129_100000042144 [0,0,0,0,0,1|3,0,0]=4 1273 B18R3.238573 c1cc(c2nsnc2c1)CNCCC3CC3 34a_100000764129_100000689365 [0,0,0,0,0,1|3,0,0]=4 1274 B18R3.238573 c1cc(c2occc2c1)CNCCC3CC3 207a_100000764129_100000050329 [0,0,0,0,0,1|0,1,0]=2 1275 B18R3.238573 c1cc(c2occc2c1)CNCCC3CC3 270004a_100000764129_100000050329 [0,0,0,0,0,1|0,1,0]=2 1276 B18R3.238573 c1cc(c2occc2c1)SCCCC3CO3 62a_100000733510_100011935138 [0,0,0,0,0,1|2,1,0]=4 1277 B18R3.238573 c1cc(c2sccc2c1)CNCCC3CC3 207a_100000764129_100011934923 [0,0,0,0,0,1|0,0,0]=1 1278 B18R3.238573 c1cc(c2sccc2c1)CNCCC3CC3 270004a_100000764129_100011934923 [0,0,0,0,0,1|0,0,0]=1 1279 B18R3.238573 c1cc(c2sccc2c1)CNCCC3CC3 34a_100000764129_100009816938 [0,0,0,0,0,1|0,0,0]=1 1280 B18R3.238573 c1cc(c2sccc2c1)COCCC3CC3 34a_100000754188_100009816938 [0,0,0,0,0,1|1,0,0]=2 1281 B18R3.238573 c1cc(c2sccc2c1)COCCC3CC3 7a_100000754188_100009816938 [0,0,0,0,0,1|1,0,0]=2 1282 B18R3.238573 c1cc(c2sccc2c1)COCC[C@@H]3CO3 34a_100009820653_100009816938 [0,0,0,0,0,1|2,0,0]=3 1283 B18R3.238573 c1cc(c2sccc2c1)CSCCC3CC3 62a_100000764125_100009816938 [0,0,0,0,0,1|1,0,0]=2 1284 B18R3.238573 c1cc(c2sccc2c1)CSCCC3CO3 62a_100000732470_100009816938 [0,0,0,0,0,1|2,0,0]=3 1285 B18R3.238573 c1cc(c2sccc2c1)SCCCC3CO3 62a_100000733510_100000766737 [0,0,0,0,0,1|2,0,0]=3 1286 B18R3.238573 c1cc(c2sccc2n1)OCCCC3CO3 34a_100000759877_100000733510 [0,0,0,0,0,1|3,0,0]=4 1287 B18R3.238573 c1cc(c2sccc2n1)SCCCC3CO3 62a_100000733510_100000764135 [0,0,0,0,0,1|3,0,0]=4 1288 B18R3.238573 c1cc(c2scnc2c1)NCCCC3CO3 34a_100000099145_100000733510 [0,0,0,0,0,1|3,0,0]=4 1289 B18R3.238573 c1cc(c2scnc2c1)SCCCC3CO3 62a_100000733510_100010246326 [0,0,0,0,0,1|3,0,0]=4 1290 B18R3.238573 c1cc(n2ccnc2c1)CNCCC3CC3 207a_100000764129_100000099972 [0,0,0,0,0,1|3,0,0]=4 1291 B18R3.238573 c1cc(n2ccnc2c1)CNCCC3CC3 270004a_100000764129_100000099972 [0,0,0,0,0,1|3,0,0]=4 1292 B18R3.238573 c1cc(n2ccnc2c1)CNCCC3CC3 34a_100000764129_200020640960 [0,0,0,0,0,1|3,0,0]=4 1293 B18R3.238573 c1cc(n2nccc2c1)CNCCC3CC3 207a_100000764129_100000047034 [0,0,0,0,0,1|2,0,0]=3 1294 B18R3.238573 c1cc(n2nccc2c1)CNCCC3CC3 270004a_100000764129_100000047034 [0,0,0,0,0,1|2,0,0]=3 1295 B18R3.238573 c1cc(n2ncnc2c1)CNCCC3CC3 270004a_100000764129_200000100101 [0,0,0,0,0,1|3,0,0]=4 1296 B18R3.238573 c1cc2c(c(c1)CNCCC3CC3)OCC2 207a_100000764129_100011934426 [0,0,0,0,0,1|0,1,2]=4 1297 B18R3.238573 c1cc2c(c(c1)CNCCC3CC3)OCC2 2230a_200000703977_100000694398 [0,0,0,0,0,1|0,1,2]=4 1298 B18R3.238573 c1cc2c(c(c1)CNCCC3CC3)OCC2 270004a_100000764129_100011934426 [0,0,0,0,0,1|0,1,2]=4 1299 B18R3.238573 c1cc2c(c(c1)CNCCC3CC3)OCC2 34a_200000703977_100000694398 [0,0,0,0,0,1|0,1,2]=4 1300 B18R3.238573 c1cc2ccsc2c(n1)SCCCC3CO3 62a_100000733510_100000117209 [0,0,0,0,0,1|3,0,0]=4 1301 B15R2.4931 C#Cc1ccccc1CNCC2CC2 34a_100020634229_100000742324 [1,0,1,0,0,0|0,0,2]=4 1302 B15R2.4931 C=Cc1ccccc1COCC2CC2 34a_200010883148_100000742324 [1,0,1,0,0,0|1,0,0]=3 1303 B15R2.4931 C=Cc1ccccc1COCC2CC2 7a_200010883148_100000742324 [1,0,1,0,0,0|1,0,0]=3 1304 B15R2.4931 C=Cc1ccccc1COCC2CO2 34a_200010883148_102125554688 [1,0,1,0,0,0|2,0,0]=4 1305 B15R2.4931 C=Cc1ccccc1COCC2CO2 7a_200010883148_102125554688 [1,0,1,0,0,0|2,0,0]=4 1306 B15R2.4931 C=Cc1ccccc1COCC2CS2 7a_200010883148_100000031435 [1,0,1,0,0,0|2,0,0]=4 1307 B15R2.4931 C=Cc1ccccc1COC[C@@H]2CO2 7a_200010883148_100000745022 [1,0,1,0,0,0|2,0,0]=4 1308 B15R2.4931 C=Cc1ccccc1NCCC2CC2 34a_100012022501_100000694398 [1,0,1,0,0,0|2,0,0]=4 1309 B15R2.4931 C=Cc1ccccc1SCCC2CC2 62a_100000764125_100011218376 [1,0,1,0,0,0|2,0,0]=4 1310 B15R2.4931 C=Cc1ccccc1SCCC2CC2 62a_100011218376_100000764125 [1,0,1,0,0,0|2,0,0]=4 1311 B15R2.4931 CCc1ccccc1CNCC2CC2 207a_100000735609_100011219594 [1,0,1,0,0,0|0,0,2]=4 1312 B15R2.4931 CCc1ccccc1CNCC2CC2 270004a_100000735609_100011219594 [1,0,1,0,0,0|0,0,2]=4 1313 B15R2.4931 COc1ccccc1CNCC2CC2 207a_100000735609_100000169842 [1,0,1,0,0,0|0,1,1]=4 1314 B15R2.4931 COc1ccccc1CNCC2CC2 2230a_100000735609_100000210004 [1,0,1,0,0,0|0,1,1]=4 1315 B15R2.4931 COc1ccccc1CNCC2CC2 269862a_100000188900_100000741477 [1,0,1,0,0,0|0,1,1]=4 1316 B15R2.4931 COc1ccccc1CNCC2CC2 270004a_100000735609_100000169842 [1,0,1,0,0,0|0,1,1]=4 1317 B15R2.4931 COc1ccccc1CNCC2CC2 34a_100000188900_100000742324 [1,0,1,0,0,0|0,1,1]=4 1318 B15R2.4931 COc1ccccc1CNCC2CC2 34a_100000735609_100000210004 [1,0,1,0,0,0|0,1,1]=4 1319 B15R2.4931 CSc1ccccc1CNCC2CC2 207a_100000735609_100011217347 [1,0,1,0,0,0|0,0,1]=3 1320 B15R2.4931 CSc1ccccc1CNCC2CC2 2230a_100000735609_100000699184 [1,0,1,0,0,0|0,0,1]=3 1321 B15R2.4931 CSc1ccccc1CNCC2CC2 269862a_102495365025_100000741477 [1,0,1,0,0,0|0,0,1]=3 1322 B15R2.4931 CSc1ccccc1CNCC2CC2 270004a_100000735609_100011217347 [1,0,1,0,0,0|0,0,1]=3 1323 B15R2.4931 CSc1ccccc1CNCC2CC2 34a_100000735609_100000699184 [1,0,1,0,0,0|0,0,1]=3 1324 B15R2.4931 CSc1ccccc1CNCC2CC2 34a_102495365025_100000742324 [1,0,1,0,0,0|0,0,1]=3 1325 B15R2.4931 CSc1ccccc1CNCC2CO2 34a_102495365025_102125554688 [1,0,1,0,0,0|1,0,1]=4 1326 B15R2.4931 CSc1ccccc1COCC2CC2 34a_100000211283_100000699184 [1,0,1,0,0,0|1,0,1]=4 1327 B15R2.4931 CSc1ccccc1COCC2CC2 34a_100000699167_100000742324 [1,0,1,0,0,0|1,0,1]=4 1328 B15R2.4931 CSc1ccccc1CSCC2CC2 62a_100000699184_100000742324 [1,0,1,0,0,0|1,0,1]=4 1329 B15R2.4931 CSc1ccccc1CSCC2CC2 62a_100000756562_100000699184 [1,0,1,0,0,0|1,0,1]=4 1330 B15R2.4931 N#Cc1ccccc1CNCC2CC2 2230a_100000735609_100000181865 [1,0,1,0,0,0|1,0,1]=4 1331 B15R2.4931 N#Cc1ccccc1CNCC2CC2 269862a_100016989011_100000741477 [1,0,1,0,0,0|1,0,1]=4 1332 B15R2.4931 N#Cc1ccccc1CNCC2CC2 34a_100000735609_100000181865 [1,0,1,0,0,0|1,0,1]=4 1333 B15R2.4931 N#Cc1ccccc1CNCC2CC2 34a_100016989011_100000742324 [1,0,1,0,0,0|1,0,1]=4 1334 B15R2.4931 O=Cc1ccccc1CNCC2CC2 2230a_100000735609_200009853537 [1,0,1,0,0,0|1,0,0]=3 1335 B15R2.4931 O=Cc1ccccc1CNCC2CC2 34a_100000735609_200009853537 [1,0,1,0,0,0|1,0,0]=3 1336 B15R2.4931 O=Cc1ccccc1COCC2CC2 34a_100000211283_200009853537 [1,0,1,0,0,0|2,0,0]=4 1337 B15R2.4931 O=Cc1ccccc1CSCC2CC2 62a_100000756562_200009853537 [1,0,1,0,0,0|2,0,0]=4 1338 B15R2.4931 O=Cc1ccccc1CSCC2CC2 62a_200009853537_100000742324 [1,0,1,0,0,0|2,0,0]=4 1339 B15R2.4931 OCc1ccccc1CNCC2CC2 2230a_100000735609_100009816955 [1,0,1,0,0,0|1,0,1]=4 1340 B15R2.4931 OCc1ccccc1CNCC2CC2 269862a_100000743596_100000741477 [1,0,1,0,0,0|1,0,1]=4 1341 B15R2.4931 OCc1ccccc1CNCC2CC2 34a_100000735609_100009816955 [1,0,1,0,0,0|1,0,1]=4 1342 B15R2.7158 Brc1c(cccc1CNCC2CC2)I 2230a_100000735609_100010254545 [1,0,1,0,0,0|2,0,0]=4 1343 B15R2.7158 Brc1c(cccc1CNCC2CC2)I 34a_100000735609_100010254545 [1,0,1,0,0,0|2,0,0]=4 1344 B15R2.7158 Brc1cccc(c1Br)CNCC2CC2 207a_100000735609_100010240334 [1,0,1,0,0,0|2,0,0]=4 1345 B15R2.7158 Brc1cccc(c1Br)CNCC2CC2 270004a_100000735609_100010240334 [1,0,1,0,0,0|2,0,0]=4 1346 B15R2.7158 Cc1c(cccc1CNCC2CC2)Br 207a_100000735609_100012179384 [1,0,1,0,0,0|1,0,1]=4 1347 B15R2.7158 Cc1c(cccc1CNCC2CC2)Br 2230a_100000735609_100000694682 [1,0,1,0,0,0|1,0,1]=4 1348 B15R2.7158 Cc1c(cccc1CNCC2CC2)Br 269862a_100000724210_100000741477 [1,0,1,0,0,0|1,0,1]=4 1349 B15R2.7158 Cc1c(cccc1CNCC2CC2)Br 270004a_100000735609_100012179384 [1,0,1,0,0,0|1,0,1]=4 1350 B15R2.7158 Cc1c(cccc1CNCC2CC2)Br 34a_100000724210_100000742324 [1,0,1,0,0,0|1,0,1]=4 1351 B15R2.7158 Cc1c(cccc1CNCC2CC2)Br 34a_100000735609_100000694682 [1,0,1,0,0,0|1,0,1]=4 1352 B15R2.7158 Cc1c(cccc1CNCC2CC2)Cl 207a_100000735609_100012002129 [1,0,1,0,0,0|1,0,1]=4 1353 B15R2.7158 Cc1c(cccc1CNCC2CC2)Cl 2230a_100000735609_100012186920 [1,0,1,0,0,0|1,0,1]=4 1354 B15R2.7158 Cc1c(cccc1CNCC2CC2)Cl 2230a_100020639605_100000742324 [1,0,1,0,0,0|1,0,1]=4 1355 B15R2.7158 Cc1c(cccc1CNCC2CC2)Cl 269862a_100020639605_100000741477 [1,0,1,0,0,0|1,0,1]=4 1356 B15R2.7158 Cc1c(cccc1CNCC2CC2)Cl 270004a_100000735609_100012002129 [1,0,1,0,0,0|1,0,1]=4 1357 B15R2.7158 Cc1c(cccc1CNCC2CC2)Cl 34a_100000735609_100012186920 [1,0,1,0,0,0|1,0,1]=4 1358 B15R2.7158 Cc1c(cccc1CNCC2CC2)Cl 34a_100020639605_100000742324 [1,0,1,0,0,0|1,0,1]=4 1359 B15R2.7158 Cc1c(cccc1CNCC2CC2)F 207a_100000735609_100000037668 [1,0,1,0,0,0|1,0,1]=4 1360 B15R2.7158 Cc1c(cccc1CNCC2CC2)F 2230a_100000735609_100009813626 [1,0,1,0,0,0|1,0,1]=4 1361 B15R2.7158 Cc1c(cccc1CNCC2CC2)F 2230a_100132306986_100000742324 [1,0,1,0,0,0|1,0,1]=4 1362 B15R2.7158 Cc1c(cccc1CNCC2CC2)F 269862a_100132306986_100000741477 [1,0,1,0,0,0|1,0,1]=4 1363 B15R2.7158 Cc1c(cccc1CNCC2CC2)F 270004a_100000735609_100000037668 [1,0,1,0,0,0|1,0,1]=4 1364 B15R2.7158 Cc1c(cccc1CNCC2CC2)F 34a_100000735609_100009813626 [1,0,1,0,0,0|1,0,1]=4 1365 B15R2.7158 Cc1c(cccc1CNCC2CC2)F 34a_100132306986_100000742324 [1,0,1,0,0,0|1,0,1]=4 1366 B15R2.7158 Cc1c(cccc1CNCC2CC2)I 2230a_100000735609_100010150147 [1,0,1,0,0,0|1,0,1]=4 1367 B15R2.7158 Cc1c(cccc1CNCC2CC2)I 34a_100000735609_100010150147 [1,0,1,0,0,0|1,0,1]=4 1368 B15R2.7158 Cc1c(cccc1CNCC2CC2)O 270004a_100000735609_100009868165 [1,0,1,0,0,0|1,0,1]=4 1369 B15R2.7158 Cc1cccc(c1Br)CNCC2CC2 207a_100000735609_100012186367 [1,0,1,0,0,0|1,0,1]=4 1370 B15R2.7158 Cc1cccc(c1Br)CNCC2CC2 2230a_100000735609_200012349612 [1,0,1,0,0,0|1,0,1]=4 1371 B15R2.7158 Cc1cccc(c1Br)CNCC2CC2 270004a_100000735609_100012186367 [1,0,1,0,0,0|1,0,1]=4 1372 B15R2.7158 Cc1cccc(c1Br)CNCC2CC2 34a_100000735609_200012349612 [1,0,1,0,0,0|1,0,1]=4 1373 B15R2.7158 Cc1cccc(c1C)CNCC2CC2 207a_100000735609_100000229941 [1,0,1,0,0,0|0,0,2]=4 1374 B15R2.7158 Cc1cccc(c1C)CNCC2CC2 2230a_100000735609_100011515928 [1,0,1,0,0,0|0,0,2]=4 1375 B15R2.7158 Cc1cccc(c1C)CNCC2CC2 2230a_100011211637_100000742324 [1,0,1,0,0,0|0,0,2]=4 1376 B15R2.7158 Cc1cccc(c1C)CNCC2CC2 269862a_100011211637_100000741477 [1,0,1,0,0,0|0,0,2]=4 1377 B15R2.7158 Cc1cccc(c1C)CNCC2CC2 270004a_100000735609_100000229941 [1,0,1,0,0,0|0,0,2]=4 1378 B15R2.7158 Cc1cccc(c1C)CNCC2CC2 34a_100000735609_100011273979 [1,0,1,0,0,0|0,0,2]=4 1379 B15R2.7158 Cc1cccc(c1C)CNCC2CC2 34a_100011211637_100000742324 [1,0,1,0,0,0|0,0,2]=4 1380 B15R2.7158 Cc1cccc(c1Cl)CNCC2CC2 207a_100000735609_100012017286 [1,0,1,0,0,0|1,0,1]=4 1381 B15R2.7158 Cc1cccc(c1Cl)CNCC2CC2 2230a_100025705714_100000742324 [1,0,1,0,0,0|1,0,1]=4 1382 B15R2.7158 Cc1cccc(c1Cl)CNCC2CC2 269862a_100025705714_100000741477 [1,0,1,0,0,0|1,0,1]=4 1383 B15R2.7158 Cc1cccc(c1Cl)CNCC2CC2 270004a_100000735609_100012017286 [1,0,1,0,0,0|1,0,1]=4 1384 B15R2.7158 Cc1cccc(c1Cl)CNCC2CC2 34a_100025705714_100000742324 [1,0,1,0,0,0|1,0,1]=4 1385 B15R2.7158 Cc1cccc(c1F)CNCC2CC2 207a_100000735609_100011219516 [1,0,1,0,0,0|1,0,1]=4 1386 B15R2.7158 Cc1cccc(c1F)CNCC2CC2 2230a_100000735609_100011216058 [1,0,1,0,0,0|1,0,1]=4 1387 B15R2.7158 Cc1cccc(c1F)CNCC2CC2 2230a_100012002060_100000742324 [1,0,1,0,0,0|1,0,1]=4 1388 B15R2.7158 Cc1cccc(c1F)CNCC2CC2 269862a_100012002060_100000741477 [1,0,1,0,0,0|1,0,1]=4 1389 B15R2.7158 Cc1cccc(c1F)CNCC2CC2 270004a_100000735609_100011219516 [1,0,1,0,0,0|1,0,1]=4 1390 B15R2.7158 Cc1cccc(c1F)CNCC2CC2 34a_100000735609_100011216058 [1,0,1,0,0,0|1,0,1]=4 1391 B15R2.7158 Cc1cccc(c1F)CNCC2CC2 34a_100012002060_100000742324 [1,0,1,0,0,0|1,0,1]=4 1392 B15R2.7158 Cc1cccc(c1O)CNCC2CC2 269862a_100020639391_100000741477 [1,0,1,0,0,0|0,1,1]=4 1393 B15R2.7158 Cc1cccc(c1O)CNCC2CC2 34a_100020639391_100000742324 [1,0,1,0,0,0|0,1,1]=4 1394 B15R2.7158 Clc1c(cccc1CNCC2CC2)Br 207a_100000735609_100012362481 [1,0,1,0,0,0|2,0,0]=4 1395 B15R2.7158 Clc1c(cccc1CNCC2CC2)Br 2230a_100000735609_100012349491 [1,0,1,0,0,0|2,0,0]=4 1396 B15R2.7158 Clc1c(cccc1CNCC2CC2)Br 270004a_100000735609_100012362481 [1,0,1,0,0,0|2,0,0]=4 1397 B15R2.7158 Clc1c(cccc1CNCC2CC2)Br 34a_100000735609_100012349491 [1,0,1,0,0,0|2,0,0]=4 1398 B15R2.7158 Clc1cccc(c1Br)CNCC2CC2 207a_100000735609_100010232083 [1,0,1,0,0,0|2,0,0]=4 1399 B15R2.7158 Clc1cccc(c1Br)CNCC2CC2 2230a_100000735609_100010145525 [1,0,1,0,0,0|2,0,0]=4 1400 B15R2.7158 Clc1cccc(c1Br)CNCC2CC2 270004a_100000735609_100010232083 [1,0,1,0,0,0|2,0,0]=4 1401 B15R2.7158 Clc1cccc(c1Br)CNCC2CC2 34a_100000735609_100010145525 [1,0,1,0,0,0|2,0,0]=4 1402 B15R2.7158 Clc1cccc(c1Cl)CNCC2CC2 207a_100000735609_100000210504 [1,0,1,0,0,0|2,0,0]=4 1403 B15R2.7158 Clc1cccc(c1Cl)CNCC2CC2 2230a_100000735609_100000723366 [1,0,1,0,0,0|2,0,0]=4 1404 B15R2.7158 Clc1cccc(c1Cl)CNCC2CC2 2230a_100011211633_100000742324 [1,0,1,0,0,0|2,0,0]=4 1405 B15R2.7158 Clc1cccc(c1Cl)CNCC2CC2 269862a_100011211633_100000741477 [1,0,1,0,0,0|2,0,0]=4 1406 B15R2.7158 Clc1cccc(c1Cl)CNCC2CC2 270004a_100000735609_100000210504 [1,0,1,0,0,0|2,0,0]=4 1407 B15R2.7158 Clc1cccc(c1Cl)CNCC2CC2 34a_100000735609_100000723366 [1,0,1,0,0,0|2,0,0]=4 1408 B15R2.7158 Clc1cccc(c1Cl)CNCC2CC2 34a_100011211633_100000742324 [1,0,1,0,0,0|2,0,0]=4 1409 B15R2.7158 Fc1c(cccc1CNCC2CC2)Br 207a_100000735609_100011361543 [1,0,1,0,0,0|2,0,0]=4 1410 B15R2.7158 Fc1c(cccc1CNCC2CC2)Br 2230a_100000735609_100012356506 [1,0,1,0,0,0|2,0,0]=4 1411 B15R2.7158 Fc1c(cccc1CNCC2CC2)Br 2230a_100015189953_100000742324 [1,0,1,0,0,0|2,0,0]=4 1412 B15R2.7158 Fc1c(cccc1CNCC2CC2)Br 269862a_100015189953_100000741477 [1,0,1,0,0,0|2,0,0]=4 1413 B15R2.7158 Fc1c(cccc1CNCC2CC2)Br 270004a_100000735609_100011361543 [1,0,1,0,0,0|2,0,0]=4 1414 B15R2.7158 Fc1c(cccc1CNCC2CC2)Br 34a_100000735609_100012356506 [1,0,1,0,0,0|2,0,0]=4 1415 B15R2.7158 Fc1c(cccc1CNCC2CC2)Br 34a_100015189953_100000742324 [1,0,1,0,0,0|2,0,0]=4 1416 B15R2.7158 Fc1c(cccc1CNCC2CC2)Cl 207a_100000735609_100000766533 [1,0,1,0,0,0|2,0,0]=4 1417 B15R2.7158 Fc1c(cccc1CNCC2CC2)Cl 2230a_100000735609_100000716733 [1,0,1,0,0,0|2,0,0]=4 1418 B15R2.7158 Fc1c(cccc1CNCC2CC2)Cl 2230a_100000764326_100000742324 [1,0,1,0,0,0|2,0,0]=4 1419 B15R2.7158 Fc1c(cccc1CNCC2CC2)Cl 269862a_100000764326_100000741477 [1,0,1,0,0,0|2,0,0]=4 1420 B15R2.7158 Fc1c(cccc1CNCC2CC2)Cl 270004a_100000735609_100000766533 [1,0,1,0,0,0|2,0,0]=4 1421 B15R2.7158 Fc1c(cccc1CNCC2CC2)Cl 34a_100000735609_100000716733 [1,0,1,0,0,0|2,0,0]=4 1422 B15R2.7158 Fc1c(cccc1CNCC2CC2)Cl 34a_100000764326_100000742324 [1,0,1,0,0,0|2,0,0]=4 1423 B15R2.7158 Fc1c(cccc1CNCC2CC2)I 207a_100000735609_100010202174 [1,0,1,0,0,0|2,0,0]=4 1424 B15R2.7158 Fc1c(cccc1CNCC2CC2)I 270004a_100000735609_100010202174 [1,0,1,0,0,0|2,0,0]=4 1425 B15R2.7158 Fc1cccc(c1Br)CNCC2CC2 207a_100000735609_100011934749 [1,0,1,0,0,0|2,0,0]=4 1426 B15R2.7158 Fc1cccc(c1Br)CNCC2CC2 2230a_100000735609_100012351116 [1,0,1,0,0,0|2,0,0]=4 1427 B15R2.7158 Fc1cccc(c1Br)CNCC2CC2 2230a_100020638964_100000742324 [1,0,1,0,0,0|2,0,0]=4 1428 B15R2.7158 Fc1cccc(c1Br)CNCC2CC2 269862a_100020638964_100000741477 [1,0,1,0,0,0|2,0,0]=4 1429 B15R2.7158 Fc1cccc(c1Br)CNCC2CC2 270004a_100000735609_100011934749 [1,0,1,0,0,0|2,0,0]=4 1430 B15R2.7158 Fc1cccc(c1Br)CNCC2CC2 34a_100000735609_100012351116 [1,0,1,0,0,0|2,0,0]=4 1431 B15R2.7158 Fc1cccc(c1Br)CNCC2CC2 34a_100020638964_100000742324 [1,0,1,0,0,0|2,0,0]=4 1432 B15R2.7158 Fc1cccc(c1Cl)CNCC2CC2 207a_100000735609_100011998484 [1,0,1,0,0,0|2,0,0]=4 1433 B15R2.7158 Fc1cccc(c1Cl)CNCC2CC2 2230a_100000735609_100000696688 [1,0,1,0,0,0|2,0,0]=4 1434 B15R2.7158 Fc1cccc(c1Cl)CNCC2CC2 2230a_100012001614_100000742324 [1,0,1,0,0,0|2,0,0]=4 1435 B15R2.7158 Fc1cccc(c1Cl)CNCC2CC2 269862a_100012001614_100000741477 [1,0,1,0,0,0|2,0,0]=4 1436 B15R2.7158 Fc1cccc(c1Cl)CNCC2CC2 270004a_100000735609_100011998484 [1,0,1,0,0,0|2,0,0]=4 1437 B15R2.7158 Fc1cccc(c1Cl)CNCC2CC2 34a_100000735609_100000696688 [1,0,1,0,0,0|2,0,0]=4 1438 B15R2.7158 Fc1cccc(c1Cl)CNCC2CC2 34a_100012001614_100000742324 [1,0,1,0,0,0|2,0,0]=4 1439 B15R2.7158 Fc1cccc(c1F)CNCC2CC2 207a_100000735609_100000753312 [1,0,1,0,0,0|2,0,0]=4 1440 B15R2.7158 Fc1cccc(c1F)CNCC2CC2 2230a_100000735609_100000217499 [1,0,1,0,0,0|2,0,0]=4 1441 B15R2.7158 Fc1cccc(c1F)CNCC2CC2 2230a_100011199105_100000742324 [1,0,1,0,0,0|2,0,0]=4 1442 B15R2.7158 Fc1cccc(c1F)CNCC2CC2 269862a_100011199105_100000741477 [1,0,1,0,0,0|2,0,0]=4 1443 B15R2.7158 Fc1cccc(c1F)CNCC2CC2 270004a_100000735609_100000753312 [1,0,1,0,0,0|2,0,0]=4 1444 B15R2.7158 Fc1cccc(c1F)CNCC2CC2 34a_100000735609_100000217499 [1,0,1,0,0,0|2,0,0]=4 1445 B15R2.7158 Fc1cccc(c1F)CNCC2CC2 34a_100011199105_100000742324 [1,0,1,0,0,0|2,0,0]=4 1446 B15R2.7158 Fc1cccc(c1I)CNCC2CC2 207a_100000735609_100010186293 [1,0,1,0,0,0|2,0,0]=4 1447 B15R2.7158 Fc1cccc(c1I)CNCC2CC2 2230a_100000735609_100010149603 [1,0,1,0,0,0|2,0,0]=4 1448 B15R2.7158 Fc1cccc(c1I)CNCC2CC2 270004a_100000735609_100010186293 [1,0,1,0,0,0|2,0,0]=4 1449 B15R2.7158 Fc1cccc(c1I)CNCC2CC2 34a_100000735609_100010149603 [1,0,1,0,0,0|2,0,0]=4 1450 B15R2.7158 Oc1cccc(c1Cl)CNCC2CC2 270004a_100000735609_100000050521 [1,0,1,0,0,0|2,0,0]=4 1451 B15R2.7158 Oc1cccc(c1F)CNCC2CC2 269862a_100025773512_100000741477 [1,0,1,0,0,0|2,0,0]=4 1452 B15R2.7158 Oc1cccc(c1F)CNCC2CC2 34a_100025773512_100000742324 [1,0,1,0,0,0|2,0,0]=4 1453 B15R2.2488 C#Cc1cccc(c1)CNCC2CC2 207a_100000735609_100011361529 [1,0,1,0,0,0|0,0,2]=4 1454 B15R2.2488 C=Cc1cccc(c1)CNCC2CC2 270004a_100000735609_100011218069 [1,0,1,0,0,0|0,0,0]=2 1455 B15R2.2488 C=Cc1cccc(c1)CNCC2CC2 271570a_100011290941_100000712819 [1,0,1,0,0,0|0,0,0]=2 1456 B15R2.2488 C=Cc1cccc(c1)NCCC2CC2 34a_100011827668_100000694398 [1,0,1,0,0,0|2,0,0]=4 1457 B15R2.2488 C=Cc1cccc(c1)OCCC2CC2 34a_100011309434_100000694398 [1,0,1,0,0,0|2,0,0]=4 1458 B15R2.2488 C=Cc1cccc(c1)OCCC2CC2 7a_100011309434_100000764125 [1,0,1,0,0,0|2,0,0]=4 1459 B15R2.2488 C=Cc1cccc(c1)SCCC2CC2 62a_100000764125_100011215241 [1,0,1,0,0,0|2,0,0]=4 1460 B15R2.2488 C=Cc1cccc(c1)SCCC2CC2 62a_100011215241_100000764125 [1,0,1,0,0,0|2,0,0]=4 1461 B15R2.2488 CCc1cccc(c1)CNCC2CC2 207a_100000735609_100011999841 [1,0,1,0,0,0|0,0,2]=4 1462 B15R2.2488 CCc1cccc(c1)CNCC2CC2 270004a_100000735609_100011999841 [1,0,1,0,0,0|0,0,2]=4 1463 B15R2.2488 COc1cccc(c1)CNCC2CC2 207a_100000735609_100000170238 [1,0,1,0,0,0|1,0,1]=4 1464 B15R2.2488 COc1cccc(c1)CNCC2CC2 2230a_100000174954_100000742324 [1,0,1,0,0,0|1,0,1]=4 1465 B15R2.2488 COc1cccc(c1)CNCC2CC2 2230a_100000735609_100000211672 [1,0,1,0,0,0|1,0,1]=4 1466 B15R2.2488 COc1cccc(c1)CNCC2CC2 269862a_100000174954_100000741477 [1,0,1,0,0,0|1,0,1]=4 1467 B15R2.2488 COc1cccc(c1)CNCC2CC2 270004a_100000735609_100000170238 [1,0,1,0,0,0|1,0,1]=4 1468 B15R2.2488 COc1cccc(c1)CNCC2CC2 34a_100000174954_100000742324 [1,0,1,0,0,0|1,0,1]=4 1469 B15R2.2488 COc1cccc(c1)CNCC2CC2 34a_100000735609_100000688526 [1,0,1,0,0,0|1,0,1]=4 1470 B15R2.2488 CSc1cccc(c1)CNCC2CC2 207a_100000735609_100011935093 [1,0,1,0,0,0|1,0,1]=4 1471 B15R2.2488 CSc1cccc(c1)CNCC2CC2 270004a_100000735609_100011935093 [1,0,1,0,0,0|1,0,1]=4 1472 B15R2.2488 CSc1cccc(c1)CNCC2CC2 62a_100000712819_200000210301 [1,0,1,0,0,0|1,0,1]=4 1473 B15R2.2488 CSc1cccc(c1)CNCC2CC2 62a_200000210301_100000712819 [1,0,1,0,0,0|1,0,1]=4 1474 B15R2.2488 N#Cc1cccc(c1)CNCC2CC2 207a_100000735609_100000241001 [1,0,1,0,0,0|1,0,1]=4 1475 B15R2.2488 N#Cc1cccc(c1)CNCC2CC2 2230a_100000735609_100000233786 [1,0,1,0,0,0|1,0,1]=4 1476 B15R2.2488 N#Cc1cccc(c1)CNCC2CC2 269862a_100000755147_100000741477 [1,0,1,0,0,0|1,0,1]=4 1477 B15R2.2488 N#Cc1cccc(c1)CNCC2CC2 270004a_100000735609_100000241001 [1,0,1,0,0,0|1,0,1]=4 1478 B15R2.2488 N#Cc1cccc(c1)CNCC2CC2 34a_100000735609_100000233786 [1,0,1,0,0,0|1,0,1]=4 1479 B15R2.2488 N#Cc1cccc(c1)CNCC2CC2 34a_100000755147_100000742324 [1,0,1,0,0,0|1,0,1]=4 1480 B15R2.2488 O=Cc1cccc(c1)CNCC2CC2 2230a_100000735609_100009816774 [1,0,1,0,0,0|0,1,0]=3 1481 B15R2.2488 O=Cc1cccc(c1)CNCC2CC2 34a_100000735609_100009816774 [1,0,1,0,0,0|0,1,0]=3 1482 B15R2.2488 O=Cc1cccc(c1)COCC2CC2 34a_100000211283_100009816774 [1,0,1,0,0,0|1,1,0]=4 1483 B15R2.2488 O=Cc1cccc(c1)CSCC2CC2 62a_100000756562_100009816774 [1,0,1,0,0,0|1,1,0]=4 1484 B15R2.2488 O=Cc1cccc(c1)CSCC2CC2 62a_100009816774_100000742324 [1,0,1,0,0,0|1,1,0]=4 1485 B15R2.2488 OCc1cccc(c1)CNCC2CC2 207a_100000735609_200000050894 [1,0,1,0,0,0|0,1,1]=4 1486 B15R2.2488 OCc1cccc(c1)CNCC2CC2 2230a_100000735609_100010188025 [1,0,1,0,0,0|0,1,1]=4 1487 B15R2.2488 OCc1cccc(c1)CNCC2CC2 2230a_100011269909_100000742324 [1,0,1,0,0,0|0,1,1]=4 1488 B15R2.2488 OCc1cccc(c1)CNCC2CC2 269862a_100011269909_100000741477 [1,0,1,0,0,0|0,1,1]=4 1489 B15R2.2488 OCc1cccc(c1)CNCC2CC2 270004a_100000735609_200000050894 [1,0,1,0,0,0|0,1,1]=4 1490 B15R2.2488 OCc1cccc(c1)CNCC2CC2 34a_100000735609_100010188025 [1,0,1,0,0,0|0,1,1]=4 1491 B15R2.2488 OCc1cccc(c1)CNCC2CC2 34a_100011269909_100000742324 [1,0,1,0,0,0|0,1,1]=4 1492 B15R2.2488 [13CH3]Sc1cccc(c1)CNCC2CC2 62a_100000712819_200025704644 [1,0,1,0,0,0|1,0,1]=4 1493 B15R2.2488 [13CH3]Sc1cccc(c1)CNCC2CC2 62a_200025704644_100000712819 [1,0,1,0,0,0|1,0,1]=4 1494 B15R2.4278 BrCCOCc1cccc2c1scc2 34a_100000211926_100009816938 [1,0,1,0,0,0|2,0,0]=4 1495 B15R2.4278 C#CCNCc1cccc2c1scc2 34a_100000212058_100009816938 [1,0,1,0,0,0|0,0,2]=4 1496 B15R2.4278 C=CCNCc1cccc2c1scc2 2230a_100020586998_100009816938 [1,0,1,0,0,0|0,0,2]=4 1497 B15R2.4278 C=CCNCc1cccc2c1scc2 270004a_100020586998_100011934923 [1,0,1,0,0,0|0,0,2]=4 1498 B15R2.4278 CCCC=Cc1cccc2c1scc2 271570a_100016258520_100000766737 [1,0,1,0,0,0|0,0,2]=4 1499 B15R2.4278 CCCCNc1cccc2c1ccs2 34a_100020628958_100000210210 [1,0,1,0,0,0|2,0,0]=4 1500 B15R2.4278 CCCCNc1cccc2c1nco2 34a_100000717946_100000210210 [1,0,1,0,0,0|2,0,0]=4 1501 B15R2.4278 CCCCNc1cccc2c1scn2 34a_100000099145_100000210210 [1,0,1,0,0,0|1,0,0]=3 1502 B15R2.4278 CCCCNc1ccnc2c1scc2 27a_100000102301_100000764135 [1,0,1,0,0,0|1,0,0]=3 1503 B15R2.4278 CCCCNc1nccc2c1scc2 27a_100000102301_100000117209 [1,0,1,0,0,0|1,0,0]=3 1504 B15R2.4278 CCCCNc1ncnc2c1scc2 27a_100000102301_100000234879 [1,0,1,0,0,0|2,0,0]=4 1505 B15R2.4278 CCCCOc1ccnc2c1scc2 34a_100000759877_100000210210 [1,0,1,0,0,0|2,0,0]=4 1506 B15R2.4278 CCCCSc1cccc2c1CC=C2 62a_100000210211_100009844718 [1,0,1,0,0,0|2,0,0]=4 1507 B15R2.4278 CCCCSc1cccc2c1CC=C2 62a_100009844718_100000210210 [1,0,1,0,0,0|2,0,0]=4 1508 B15R2.4278 CCCCSc1cccc2c1[nH]cc2 62a_100000210211_100009813418 [1,0,1,0,0,0|2,0,0]=4 1509 B15R2.4278 CCCCSc1cccc2c1occ2 62a_100000210211_100011935138 [1,0,1,0,0,0|1,1,0]=4 1510 B15R2.4278 CCCCSc1cccc2c1scc2 62a_100000210211_100000766737 [1,0,1,0,0,0|1,0,0]=3 1511 B15R2.4278 CCCCSc1cccc2c1scn2 62a_100000210211_100010246326 [1,0,1,0,0,0|2,0,0]=4 1512 B15R2.4278 CCCCSc1ccnc2c1scc2 62a_100000210211_100000764135 [1,0,1,0,0,0|2,0,0]=4 1513 B15R2.4278 CCCCSc1nccc2c1scc2 62a_100000210211_100000117209 [1,0,1,0,0,0|2,0,0]=4 1514 B15R2.4278 CCCNCc1cccc2c1[nH]cc2 207a_100020643023_100000750900 [1,0,1,0,0,0|1,0,0]=3 1515 B15R2.4278 CCCNCc1cccc2c1[nH]cc2 270004a_100020643023_100000750900 [1,0,1,0,0,0|1,0,0]=3 1516 B15R2.4278 CCCNCc1cccc2c1[nH]cn2 207a_100020643023_100000100021 [1,0,1,0,0,0|2,0,0]=4 1517 B15R2.4278 CCCNCc1cccc2c1[nH]cn2 270004a_100020643023_100000100021 [1,0,1,0,0,0|2,0,0]=4 1518 B15R2.4278 CCCNCc1cccc2c1[nH]nc2 207a_100020643023_100000068382 [1,0,1,0,0,0|2,0,0]=4 1519 B15R2.4278 CCCNCc1cccc2c1[nH]nc2 270004a_100020643023_100000068382 [1,0,1,0,0,0|2,0,0]=4 1520 B15R2.4278 CCCNCc1cccc2c1cc[nH]2 207a_100020643023_100000750904 [1,0,1,0,0,0|2,0,0]=4 1521 B15R2.4278 CCCNCc1cccc2c1ccs2 207a_100020643023_100009860987 [1,0,1,0,0,0|2,0,0]=4 1522 B15R2.4278 CCCNCc1cccc2c1ccs2 270004a_100020643023_100009860987 [1,0,1,0,0,0|2,0,0]=4 1523 B15R2.4278 CCCNCc1cccc2c1occ2 207a_100020643023_100000050329 [1,0,1,0,0,0|0,1,0]=3 1524 B15R2.4278 CCCNCc1cccc2c1occ2 270004a_100020643023_100000050329 [1,0,1,0,0,0|0,1,0]=3 1525 B15R2.4278 CCCNCc1cccc2c1scc2 207a_100020643023_100011934923 [1,0,1,0,0,0|0,0,0]=2 1526 B15R2.4278 CCCNCc1cccc2c1scc2 270004a_100020643023_100011934923 [1,0,1,0,0,0|0,0,0]=2 1527 B15R2.4278 CCCNCc1cccc2n1ncc2 207a_100020643023_100000047034 [1,0,1,0,0,0|2,0,0]=4 1528 B15R2.4278 CCCNCc1cccc2n1ncc2 270004a_100020643023_100000047034 [1,0,1,0,0,0|2,0,0]=4 1529 B15R2.4278 CCCNCc1cccn2c1ncc2 207a_100020643023_100000084367 [1,0,1,0,0,0|2,0,0]=4 1530 B15R2.4278 CCCNCc1cccn2c1ncc2 270004a_100020643023_100000084367 [1,0,1,0,0,0|2,0,0]=4 1531 B15R2.4278 CCCOCc1cccc2c1scc2 34a_100000210258_100009816938 [1,0,1,0,0,0|1,0,0]=3 1532 B15R2.4278 CCCSCc1cccc2c1scc2 62a_100000210303_100009816938 [1,0,1,0,0,0|1,0,0]=3 1533 B15R2.4278 CCOCSc1cccc2c1scc2 62a_100000739092_100000766737 [1,0,1,0,0,0|2,0,0]=4 1534 B15R2.4278 COCCNc1cccc2c1scn2 34a_100000099145_100011201679 [1,0,1,0,0,0|2,0,0]=4 1535 B15R2.4278 COCCNc1ccnc2c1scc2 27a_100000209980_100000764135 [1,0,1,0,0,0|2,0,0]=4 1536 B15R2.4278 COCCNc1nccc2c1scc2 27a_100000209980_100000117209 [1,0,1,0,0,0|2,0,0]=4 1537 B15R2.4278 COCCSc1cccc2c1scc2 62a_100000233755_100000766737 [1,0,1,0,0,0|2,0,0]=4 1538 B15R2.4278 COCSCc1cccc2c1scc2 62a_100000766300_100009816938 [1,0,1,0,0,0|2,0,0]=4 1539 B15R2.4278 CSCCNc1cccc2c1scn2 34a_100000099145_100000212216 [1,0,1,0,0,0|2,0,0]=4 1540 B15R2.4278 CSCCNc1ccnc2c1scc2 27a_100020590264_100000764135 [1,0,1,0,0,0|2,0,0]=4 1541 B15R2.4278 CSCCNc1nccc2c1scc2 27a_100020590264_100000117209 [1,0,1,0,0,0|2,0,0]=4 1542 B15R2.4278 CSCCSc1cccc2c1scc2 62a_100000212216_100000766737 [1,0,1,0,0,0|2,0,0]=4 1543 B15R2.4278 CSCSCc1cccc2c1scc2 62a_100011218213_100009816938 [1,0,1,0,0,0|2,0,0]=4 1544 B15R2.4278 FCCCNc1cccc2c1scn2 34a_100000099145_100011934791 [1,0,1,0,0,0|2,0,0]=4 1545 B15R2.4278 FCCCNc1ccnc2c1scc2 27a_100015189416_100000764135 [1,0,1,0,0,0|2,0,0]=4 1546 B15R2.4278 FCCCNc1nccc2c1scc2 27a_100015189416_100000117209 [1,0,1,0,0,0|2,0,0]=4 1547 B15R2.4278 FCCCSc1cccc2c1scc2 62a_100011934791_100000766737 [1,0,1,0,0,0|2,0,0]=4 1548 B15R2.4278 FCCNCc1cccc2c1scc2 34a_100000724931_100009816938 [1,0,1,0,0,0|1,0,0]=3 1549 B15R2.4278 FCCSCc1cccc2c1scc2 62a_100011217306_100009816938 [1,0,1,0,0,0|2,0,0]=4 1550 B15R2.4278 NCCOCc1cccc2c1scc2 34a_100000210304_100009816938 [1,0,1,0,0,0|2,0,0]=4 1551 B15R2.4278 OCCCNc1cccc2c1scn2 34a_100000099145_100000230001 [1,0,1,0,0,0|2,0,0]=4 1552 B15R2.4278 OCCCNc1ccnc2c1scc2 27a_100000182051_100000764135 [1,0,1,0,0,0|2,0,0]=4 1553 B15R2.4278 OCCCNc1nccc2c1scc2 27a_100000182051_100000117209 [1,0,1,0,0,0|2,0,0]=4 1554 B15R2.4278 OCCCSc1cccc2c1scc2 62a_100011215043_100000766737 [1,0,1,0,0,0|2,0,0]=4 1555 B15R2.4278 OCCNCc1cccc2c1[nH]cc2 207a_100000210304_100000750900 [1,0,1,0,0,0|2,0,0]=4 1556 B15R2.4278 OCCNCc1cccc2c1[nH]cc2 270004a_100000210304_100000750900 [1,0,1,0,0,0|2,0,0]=4 1557 B15R2.4278 OCCNCc1cccc2c1occ2 207a_100000210304_100000050329 [1,0,1,0,0,0|1,1,0]=4 1558 B15R2.4278 OCCNCc1cccc2c1occ2 270004a_100000210304_100000050329 [1,0,1,0,0,0|1,1,0]=4 1559 B15R2.4278 OCCNCc1cccc2c1scc2 207a_100000210304_100011934923 [1,0,1,0,0,0|1,0,0]=3 1560 B15R2.4278 OCCNCc1cccc2c1scc2 2230a_100016997473_100009816938 [1,0,1,0,0,0|1,0,0]=3 1561 B15R2.4278 OCCNCc1cccc2c1scc2 270004a_100000210304_100011934923 [1,0,1,0,0,0|1,0,0]=3 1562 B15R2.4278 OCCNCc1cccc2c1scc2 34a_100016990907_100009816938 [1,0,1,0,0,0|1,0,0]=3 1563 B15R2.4278 OCCSCc1cccc2c1scc2 62a_100000211926_100009816938 [1,0,1,0,0,0|2,0,0]=4 1564 B15R2.24899 O=C(CNCC1CC1)c2sccc2Br 2230a_100000735609_100000740827 [1,0,1,0,0,0|2,0,0]=4 1565 B15R2.24899 O=C(CNCC1CC1)c2sccc2Br 34a_100000735609_100000740827 [1,0,1,0,0,0|2,0,0]=4 1566 B17R2.8178 CCCCCC(=O)c1cccc2c1scc2 1458a_100000766736_100000210326 [0,1,1,0,0,0|1,0,1]=4 1567 B17R2.8178 CCCCNC(=O)c1cccc2c1[nH]cc2 11a_100000102301_100000027293 [0,1,1,0,0,0|1,0,1]=4 1568 B17R2.8178 CCCCNC(=O)c1cccc2c1[nH]cc2 240690a_100000102301_100000027293 [0,1,1,0,0,0|1,0,1]=4 1569 B17R2.8178 CCCCNC(=O)c1cccc2c1[nH]cc2 527a_100000102301_100000027293 [0,1,1,0,0,0|1,0,1]=4 1570 B17R2.8178 CCCCNC(=O)c1cccc2c1occ2 11a_100000102301_100000098497 [0,1,1,0,0,0|0,1,1]=4 1571 B17R2.8178 CCCCNC(=O)c1cccc2c1occ2 1626a_100000102301_100000098497 [0,1,1,0,0,0|0,1,1]=4 1572 B17R2.8178 CCCCNC(=O)c1cccc2c1occ2 240690a_100000102301_100000098497 [0,1,1,0,0,0|0,1,1]=4 1573 B17R2.8178 CCCCNC(=O)c1cccc2c1occ2 527a_100000102301_100000098497 [0,1,1,0,0,0|0,1,1]=4 1574 B17R2.8178 CCCCNC(=O)c1cccc2c1scc2 11a_100000102301_100000766736 [0,1,1,0,0,0|0,0,1]=3 1575 B17R2.8178 CCCCNC(=O)c1cccc2c1scc2 1626a_100000102301_100000766736 [0,1,1,0,0,0|0,0,1]=3 1576 B17R2.8178 CCCCNC(=O)c1cccc2c1scc2 240690a_100000102301_100000766736 [0,1,1,0,0,0|0,0,1]=3 1577 B17R2.8178 CCCCNC(=O)c1cccc2c1scc2 527a_100000102301_100000766736 [0,1,1,0,0,0|0,0,1]=3 1578 B17R2.8178 CCCCNC(=O)c1cccc2c1scn2 11a_100000102301_100009859901 [0,1,1,0,0,0|1,0,1]=4 1579 B17R2.8178 CCCCNC(=O)c1cccc2c1scn2 1626a_100000102301_100009859901 [0,1,1,0,0,0|1,0,1]=4 1580 B17R2.8178 CCCCNC(=O)c1cccc2c1scn2 240690a_100000102301_100009859901 [0,1,1,0,0,0|1,0,1]=4 1581 B17R2.8178 CCCCNC(=O)c1cccc2c1scn2 527a_100000102301_100009859901 [0,1,1,0,0,0|1,0,1]=4 1582 B17R2.8178 CCCCNC(C)c1cccc2c1[nH]nc2 269862a_100000102301_100009882832 [0,1,1,0,0,0|2,0,0]=4 1583 B17R2.8178 CCCNNC(=O)c1cccc2c1scc2 22a_100000740057_100000766736 [0,1,1,0,0,0|1,0,1]=4 1584 B17R2.8178 COCCNC(=O)c1cccc2c1scc2 1626a_100000209980_100000766736 [0,1,1,0,0,0|1,0,1]=4 1585 B17R2.8178 COCCNC(=O)c1cccc2c1scc2 240690a_100000209980_100000766736 [0,1,1,0,0,0|1,0,1]=4 1586 B17R2.8178 COCCNC(=O)c1cccc2c1scc2 527a_100000209980_100000766736 [0,1,1,0,0,0|1,0,1]=4 1587 B17R2.8178 CSCCNC(=O)c1cccc2c1scc2 11a_100020590264_100000766736 [0,1,1,0,0,0|1,0,1]=4 1588 B17R2.8178 CSCCNC(=O)c1cccc2c1scc2 1626a_100020590264_100000766736 [0,1,1,0,0,0|1,0,1]=4 1589 B17R2.8178 CSCCNC(=O)c1cccc2c1scc2 240690a_100020590264_100000766736 [0,1,1,0,0,0|1,0,1]=4 1590 B17R2.8178 CSCCNC(=O)c1cccc2c1scc2 527a_100020590264_100000766736 [0,1,1,0,0,0|1,0,1]=4 1591 B17R2.8178 O=C(NCCCF)c1cccc2c1scc2 11a_100015189416_100000766736 [0,1,1,0,0,0|1,0,1]=4 1592 B17R2.8178 O=C(NCCCF)c1cccc2c1scc2 1626a_100015189416_100000766736 [0,1,1,0,0,0|1,0,1]=4 1593 B17R2.8178 O=C(NCCCF)c1cccc2c1scc2 240690a_100015189416_100000766736 [0,1,1,0,0,0|1,0,1]=4 1594 B17R2.8178 O=C(NCCCF)c1cccc2c1scc2 527a_100015189416_100000766736 [0,1,1,0,0,0|1,0,1]=4 1595 B17R2.8178 O=C(NCCCO)c1cccc2c1scc2 240690a_100000182051_100000766736 [0,1,1,0,0,0|1,0,1]=4 1596 B17R2.8178 O=C(NCCCO)c1cccc2c1scc2 527a_100000182051_100000766736 [0,1,1,0,0,0|1,0,1]=4 1597 B17R2.10878 BrCCCCOCc1cccc2c1scc2 34a_100011216708_100009816938 [0,1,1,0,0,0|1,0,0]=3 1598 B17R2.10878 C#CCCCNCc1cccc2c1[nH]cc2 207a_100000718082_100000750900 [0,1,1,0,0,0|1,0,1]=4 1599 B17R2.10878 C#CCCCNCc1cccc2c1[nH]cc2 270004a_100000718082_100000750900 [0,1,1,0,0,0|1,0,1]=4 1600 B17R2.10878 C#CCCCNCc1cccc2c1occ2 207a_100000718082_100000050329 [0,1,1,0,0,0|0,1,1]=4 1601 B17R2.10878 C#CCCCNCc1cccc2c1occ2 270004a_100000718082_100000050329 [0,1,1,0,0,0|0,1,1]=4 1602 B17R2.10878 C#CCCCNCc1cccc2c1scc2 207a_100000718082_100011934923 [0,1,1,0,0,0|0,0,1]=3 1603 B17R2.10878 C#CCCCNCc1cccc2c1scc2 270004a_100000718082_100011934923 [0,1,1,0,0,0|0,0,1]=3 1604 B17R2.10878 C#CCCCNCc1cccc2c1scc2 34a_100000718082_100009816938 [0,1,1,0,0,0|0,0,1]=3 1605 B17R2.10878 C#CCCCOCc1cccc2c1scc2 34a_100000215630_100009816938 [0,1,1,0,0,0|1,0,1]=4 1606 B17R2.10878 C#CCCCOCc1cccc2c1scc2 7a_100000215630_100009816938 [0,1,1,0,0,0|1,0,1]=4 1607 B17R2.10878 C#CCCCSCc1cccc2c1scc2 62a_100011215417_100009816938 [0,1,1,0,0,0|1,0,1]=4 1608 B17R2.10878 C/C=C/CCOCc1cccc2c1scc2 34a_100016278192_100009816938 [0,1,1,0,0,0|1,0,1]=4 1609 B17R2.10878 C=CCCCNCc1cccc2c1[nH]cc2 270004a_100000700776_100000750900 [0,1,1,0,0,0|1,0,1]=4 1610 B17R2.10878 C=CCCCNCc1cccc2c1occ2 270004a_100000700776_100000050329 [0,1,1,0,0,0|0,1,1]=4 1611 B17R2.10878 C=CCCCNCc1cccc2c1scc2 2230a_100000700776_100009816938 [0,1,1,0,0,0|0,0,1]=3 1612 B17R2.10878 C=CCCCNCc1cccc2c1scc2 270004a_100000700776_100011934923 [0,1,1,0,0,0|0,0,1]=3 1613 B17R2.10878 C=CCCCNCc1cccc2c1scc2 34a_100000700776_100009816938 [0,1,1,0,0,0|0,0,1]=3 1614 B17R2.10878 C=CCCCOCc1cccc2c1scc2 34a_100000758997_100009816938 [0,1,1,0,0,0|1,0,1]=4 1615 B17R2.10878 C=CCCCOCc1cccc2c1scc2 7a_100000758997_100009816938 [0,1,1,0,0,0|1,0,1]=4 1616 B17R2.10878 C=CCCCSCc1cccc2c1scc2 62a_100011713584_100009816938 [0,1,1,0,0,0|1,0,1]=4 1617 B17R2.10878 CC#CCCOCc1cccc2c1scc2 34a_100000750427_100009816938 [0,1,1,0,0,0|1,0,1]=4 1618 B17R2.10878 CC/C=C\COCc1cccc2c1scc2 34a_100016268518_100009816938 [0,1,1,0,0,0|1,0,1]=4 1619 B17R2.10878 CC/C=C\CSCc1cccc2c1scc2 62a_100103147603_100009816938 [0,1,1,0,0,0|1,0,1]=4 1620 B17R2.10878 CCC#CCOCc1cccc2c1scc2 34a_100000032950_100009816938 [0,1,1,0,0,0|1,0,1]=4 1621 B17R2.10878 CCC#CCSCc1cccc2c1scc2 62a_100009813939_100009816938 [0,1,1,0,0,0|1,0,1]=4 1622 B17R2.10878 CCCCCC=Cc1cccc2c1scc2 271570a_100000062253_100000766737 [0,1,1,0,0,0|1,0,1]=4 1623 B17R2.10878 CCCCCCNc1cccc2c1scn2 34a_100000099145_100000210314 [0,1,1,0,0,0|2,0,0]=4 1624 B17R2.10878 CCCCCCNc1ccnc2c1scc2 27a_100000210581_100000764135 [0,1,1,0,0,0|2,0,0]=4 1625 B17R2.10878 CCCCCCNc1nccc2c1scc2 27a_100000210581_100000117209 [0,1,1,0,0,0|2,0,0]=4 1626 B17R2.10878 CCCCCCOc1ccnc2c1scc2 34a_100000759877_100000210314 [0,1,1,0,0,0|2,0,0]=4 1627 B17R2.10878 CCCCCCSc1cccc2c1CC=C2 62a_100000210314_100009844718 [0,1,1,0,0,0|2,0,0]=4 1628 B17R2.10878 CCCCCCSc1cccc2c1CC=C2 62a_100009844718_100000210757 [0,1,1,0,0,0|2,0,0]=4 1629 B17R2.10878 CCCCCCSc1cccc2c1[nH]cc2 62a_100000210314_100009813418 [0,1,1,0,0,0|2,0,0]=4 1630 B17R2.10878 CCCCCCSc1cccc2c1occ2 62a_100000210314_100011935138 [0,1,1,0,0,0|1,1,0]=4 1631 B17R2.10878 CCCCCCSc1cccc2c1scc2 62a_100000210314_100000766737 [0,1,1,0,0,0|1,0,0]=3 1632 B17R2.10878 CCCCCCSc1cccc2c1scn2 62a_100000210314_100010246326 [0,1,1,0,0,0|2,0,0]=4 1633 B17R2.10878 CCCCCCSc1ccnc2c1scc2 62a_100000210314_100000764135 [0,1,1,0,0,0|2,0,0]=4 1634 B17R2.10878 CCCCCCSc1nccc2c1scc2 62a_100000210314_100000117209 [0,1,1,0,0,0|2,0,0]=4 1635 B17R2.10878 CCCCCNCc1cccc2c1[nH]cc2 207a_100000209983_100000750900 [0,1,1,0,0,0|1,0,0]=3 1636 B17R2.10878 CCCCCNCc1cccc2c1[nH]cc2 270004a_100000209983_100000750900 [0,1,1,0,0,0|1,0,0]=3 1637 B17R2.10878 CCCCCNCc1cccc2c1[nH]cn2 207a_100000209983_100000100021 [0,1,1,0,0,0|2,0,0]=4 1638 B17R2.10878 CCCCCNCc1cccc2c1[nH]cn2 270004a_100000209983_100000100021 [0,1,1,0,0,0|2,0,0]=4 1639 B17R2.10878 CCCCCNCc1cccc2c1[nH]nc2 207a_100000209983_100000068382 [0,1,1,0,0,0|2,0,0]=4 1640 B17R2.10878 CCCCCNCc1cccc2c1[nH]nc2 2230a_100000209983_100000099550 [0,1,1,0,0,0|2,0,0]=4 1641 B17R2.10878 CCCCCNCc1cccc2c1[nH]nc2 270004a_100000209983_100000068382 [0,1,1,0,0,0|2,0,0]=4 1642 B17R2.10878 CCCCCNCc1cccc2c1cc[nH]2 207a_100000209983_100000750904 [0,1,1,0,0,0|2,0,0]=4 1643 B17R2.10878 CCCCCNCc1cccc2c1ccs2 207a_100000209983_100009860987 [0,1,1,0,0,0|2,0,0]=4 1644 B17R2.10878 CCCCCNCc1cccc2c1ccs2 270004a_100000209983_100009860987 [0,1,1,0,0,0|2,0,0]=4 1645 B17R2.10878 CCCCCNCc1cccc2c1ncs2 2230a_100000209983_100010883896 [0,1,1,0,0,0|2,0,0]=4 1646 B17R2.10878 CCCCCNCc1cccc2c1occ2 207a_100000209983_100000050329 [0,1,1,0,0,0|0,1,0]=3 1647 B17R2.10878 CCCCCNCc1cccc2c1occ2 270004a_100000209983_100000050329 [0,1,1,0,0,0|0,1,0]=3 1648 B17R2.10878 CCCCCNCc1cccc2c1scc2 207a_100000209983_100011934923 [0,1,1,0,0,0|0,0,0]=2 1649 B17R2.10878 CCCCCNCc1cccc2c1scc2 2230a_100000209983_100009816938 [0,1,1,0,0,0|0,0,0]=2 1650 B17R2.10878 CCCCCNCc1cccc2c1scc2 270004a_100000209983_100011934923 [0,1,1,0,0,0|0,0,0]=2 1651 B17R2.10878 CCCCCNCc1cccc2n1ncc2 207a_100000209983_100000047034 [0,1,1,0,0,0|2,0,0]=4 1652 B17R2.10878 CCCCCNCc1cccc2n1ncc2 270004a_100000209983_100000047034 [0,1,1,0,0,0|2,0,0]=4 1653 B17R2.10878 CCCCCNCc1cccn2c1ncc2 207a_100000209983_100000084367 [0,1,1,0,0,0|2,0,0]=4 1654 B17R2.10878 CCCCCNCc1cccn2c1ncc2 270004a_100000209983_100000084367 [0,1,1,0,0,0|2,0,0]=4 1655 B17R2.10878 CCCCCOCc1cccc2c1scc2 34a_100000210253_100009816938 [0,1,1,0,0,0|1,0,0]=3 1656 B17R2.10878 CCCCCOCc1cccc2c1scc2 7a_100000210253_100009816938 [0,1,1,0,0,0|1,0,0]=3 1657 B17R2.10878 CCCCCSCc1cccc2c1scc2 62a_100000210326_100009816938 [0,1,1,0,0,0|1,0,0]=3 1658 B17R2.10878 CCCCNN=Cc1cccc2c1[nH]cc2 4a_100025702795_100000750900 [0,1,1,0,0,0|1,0,1]=4 1659 B17R2.10878 CCCCNN=Cc1cccc2c1occ2 4a_100025702795_100000050329 [0,1,1,0,0,0|0,1,1]=4 1660 B17R2.10878 CCCCNN=Cc1cccc2c1scc2 4a_100025702795_100011934923 [0,1,1,0,0,0|0,0,1]=3 1661 B17R2.10878 CCCCOCNc1cccc2c1scn2 34a_100000099145_100011995733 [0,1,1,0,0,0|2,0,0]=4 1662 B17R2.10878 CCCCOCOc1ccnc2c1scc2 34a_100000759877_100011995733 [0,1,1,0,0,0|2,0,0]=4 1663 B17R2.10878 CCCCOCSc1cccc2c1CC=C2 62a_100009844718_100011995733 [0,1,1,0,0,0|2,0,0]=4 1664 B17R2.10878 CCCCOCSc1cccc2c1CC=C2 62a_100011995733_100009844718 [0,1,1,0,0,0|2,0,0]=4 1665 B17R2.10878 CCCCOCSc1cccc2c1[nH]cc2 62a_100011995733_100009813418 [0,1,1,0,0,0|2,0,0]=4 1666 B17R2.10878 CCCCOCSc1cccc2c1occ2 62a_100011995733_100011935138 [0,1,1,0,0,0|1,1,0]=4 1667 B17R2.10878 CCCCOCSc1cccc2c1scc2 62a_100011995733_100000766737 [0,1,1,0,0,0|1,0,0]=3 1668 B17R2.10878 CCCCOCSc1cccc2c1scn2 62a_100011995733_100010246326 [0,1,1,0,0,0|2,0,0]=4 1669 B17R2.10878 CCCCOCSc1ccnc2c1scc2 62a_100011995733_100000764135 [0,1,1,0,0,0|2,0,0]=4 1670 B17R2.10878 CCCCOCSc1nccc2c1scc2 62a_100011995733_100000117209 [0,1,1,0,0,0|2,0,0]=4 1671 B17R2.10878 CCCOCCSc1cccc2c1scc2 62a_100011215938_100000766737 [0,1,1,0,0,0|2,0,0]=4 1672 B17R2.10878 CCOCCCSc1cccc2c1scc2 62a_100012232248_100000766737 [0,1,1,0,0,0|2,0,0]=4 1673 B17R2.10878 CCOCCNCc1cccc2c1[nH]cc2 207a_100011200944_100000750900 [0,1,1,0,0,0|1,0,0]=3 1674 B17R2.10878 CCOCCNCc1cccc2c1[nH]cc2 270004a_102516460346_100000750900 [0,1,1,0,0,0|1,0,0]=3 1675 B17R2.10878 CCOCCNCc1cccc2c1[nH]cn2 207a_100011200944_100000100021 [0,1,1,0,0,0|2,0,0]=4 1676 B17R2.10878 CCOCCNCc1cccc2c1[nH]cn2 270004a_102516460346_100000100021 [0,1,1,0,0,0|2,0,0]=4 1677 B17R2.10878 CCOCCNCc1cccc2c1[nH]nc2 207a_100011200944_100000068382 [0,1,1,0,0,0|2,0,0]=4 1678 B17R2.10878 CCOCCNCc1cccc2c1[nH]nc2 2230a_102516460346_100000099550 [0,1,1,0,0,0|2,0,0]=4 1679 B17R2.10878 CCOCCNCc1cccc2c1[nH]nc2 270004a_102516460346_100000068382 [0,1,1,0,0,0|2,0,0]=4 1680 B17R2.10878 CCOCCNCc1cccc2c1[nH]nc2 34a_102516460346_100000099550 [0,1,1,0,0,0|2,0,0]=4 1681 B17R2.10878 CCOCCNCc1cccc2c1cc[nH]2 207a_100011200944_100000750904 [0,1,1,0,0,0|2,0,0]=4 1682 B17R2.10878 CCOCCNCc1cccc2c1ccs2 207a_100011200944_100009860987 [0,1,1,0,0,0|2,0,0]=4 1683 B17R2.10878 CCOCCNCc1cccc2c1ccs2 270004a_102516460346_100009860987 [0,1,1,0,0,0|2,0,0]=4 1684 B17R2.10878 CCOCCNCc1cccc2c1ncs2 2230a_102516460346_100010883896 [0,1,1,0,0,0|2,0,0]=4 1685 B17R2.10878 CCOCCNCc1cccc2c1ncs2 34a_102516460346_100010883896 [0,1,1,0,0,0|2,0,0]=4 1686 B17R2.10878 CCOCCNCc1cccc2c1occ2 207a_100011200944_100000050329 [0,1,1,0,0,0|0,1,0]=3 1687 B17R2.10878 CCOCCNCc1cccc2c1occ2 270004a_102516460346_100000050329 [0,1,1,0,0,0|0,1,0]=3 1688 B17R2.10878 CCOCCNCc1cccc2c1scc2 207a_100011200944_100011934923 [0,1,1,0,0,0|0,0,0]=2 1689 B17R2.10878 CCOCCNCc1cccc2c1scc2 2230a_102516460346_100009816938 [0,1,1,0,0,0|0,0,0]=2 1690 B17R2.10878 CCOCCNCc1cccc2c1scc2 270004a_102516460346_100011934923 [0,1,1,0,0,0|0,0,0]=2 1691 B17R2.10878 CCOCCNCc1cccc2c1scc2 34a_102516460346_100009816938 [0,1,1,0,0,0|0,0,0]=2 1692 B17R2.10878 CCOCCNCc1cccc2n1ncc2 207a_100011200944_100000047034 [0,1,1,0,0,0|2,0,0]=4 1693 B17R2.10878 CCOCCNCc1cccc2n1ncc2 270004a_102516460346_100000047034 [0,1,1,0,0,0|2,0,0]=4 1694 B17R2.10878 CCOCCNCc1cccn2c1ncc2 207a_100011200944_100000084367 [0,1,1,0,0,0|2,0,0]=4 1695 B17R2.10878 CCOCCNCc1cccn2c1ncc2 270004a_102516460346_100000084367 [0,1,1,0,0,0|2,0,0]=4 1696 B17R2.10878 CCOCCOCc1cccc2c1scc2 34a_100000210136_100009816938 [0,1,1,0,0,0|1,0,0]=3 1697 B17R2.10878 CCOCCOCc1cccc2c1scc2 7a_100000210136_100009816938 [0,1,1,0,0,0|1,0,0]=3 1698 B17R2.10878 CCOCCSCc1cccc2c1scc2 62a_100000210147_100009816938 [0,1,1,0,0,0|1,0,0]=3 1699 B17R2.10878 CCSCCNCc1cccc2c1[nH]cc2 207a_100000106463_100000750900 [0,1,1,0,0,0|1,0,0]=3 1700 B17R2.10878 CCSCCNCc1cccc2c1[nH]cc2 270004a_100000106463_100000750900 [0,1,1,0,0,0|1,0,0]=3 1701 B17R2.10878 CCSCCNCc1cccc2c1[nH]cn2 207a_100000106463_100000100021 [0,1,1,0,0,0|2,0,0]=4 1702 B17R2.10878 CCSCCNCc1cccc2c1[nH]cn2 270004a_100000106463_100000100021 [0,1,1,0,0,0|2,0,0]=4 1703 B17R2.10878 CCSCCNCc1cccc2c1[nH]nc2 207a_100000106463_100000068382 [0,1,1,0,0,0|2,0,0]=4 1704 B17R2.10878 CCSCCNCc1cccc2c1[nH]nc2 2230a_100000106463_100000099550 [0,1,1,0,0,0|2,0,0]=4 1705 B17R2.10878 CCSCCNCc1cccc2c1[nH]nc2 270004a_100000106463_100000068382 [0,1,1,0,0,0|2,0,0]=4 1706 B17R2.10878 CCSCCNCc1cccc2c1cc[nH]2 207a_100000106463_100000750904 [0,1,1,0,0,0|2,0,0]=4 1707 B17R2.10878 CCSCCNCc1cccc2c1ccs2 207a_100000106463_100009860987 [0,1,1,0,0,0|2,0,0]=4 1708 B17R2.10878 CCSCCNCc1cccc2c1ccs2 270004a_100000106463_100009860987 [0,1,1,0,0,0|2,0,0]=4 1709 B17R2.10878 CCSCCNCc1cccc2c1ncs2 2230a_100000106463_100010883896 [0,1,1,0,0,0|2,0,0]=4 1710 B17R2.10878 CCSCCNCc1cccc2c1occ2 207a_100000106463_100000050329 [0,1,1,0,0,0|0,1,0]=3 1711 B17R2.10878 CCSCCNCc1cccc2c1occ2 270004a_100000106463_100000050329 [0,1,1,0,0,0|0,1,0]=3 1712 B17R2.10878 CCSCCNCc1cccc2c1scc2 207a_100000106463_100011934923 [0,1,1,0,0,0|0,0,0]=2 1713 B17R2.10878 CCSCCNCc1cccc2c1scc2 2230a_100000106463_100009816938 [0,1,1,0,0,0|0,0,0]=2 1714 B17R2.10878 CCSCCNCc1cccc2c1scc2 270004a_100000106463_100011934923 [0,1,1,0,0,0|0,0,0]=2 1715 B17R2.10878 CCSCCNCc1cccc2n1ncc2 207a_100000106463_100000047034 [0,1,1,0,0,0|2,0,0]=4 1716 B17R2.10878 CCSCCNCc1cccc2n1ncc2 270004a_100000106463_100000047034 [0,1,1,0,0,0|2,0,0]=4 1717 B17R2.10878 CCSCCNCc1cccn2c1ncc2 207a_100000106463_100000084367 [0,1,1,0,0,0|2,0,0]=4 1718 B17R2.10878 CCSCCNCc1cccn2c1ncc2 270004a_100000106463_100000084367 [0,1,1,0,0,0|2,0,0]=4 1719 B17R2.10878 CCSCCOCc1cccc2c1scc2 34a_100000212035_100009816938 [0,1,1,0,0,0|1,0,0]=3 1720 B17R2.10878 CCSCCOCc1cccc2c1scc2 7a_100000212035_100009816938 [0,1,1,0,0,0|1,0,0]=3 1721 B17R2.10878 CCSCCSCc1cccc2c1scc2 62a_100000757381_100009816938 [0,1,1,0,0,0|1,0,0]=3 1722 B17R2.10878 CNCCCOCc1cccc2c1scc2 34a_100000213112_100009816938 [0,1,1,0,0,0|1,0,0]=3 1723 B17R2.10878 COCCCCSc1cccc2c1scc2 62a_100000730899_100000766737 [0,1,1,0,0,0|2,0,0]=4 1724 B17R2.10878 COCCCNCc1cccc2c1[nH]cc2 207a_100150723488_100000750900 [0,1,1,0,0,0|1,0,0]=3 1725 B17R2.10878 COCCCNCc1cccc2c1[nH]cc2 270004a_100150723488_100000750900 [0,1,1,0,0,0|1,0,0]=3 1726 B17R2.10878 COCCCNCc1cccc2c1[nH]cn2 207a_100150723488_100000100021 [0,1,1,0,0,0|2,0,0]=4 1727 B17R2.10878 COCCCNCc1cccc2c1[nH]cn2 270004a_100150723488_100000100021 [0,1,1,0,0,0|2,0,0]=4 1728 B17R2.10878 COCCCNCc1cccc2c1[nH]nc2 207a_100150723488_100000068382 [0,1,1,0,0,0|2,0,0]=4 1729 B17R2.10878 COCCCNCc1cccc2c1[nH]nc2 270004a_100150723488_100000068382 [0,1,1,0,0,0|2,0,0]=4 1730 B17R2.10878 COCCCNCc1cccc2c1[nH]nc2 34a_100150723488_100000099550 [0,1,1,0,0,0|2,0,0]=4 1731 B17R2.10878 COCCCNCc1cccc2c1cc[nH]2 207a_100150723488_100000750904 [0,1,1,0,0,0|2,0,0]=4 1732 B17R2.10878 COCCCNCc1cccc2c1ccs2 207a_100150723488_100009860987 [0,1,1,0,0,0|2,0,0]=4 1733 B17R2.10878 COCCCNCc1cccc2c1ccs2 270004a_100150723488_100009860987 [0,1,1,0,0,0|2,0,0]=4 1734 B17R2.10878 COCCCNCc1cccc2c1ncs2 34a_100150723488_100010883896 [0,1,1,0,0,0|2,0,0]=4 1735 B17R2.10878 COCCCNCc1cccc2c1occ2 207a_100150723488_100000050329 [0,1,1,0,0,0|0,1,0]=3 1736 B17R2.10878 COCCCNCc1cccc2c1occ2 270004a_100150723488_100000050329 [0,1,1,0,0,0|0,1,0]=3 1737 B17R2.10878 COCCCNCc1cccc2c1scc2 207a_100150723488_100011934923 [0,1,1,0,0,0|0,0,0]=2 1738 B17R2.10878 COCCCNCc1cccc2c1scc2 270004a_100150723488_100011934923 [0,1,1,0,0,0|0,0,0]=2 1739 B17R2.10878 COCCCNCc1cccc2c1scc2 34a_100150723488_100009816938 [0,1,1,0,0,0|0,0,0]=2 1740 B17R2.10878 COCCCNCc1cccc2n1ncc2 207a_100150723488_100000047034 [0,1,1,0,0,0|2,0,0]=4 1741 B17R2.10878 COCCCNCc1cccc2n1ncc2 270004a_100150723488_100000047034 [0,1,1,0,0,0|2,0,0]=4 1742 B17R2.10878 COCCCNCc1cccn2c1ncc2 207a_100150723488_100000084367 [0,1,1,0,0,0|2,0,0]=4 1743 B17R2.10878 COCCCNCc1cccn2c1ncc2 270004a_100150723488_100000084367 [0,1,1,0,0,0|2,0,0]=4 1744 B17R2.10878 COCCCOCc1cccc2c1scc2 34a_100000740835_100009816938 [0,1,1,0,0,0|1,0,0]=3 1745 B17R2.10878 COCCCSCc1cccc2c1scc2 62a_100000709357_100009816938 [0,1,1,0,0,0|1,0,0]=3 1746 B17R2.10878 COCCOCSc1cccc2c1scc2 62a_100000231047_100000766737 [0,1,1,0,0,0|2,0,0]=4 1747 B17R2.10878 CSCCCNCc1cccc2c1[nH]cc2 207a_100000749238_100000750900 [0,1,1,0,0,0|1,0,0]=3 1748 B17R2.10878 CSCCCNCc1cccc2c1[nH]cc2 270004a_100000749238_100000750900 [0,1,1,0,0,0|1,0,0]=3 1749 B17R2.10878 CSCCCNCc1cccc2c1[nH]cn2 207a_100000749238_100000100021 [0,1,1,0,0,0|2,0,0]=4 1750 B17R2.10878 CSCCCNCc1cccc2c1[nH]cn2 270004a_100000749238_100000100021 [0,1,1,0,0,0|2,0,0]=4 1751 B17R2.10878 CSCCCNCc1cccc2c1[nH]nc2 207a_100000749238_100000068382 [0,1,1,0,0,0|2,0,0]=4 1752 B17R2.10878 CSCCCNCc1cccc2c1[nH]nc2 2230a_100000749238_100000099550 [0,1,1,0,0,0|2,0,0]=4 1753 B17R2.10878 CSCCCNCc1cccc2c1[nH]nc2 270004a_100000749238_100000068382 [0,1,1,0,0,0|2,0,0]=4 1754 B17R2.10878 CSCCCNCc1cccc2c1cc[nH]2 207a_100000749238_100000750904 [0,1,1,0,0,0|2,0,0]=4 1755 B17R2.10878 CSCCCNCc1cccc2c1ccs2 207a_100000749238_100009860987 [0,1,1,0,0,0|2,0,0]=4 1756 B17R2.10878 CSCCCNCc1cccc2c1ccs2 270004a_100000749238_100009860987 [0,1,1,0,0,0|2,0,0]=4 1757 B17R2.10878 CSCCCNCc1cccc2c1ncs2 2230a_100000749238_100010883896 [0,1,1,0,0,0|2,0,0]=4 1758 B17R2.10878 CSCCCNCc1cccc2c1occ2 207a_100000749238_100000050329 [0,1,1,0,0,0|0,1,0]=3 1759 B17R2.10878 CSCCCNCc1cccc2c1occ2 270004a_100000749238_100000050329 [0,1,1,0,0,0|0,1,0]=3 1760 B17R2.10878 CSCCCNCc1cccc2c1scc2 207a_100000749238_100011934923 [0,1,1,0,0,0|0,0,0]=2 1761 B17R2.10878 CSCCCNCc1cccc2c1scc2 2230a_100000749238_100009816938 [0,1,1,0,0,0|0,0,0]=2 1762 B17R2.10878 CSCCCNCc1cccc2c1scc2 270004a_100000749238_100011934923 [0,1,1,0,0,0|0,0,0]=2 1763 B17R2.10878 CSCCCNCc1cccc2n1ncc2 207a_100000749238_100000047034 [0,1,1,0,0,0|2,0,0]=4 1764 B17R2.10878 CSCCCNCc1cccc2n1ncc2 270004a_100000749238_100000047034 [0,1,1,0,0,0|2,0,0]=4 1765 B17R2.10878 CSCCCNCc1cccn2c1ncc2 207a_100000749238_100000084367 [0,1,1,0,0,0|2,0,0]=4 1766 B17R2.10878 CSCCCNCc1cccn2c1ncc2 270004a_100000749238_100000084367 [0,1,1,0,0,0|2,0,0]=4 1767 B17R2.10878 CSCCCOCc1cccc2c1scc2 34a_100000690336_100009816938 [0,1,1,0,0,0|1,0,0]=3 1768 B17R2.10878 CSCCCOCc1cccc2c1scc2 7a_100000690336_100009816938 [0,1,1,0,0,0|1,0,0]=3 1769 B17R2.10878 ClCCCCOCc1cccc2c1scc2 34a_100000210776_100009816938 [0,1,1,0,0,0|1,0,0]=3 1770 B17R2.10878 ClCCCCOCc1cccc2c1scc2 7a_100000210776_100009816938 [0,1,1,0,0,0|1,0,0]=3 1771 B17R2.10878 FCCCCCSc1cccc2c1scc2 62a_100000729378_100000766737 [0,1,1,0,0,0|2,0,0]=4 1772 B17R2.10878 FCCCCOCc1cccc2c1scc2 34a_100011995726_100009816938 [0,1,1,0,0,0|1,0,0]=3 1773 B17R2.10878 FCCCCOCc1cccc2c1scc2 7a_100011995726_100009816938 [0,1,1,0,0,0|1,0,0]=3 1774 B17R2.10878 FCCCCSCc1cccc2c1scc2 62a_100000729493_100009816938 [0,1,1,0,0,0|1,0,0]=3 1775 B17R2.10878 ICCCCOCc1cccc2c1scc2 34a_200012148704_100009816938 [0,1,1,0,0,0|1,0,0]=3 1776 B17R2.10878 N#CCCCSCc1cccc2c1scc2 62a_100000687738_100009816938 [0,1,1,0,0,0|1,0,1]=4 1777 B17R2.10878 NCCCCOCc1cccc2c1scc2 34a_100000750430_100009816938 [0,1,1,0,0,0|1,0,0]=3 1778 B17R2.10878 O=CCCCSCc1cccc2c1scc2 62a_200011292268_100009816938 [0,1,1,0,0,0|1,0,1]=4 1779 B17R2.10878 OCCCCCSc1cccc2c1scc2 62a_100000746330_100000766737 [0,1,1,0,0,0|2,0,0]=4 1780 B17R2.10878 OCCCCNCc1cccc2c1[nH]cc2 207a_100000750430_100000750900 [0,1,1,0,0,0|1,0,0]=3 1781 B17R2.10878 OCCCCNCc1cccc2c1[nH]cc2 270004a_100000750430_100000750900 [0,1,1,0,0,0|1,0,0]=3 1782 B17R2.10878 OCCCCNCc1cccc2c1[nH]cn2 207a_100000750430_100000100021 [0,1,1,0,0,0|2,0,0]=4 1783 B17R2.10878 OCCCCNCc1cccc2c1[nH]cn2 270004a_100000750430_100000100021 [0,1,1,0,0,0|2,0,0]=4 1784 B17R2.10878 OCCCCNCc1cccc2c1[nH]nc2 207a_100000750430_100000068382 [0,1,1,0,0,0|2,0,0]=4 1785 B17R2.10878 OCCCCNCc1cccc2c1[nH]nc2 2230a_100000750430_100000099550 [0,1,1,0,0,0|2,0,0]=4 1786 B17R2.10878 OCCCCNCc1cccc2c1[nH]nc2 270004a_100000750430_100000068382 [0,1,1,0,0,0|2,0,0]=4 1787 B17R2.10878 OCCCCNCc1cccc2c1[nH]nc2 34a_100000750430_100000099550 [0,1,1,0,0,0|2,0,0]=4 1788 B17R2.10878 OCCCCNCc1cccc2c1cc[nH]2 207a_100000750430_100000750904 [0,1,1,0,0,0|2,0,0]=4 1789 B17R2.10878 OCCCCNCc1cccc2c1ccs2 207a_100000750430_100009860987 [0,1,1,0,0,0|2,0,0]=4 1790 B17R2.10878 OCCCCNCc1cccc2c1ccs2 270004a_100000750430_100009860987 [0,1,1,0,0,0|2,0,0]=4 1791 B17R2.10878 OCCCCNCc1cccc2c1ncs2 2230a_100000750430_100010883896 [0,1,1,0,0,0|2,0,0]=4 1792 B17R2.10878 OCCCCNCc1cccc2c1ncs2 34a_100000750430_100010883896 [0,1,1,0,0,0|2,0,0]=4 1793 B17R2.10878 OCCCCNCc1cccc2c1occ2 207a_100000750430_100000050329 [0,1,1,0,0,0|0,1,0]=3 1794 B17R2.10878 OCCCCNCc1cccc2c1occ2 270004a_100000750430_100000050329 [0,1,1,0,0,0|0,1,0]=3 1795 B17R2.10878 OCCCCNCc1cccc2c1scc2 207a_100000750430_100011934923 [0,1,1,0,0,0|0,0,0]=2 1796 B17R2.10878 OCCCCNCc1cccc2c1scc2 2230a_100000750430_100009816938 [0,1,1,0,0,0|0,0,0]=2 1797 B17R2.10878 OCCCCNCc1cccc2c1scc2 270004a_100000750430_100011934923 [0,1,1,0,0,0|0,0,0]=2 1798 B17R2.10878 OCCCCNCc1cccc2c1scc2 34a_100000750430_100009816938 [0,1,1,0,0,0|0,0,0]=2 1799 B17R2.10878 OCCCCNCc1cccc2n1ncc2 207a_100000750430_100000047034 [0,1,1,0,0,0|2,0,0]=4 1800 B17R2.10878 OCCCCNCc1cccc2n1ncc2 270004a_100000750430_100000047034 [0,1,1,0,0,0|2,0,0]=4 1801 B17R2.10878 OCCCCNCc1cccn2c1ncc2 207a_100000750430_100000084367 [0,1,1,0,0,0|2,0,0]=4 1802 B17R2.10878 OCCCCNCc1cccn2c1ncc2 270004a_100000750430_100000084367 [0,1,1,0,0,0|2,0,0]=4 1803 B17R2.10878 OCCCCSCc1cccc2c1scc2 62a_100000210776_100009816938 [0,1,1,0,0,0|1,0,0]=3 1804 B17R2.19045 CCCCNCc1cccc2c1ccn2C 270004a_100000102301_100011934855 [0,1,1,0,0,0|2,0,0]=4 1805 B17R2.19045 CCCCNCc1cccc2c1ccn2C 34a_100011934857_100000210210 [0,1,1,0,0,0|2,0,0]=4 1806 B17R2.19053 CCCCC=Cc1cccc2c1sc(c2)N 271570a_100016275911_100010090802 [0,1,1,0,0,0|1,0,1]=4 1807 B17R2.19053 CCCCCSc1cccc2c1sc(c2)N 62a_100010090802_100000210326 [0,1,1,0,0,0|2,0,0]=4 1808 B17R2.19054 CCCCNCc1cccc2c1n(cc2)C 207a_100000102301_100012002307 [0,1,1,0,0,0|1,0,0]=3 1809 B17R2.19054 CCCCNCc1cccc2c1n(cc2)C 270004a_100000102301_100012002307 [0,1,1,0,0,0|1,0,0]=3 1810 B17R2.19054 CCCCNCc1cccc2c1n(cc2)C 34a_100011935268_100000210210 [0,1,1,0,0,0|1,0,0]=3 1811 B17R2.19054 CCCCNCc1cccc2c1n(nc2)C 207a_100000102301_100000102508 [0,1,1,0,0,0|2,0,0]=4 1812 B17R2.19054 CCCCNCc1cccc2c1n(nc2)C 270004a_100000102301_100000102508 [0,1,1,0,0,0|2,0,0]=4 1813 B17R2.19054 CCCCNCc1cccc2c1n(nc2)C 34a_102516457515_100000210210 [0,1,1,0,0,0|2,0,0]=4 1814 B17R2.19054 COCCNCc1cccc2c1n(cc2)C 207a_100000209980_100012002307 [0,1,1,0,0,0|2,0,0]=4 1815 B17R2.19054 COCCNCc1cccc2c1n(cc2)C 270004a_100000209980_100012002307 [0,1,1,0,0,0|2,0,0]=4 1816 B17R2.19054 COCCNCc1cccc2c1n(cc2)C 34a_100011935268_100011201679 [0,1,1,0,0,0|2,0,0]=4 1817 B17R2.19054 CSCCNCc1cccc2c1n(cc2)C 207a_100020590264_100012002307 [0,1,1,0,0,0|2,0,0]=4 1818 B17R2.19054 CSCCNCc1cccc2c1n(cc2)C 270004a_100020590264_100012002307 [0,1,1,0,0,0|2,0,0]=4 1819 B17R2.19054 CSCCNCc1cccc2c1n(cc2)C 34a_100011935268_100000212216 [0,1,1,0,0,0|2,0,0]=4 1820 B17R2.19054 Cn1ccc2c1c(ccc2)CNCCCF 207a_100015189416_100012002307 [0,1,1,0,0,0|2,0,0]=4 1821 B17R2.19054 Cn1ccc2c1c(ccc2)CNCCCF 270004a_100015189416_100012002307 [0,1,1,0,0,0|2,0,0]=4 1822 B17R2.19054 Cn1ccc2c1c(ccc2)CNCCCF 34a_100011935268_100011934791 [0,1,1,0,0,0|2,0,0]=4 1823 B17R2.19054 Cn1ccc2c1c(ccc2)CNCCCO 207a_100000182051_100012002307 [0,1,1,0,0,0|2,0,0]=4 1824 B17R2.19054 Cn1ccc2c1c(ccc2)CNCCCO 270004a_100000182051_100012002307 [0,1,1,0,0,0|2,0,0]=4 1825 B17R2.19054 Cn1ccc2c1c(ccc2)CNCCCO 34a_100011935268_100000230001 [0,1,1,0,0,0|2,0,0]=4 1826 B17R2.44757 C=C(C)CCOCc1cccc2c1scc2 34a_100000764851_100009816938 [0,1,1,0,0,0|1,0,1]=4 1827 B17R2.44757 C=C(C)CCSCc1cccc2c1scc2 62a_100000730704_100009816938 [0,1,1,0,0,0|1,0,1]=4 1828 B17R2.44757 CC(=CCNCc1cccc2c1scc2)C 270004a_100000718196_100011934923 [0,1,1,0,0,0|0,0,2]=4 1829 B17R2.44757 CC(=CCNCc1cccc2c1scc2)C 34a_100000718196_100009816938 [0,1,1,0,0,0|0,0,2]=4 1830 B17R2.44757 CC(=O)CCOCc1cccc2c1scc2 34a_100000759926_100009816938 [0,1,1,0,0,0|1,0,1]=4 1831 B17R2.44757 CC(=O)CCOCc1cccc2c1scc2 7a_100000759926_100009816938 [0,1,1,0,0,0|1,0,1]=4 1832 B17R2.44757 CC(=O)CCSCc1cccc2c1scc2 62a_100000053229_100009816938 [0,1,1,0,0,0|1,0,1]=4 1833 B17R2.44757 CC(Br)CCOCc1cccc2c1scc2 34a_100009893172_100009816938 [0,1,1,0,0,0|1,0,0]=3 1834 B17R2.44757 CC(C)CCCSc1cccc2c1scc2 62a_100011214892_100000766737 [0,1,1,0,0,0|2,0,0]=4 1835 B17R2.44757 CC(C)CCNCc1cccc2c1[nH]cc2 207a_100000210545_100000750900 [0,1,1,0,0,0|1,0,0]=3 1836 B17R2.44757 CC(C)CCNCc1cccc2c1[nH]cc2 270004a_100000210545_100000750900 [0,1,1,0,0,0|1,0,0]=3 1837 B17R2.44757 CC(C)CCNCc1cccc2c1[nH]cn2 207a_100000210545_100000100021 [0,1,1,0,0,0|2,0,0]=4 1838 B17R2.44757 CC(C)CCNCc1cccc2c1[nH]cn2 270004a_100000210545_100000100021 [0,1,1,0,0,0|2,0,0]=4 1839 B17R2.44757 CC(C)CCNCc1cccc2c1[nH]nc2 207a_100000210545_100000068382 [0,1,1,0,0,0|2,0,0]=4 1840 B17R2.44757 CC(C)CCNCc1cccc2c1[nH]nc2 269862a_100000099547_100000185833 [0,1,1,0,0,0|2,0,0]=4 1841 B17R2.44757 CC(C)CCNCc1cccc2c1[nH]nc2 270004a_100000210545_100000068382 [0,1,1,0,0,0|2,0,0]=4 1842 B17R2.44757 CC(C)CCNCc1cccc2c1cc[nH]2 207a_100000210545_100000750904 [0,1,1,0,0,0|2,0,0]=4 1843 B17R2.44757 CC(C)CCNCc1cccc2c1cc[nH]2 269862a_100011912549_100000185833 [0,1,1,0,0,0|2,0,0]=4 1844 B17R2.44757 CC(C)CCNCc1cccc2c1ccs2 207a_100000210545_100009860987 [0,1,1,0,0,0|2,0,0]=4 1845 B17R2.44757 CC(C)CCNCc1cccc2c1ccs2 270004a_100000210545_100009860987 [0,1,1,0,0,0|2,0,0]=4 1846 B17R2.44757 CC(C)CCNCc1cccc2c1occ2 207a_100000210545_100000050329 [0,1,1,0,0,0|0,1,0]=3 1847 B17R2.44757 CC(C)CCNCc1cccc2c1occ2 270004a_100000210545_100000050329 [0,1,1,0,0,0|0,1,0]=3 1848 B17R2.44757 CC(C)CCNCc1cccc2c1scc2 207a_100000210545_100011934923 [0,1,1,0,0,0|0,0,0]=2 1849 B17R2.44757 CC(C)CCNCc1cccc2c1scc2 270004a_100000210545_100011934923 [0,1,1,0,0,0|0,0,0]=2 1850 B17R2.44757 CC(C)CCNCc1cccc2n1ncc2 207a_100000210545_100000047034 [0,1,1,0,0,0|2,0,0]=4 1851 B17R2.44757 CC(C)CCNCc1cccc2n1ncc2 270004a_100000210545_100000047034 [0,1,1,0,0,0|2,0,0]=4 1852 B17R2.44757 CC(C)CCNCc1cccn2c1ncc2 207a_100000210545_100000084367 [0,1,1,0,0,0|2,0,0]=4 1853 B17R2.44757 CC(C)CCNCc1cccn2c1ncc2 270004a_100000210545_100000084367 [0,1,1,0,0,0|2,0,0]=4 1854 B17R2.44757 CC(C)CCOCc1cccc2c1scc2 34a_100000210254_100009816938 [0,1,1,0,0,0|1,0,0]=3 1855 B17R2.44757 CC(C)CCOCc1cccc2c1scc2 7a_100000210254_100009816938 [0,1,1,0,0,0|1,0,0]=3 1856 B17R2.44757 CC(C)CCSCc1cccc2c1scc2 62a_100000210312_100009816938 [0,1,1,0,0,0|1,0,0]=3 1857 B17R2.44757 CC(C)OCSCc1cccc2c1scc2 62a_100000709892_100009816938 [0,1,1,0,0,0|2,0,0]=4 1858 B17R2.44757 CC(O)CCCSc1cccc2c1scc2 62a_200000718107_100000766737 [0,1,1,0,0,0|2,0,0]=4 1859 B17R2.44757 CC(O)CCNCc1cccc2c1[nH]cc2 207a_200000755665_100000750900 [0,1,1,0,0,0|1,0,0]=3 1860 B17R2.44757 CC(O)CCNCc1cccc2c1[nH]cc2 270004a_200000755665_100000750900 [0,1,1,0,0,0|1,0,0]=3 1861 B17R2.44757 CC(O)CCNCc1cccc2c1[nH]cn2 207a_200000755665_100000100021 [0,1,1,0,0,0|2,0,0]=4 1862 B17R2.44757 CC(O)CCNCc1cccc2c1[nH]cn2 270004a_200000755665_100000100021 [0,1,1,0,0,0|2,0,0]=4 1863 B17R2.44757 CC(O)CCNCc1cccc2c1[nH]nc2 207a_200000755665_100000068382 [0,1,1,0,0,0|2,0,0]=4 1864 B17R2.44757 CC(O)CCNCc1cccc2c1[nH]nc2 2230a_200000755665_100000099550 [0,1,1,0,0,0|2,0,0]=4 1865 B17R2.44757 CC(O)CCNCc1cccc2c1[nH]nc2 270004a_200000755665_100000068382 [0,1,1,0,0,0|2,0,0]=4 1866 B17R2.44757 CC(O)CCNCc1cccc2c1cc[nH]2 207a_200000755665_100000750904 [0,1,1,0,0,0|2,0,0]=4 1867 B17R2.44757 CC(O)CCNCc1cccc2c1ccs2 207a_200000755665_100009860987 [0,1,1,0,0,0|2,0,0]=4 1868 B17R2.44757 CC(O)CCNCc1cccc2c1ccs2 270004a_200000755665_100009860987 [0,1,1,0,0,0|2,0,0]=4 1869 B17R2.44757 CC(O)CCNCc1cccc2c1ncs2 2230a_200000755665_100010883896 [0,1,1,0,0,0|2,0,0]=4 1870 B17R2.44757 CC(O)CCNCc1cccc2c1occ2 207a_200000755665_100000050329 [0,1,1,0,0,0|0,1,0]=3 1871 B17R2.44757 CC(O)CCNCc1cccc2c1occ2 270004a_200000755665_100000050329 [0,1,1,0,0,0|0,1,0]=3 1872 B17R2.44757 CC(O)CCNCc1cccc2c1scc2 207a_200000755665_100011934923 [0,1,1,0,0,0|0,0,0]=2 1873 B17R2.44757 CC(O)CCNCc1cccc2c1scc2 2230a_200000755665_100009816938 [0,1,1,0,0,0|0,0,0]=2 1874 B17R2.44757 CC(O)CCNCc1cccc2c1scc2 270004a_200000755665_100011934923 [0,1,1,0,0,0|0,0,0]=2 1875 B17R2.44757 CC(O)CCNCc1cccc2n1ncc2 207a_200000755665_100000047034 [0,1,1,0,0,0|2,0,0]=4 1876 B17R2.44757 CC(O)CCNCc1cccc2n1ncc2 270004a_200000755665_100000047034 [0,1,1,0,0,0|2,0,0]=4 1877 B17R2.44757 CC(O)CCNCc1cccn2c1ncc2 207a_200000755665_100000084367 [0,1,1,0,0,0|2,0,0]=4 1878 B17R2.44757 CC(O)CCNCc1cccn2c1ncc2 270004a_200000755665_100000084367 [0,1,1,0,0,0|2,0,0]=4 1879 B17R2.44757 CC(O)CCSCc1cccc2c1scc2 62a_100012276601_100009816938 [0,1,1,0,0,0|1,0,0]=3 1880 B17R2.44757 CN(C)CCNCc1cccc2c1[nH]cc2 207a_100000210585_100000750900 [0,1,1,0,0,0|2,0,0]=4 1881 B17R2.44757 CN(C)CCNCc1cccc2c1[nH]cc2 270004a_100000210585_100000750900 [0,1,1,0,0,0|2,0,0]=4 1882 B17R2.44757 CN(C)CCNCc1cccc2c1occ2 207a_100000210585_100000050329 [0,1,1,0,0,0|1,1,0]=4 1883 B17R2.44757 CN(C)CCNCc1cccc2c1occ2 270004a_100000210585_100000050329 [0,1,1,0,0,0|1,1,0]=4 1884 B17R2.44757 CN(C)CCNCc1cccc2c1scc2 207a_100000210585_100011934923 [0,1,1,0,0,0|1,0,0]=3 1885 B17R2.44757 CN(C)CCNCc1cccc2c1scc2 270004a_100000210585_100011934923 [0,1,1,0,0,0|1,0,0]=3 1886 B17R2.44757 C[C@@H](N)CCOCc1cccc2c1scc2 34a_100000706166_100009816938 [0,1,1,0,0,0|1,0,0]=3 1887 B17R2.44757 FC(F)CCOCc1cccc2c1scc2 34a_100103093639_100009816938 [0,1,1,0,0,0|2,0,0]=4 1888 B17R2.44757 NC(=O)CCNCc1cccc2c1scc2 207a_100000740010_100011934923 [0,1,1,0,0,0|1,0,1]=4 1889 B17R2.45754 CCCCNCc1c(ccc2c1cco2)F 207a_100000102301_100009823865 [0,1,1,0,0,0|2,0,0]=4 1890 B17R2.45754 CCCCNCc1c(ccc2c1cco2)F 270004a_100000102301_100009823865 [0,1,1,0,0,0|2,0,0]=4 1891 B17R2.60842 CC(CN)COCc1cccc2c1scc2 34a_100000744482_100009816938 [0,1,1,0,0,0|2,0,0]=4 1892 B17R2.60842 CC(CO)CNCc1cccc2c1[nH]cc2 207a_100000744482_100000750900 [0,1,1,0,0,0|2,0,0]=4 1893 B17R2.60842 CC(CO)CNCc1cccc2c1occ2 207a_100000744482_100000050329 [0,1,1,0,0,0|1,1,0]=4 1894 B17R2.60842 CC(CO)CNCc1cccc2c1scc2 207a_100000744482_100011934923 [0,1,1,0,0,0|1,0,0]=3 1895 B17R2.60842 CC(CO)CNCc1cccc2c1scc2 34a_100000744482_100009816938 [0,1,1,0,0,0|1,0,0]=3 1896 B17R2.60842 CCC(=O)COCc1cccc2c1scc2 34a_100000725409_100009816938 [0,1,1,0,0,0|1,0,1]=4 1897 B17R2.60842 CCC(=O)CSCc1cccc2c1scc2 62a_100000747405_100009816938 [0,1,1,0,0,0|1,0,1]=4 1898 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]cc2 207a_100020588543_100000750900 [0,1,1,0,0,0|1,0,0]=3 1899 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]cc2 270004a_100020588543_100000750900 [0,1,1,0,0,0|1,0,0]=3 1900 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]cn2 207a_100020588543_100000100021 [0,1,1,0,0,0|2,0,0]=4 1901 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]cn2 270004a_100020588543_100000100021 [0,1,1,0,0,0|2,0,0]=4 1902 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]nc2 207a_100020588543_100000068382 [0,1,1,0,0,0|2,0,0]=4 1903 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]nc2 2230a_100020588543_100000099550 [0,1,1,0,0,0|2,0,0]=4 1904 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]nc2 270004a_100000099547_100000243153 [0,1,1,0,0,0|2,0,0]=4 1905 B17R2.60842 CCC(C)CNCc1cccc2c1[nH]nc2 270004a_100020588543_100000068382 [0,1,1,0,0,0|2,0,0]=4 1906 B17R2.60842 CCC(C)CNCc1cccc2c1cc[nH]2 207a_100020588543_100000750904 [0,1,1,0,0,0|2,0,0]=4 1907 B17R2.60842 CCC(C)CNCc1cccc2c1cc[nH]2 270004a_100011912549_100000243153 [0,1,1,0,0,0|2,0,0]=4 1908 B17R2.60842 CCC(C)CNCc1cccc2c1ccs2 207a_100020588543_100009860987 [0,1,1,0,0,0|2,0,0]=4 1909 B17R2.60842 CCC(C)CNCc1cccc2c1ccs2 270004a_100020588543_100009860987 [0,1,1,0,0,0|2,0,0]=4 1910 B17R2.60842 CCC(C)CNCc1cccc2c1ncs2 2230a_100020588543_100010883896 [0,1,1,0,0,0|2,0,0]=4 1911 B17R2.60842 CCC(C)CNCc1cccc2c1occ2 207a_100020588543_100000050329 [0,1,1,0,0,0|0,1,0]=3 1912 B17R2.60842 CCC(C)CNCc1cccc2c1occ2 270004a_100020588543_100000050329 [0,1,1,0,0,0|0,1,0]=3 1913 B17R2.60842 CCC(C)CNCc1cccc2c1scc2 207a_100020588543_100011934923 [0,1,1,0,0,0|0,0,0]=2 1914 B17R2.60842 CCC(C)CNCc1cccc2c1scc2 2230a_100020588543_100009816938 [0,1,1,0,0,0|0,0,0]=2 1915 B17R2.60842 CCC(C)CNCc1cccc2c1scc2 270004a_100020588543_100011934923 [0,1,1,0,0,0|0,0,0]=2 1916 B17R2.60842 CCC(C)CNCc1cccc2n1ncc2 207a_100020588543_100000047034 [0,1,1,0,0,0|2,0,0]=4 1917 B17R2.60842 CCC(C)CNCc1cccc2n1ncc2 270004a_100020588543_100000047034 [0,1,1,0,0,0|2,0,0]=4 1918 B17R2.60842 CCC(C)CNCc1cccn2c1ncc2 207a_100020588543_100000084367 [0,1,1,0,0,0|2,0,0]=4 1919 B17R2.60842 CCC(C)CNCc1cccn2c1ncc2 270004a_100020588543_100000084367 [0,1,1,0,0,0|2,0,0]=4 1920 B17R2.60842 CCC(C)CSCc1cccc2c1scc2 62a_100000748023_100009816938 [0,1,1,0,0,0|1,0,0]=3 1921 B17R2.60842 CCC(O)CNCc1cccc2c1[nH]cc2 207a_100011218483_100000750900 [0,1,1,0,0,0|1,0,0]=3 1922 B17R2.60842 CCC(O)CNCc1cccc2c1[nH]cc2 270004a_100011218483_100000750900 [0,1,1,0,0,0|1,0,0]=3 1923 B17R2.60842 CCC(O)CNCc1cccc2c1[nH]cn2 207a_100011218483_100000100021 [0,1,1,0,0,0|2,0,0]=4 1924 B17R2.60842 CCC(O)CNCc1cccc2c1[nH]cn2 270004a_100011218483_100000100021 [0,1,1,0,0,0|2,0,0]=4 1925 B17R2.60842 CCC(O)CNCc1cccc2c1[nH]nc2 207a_100011218483_100000068382 [0,1,1,0,0,0|2,0,0]=4 1926 B17R2.60842 CCC(O)CNCc1cccc2c1[nH]nc2 2230a_100011218483_100000099550 [0,1,1,0,0,0|2,0,0]=4 1927 B17R2.60842 CCC(O)CNCc1cccc2c1[nH]nc2 270004a_100011218483_100000068382 [0,1,1,0,0,0|2,0,0]=4 1928 B17R2.60842 CCC(O)CNCc1cccc2c1cc[nH]2 207a_100011218483_100000750904 [0,1,1,0,0,0|2,0,0]=4 1929 B17R2.60842 CCC(O)CNCc1cccc2c1ccs2 207a_100011218483_100009860987 [0,1,1,0,0,0|2,0,0]=4 1930 B17R2.60842 CCC(O)CNCc1cccc2c1ccs2 270004a_100011218483_100009860987 [0,1,1,0,0,0|2,0,0]=4 1931 B17R2.60842 CCC(O)CNCc1cccc2c1ncs2 2230a_100011218483_100010883896 [0,1,1,0,0,0|2,0,0]=4 1932 B17R2.60842 CCC(O)CNCc1cccc2c1occ2 207a_100011218483_100000050329 [0,1,1,0,0,0|0,1,0]=3 1933 B17R2.60842 CCC(O)CNCc1cccc2c1occ2 270004a_100011218483_100000050329 [0,1,1,0,0,0|0,1,0]=3 1934 B17R2.60842 CCC(O)CNCc1cccc2c1scc2 207a_100011218483_100011934923 [0,1,1,0,0,0|0,0,0]=2 1935 B17R2.60842 CCC(O)CNCc1cccc2c1scc2 2230a_100011218483_100009816938 [0,1,1,0,0,0|0,0,0]=2 1936 B17R2.60842 CCC(O)CNCc1cccc2c1scc2 270004a_100011218483_100011934923 [0,1,1,0,0,0|0,0,0]=2 1937 B17R2.60842 CCC(O)CNCc1cccc2n1ncc2 207a_100011218483_100000047034 [0,1,1,0,0,0|2,0,0]=4 1938 B17R2.60842 CCC(O)CNCc1cccc2n1ncc2 270004a_100011218483_100000047034 [0,1,1,0,0,0|2,0,0]=4 1939 B17R2.60842 CCC(O)CNCc1cccn2c1ncc2 207a_100011218483_100000084367 [0,1,1,0,0,0|2,0,0]=4 1940 B17R2.60842 CCC(O)CNCc1cccn2c1ncc2 270004a_100011218483_100000084367 [0,1,1,0,0,0|2,0,0]=4 1941 B17R2.60842 CCC(O)CSCc1cccc2c1scc2 62a_100011218378_100009816938 [0,1,1,0,0,0|1,0,0]=3 1942 B17R2.60842 CC[C@H](C)COCc1cccc2c1scc2 7a_100009816381_100009816938 [0,1,1,0,0,0|1,0,0]=3 1943 B17R2.60842 CC[C@H](C)CSCc1cccc2c1scc2 62a_100009816398_100009816938 [0,1,1,0,0,0|1,0,0]=3 1944 B17R2.60842 CNC(=O)CNCc1cccc2c1scc2 207a_100000693194_100011934923 [0,1,1,0,0,0|1,0,1]=4 1945 B17R2.60842 CNC(=O)CNCc1cccc2c1scc2 2230a_100000693194_100009816938 [0,1,1,0,0,0|1,0,1]=4 1946 B17R2.60842 CNC(=O)CNCc1cccc2c1scc2 270004a_100000693194_100011934923 [0,1,1,0,0,0|1,0,1]=4 1947 B17R2.60842 COC(C)COCc1cccc2c1scc2 34a_100000690652_100009816938 [0,1,1,0,0,0|2,0,0]=4 1948 B17R2.60842 CO[C@H](C)CNCc1cccc2c1[nH]cc2 207a_100020591295_100000750900 [0,1,1,0,0,0|2,0,0]=4 1949 B17R2.60842 CO[C@H](C)CNCc1cccc2c1[nH]cc2 270004a_100020591295_100000750900 [0,1,1,0,0,0|2,0,0]=4 1950 B17R2.60842 CO[C@H](C)CNCc1cccc2c1occ2 207a_100020591295_100000050329 [0,1,1,0,0,0|1,1,0]=4 1951 B17R2.60842 CO[C@H](C)CNCc1cccc2c1occ2 270004a_100020591295_100000050329 [0,1,1,0,0,0|1,1,0]=4 1952 B17R2.60842 CO[C@H](C)CNCc1cccc2c1scc2 207a_100020591295_100011934923 [0,1,1,0,0,0|1,0,0]=3 1953 B17R2.60842 CO[C@H](C)CNCc1cccc2c1scc2 2230a_100020591295_100009816938 [0,1,1,0,0,0|1,0,0]=3 1954 B17R2.60842 CO[C@H](C)CNCc1cccc2c1scc2 270004a_100020591295_100011934923 [0,1,1,0,0,0|1,0,0]=3 1955 B17R2.60842 C[C@@H](CO)CSCc1cccc2c1scc2 62a_100000059175_100009816938 [0,1,1,0,0,0|2,0,0]=4 1956 B17R2.60842 ClCC(Cl)COCc1cccc2c1scc2 34a_100000033668_100009816938 [0,1,1,0,0,0|2,0,0]=4 1957 B17R2.60842 NC[C@@H](F)COCc1cccc2c1scc2 34a_100015665980_100009816938 [0,1,1,0,0,0|2,0,0]=4 1958 B17R2.60842 OCC(O)CSCc1cccc2c1scc2 62a_100011219619_100009816938 [0,1,1,0,0,0|2,0,0]=4 1959 B17R2.60842 OC[C@@H](O)CNCc1cccc2c1[nH]cc2 207a_100020644852_100000750900 [0,1,1,0,0,0|2,0,0]=4 1960 B17R2.60842 OC[C@@H](O)CNCc1cccc2c1occ2 207a_100020644852_100000050329 [0,1,1,0,0,0|1,1,0]=4 1961 B17R2.60842 OC[C@@H](O)CNCc1cccc2c1scc2 207a_100020644852_100011934923 [0,1,1,0,0,0|1,0,0]=3 1962 B17R2.60842 OC[C@@H](O)CNCc1cccc2c1scc2 2230a_100020644852_100009816938 [0,1,1,0,0,0|1,0,0]=3 1963 B17R2.60842 OC[C@H](F)CNCc1cccc2c1[nH]cc2 207a_100015665980_100000750900 [0,1,1,0,0,0|2,0,0]=4 1964 B17R2.60842 OC[C@H](F)CNCc1cccc2c1[nH]cc2 270004a_100015665980_100000750900 [0,1,1,0,0,0|2,0,0]=4 1965 B17R2.60842 OC[C@H](F)CNCc1cccc2c1occ2 207a_100015665980_100000050329 [0,1,1,0,0,0|1,1,0]=4 1966 B17R2.60842 OC[C@H](F)CNCc1cccc2c1occ2 270004a_100015665980_100000050329 [0,1,1,0,0,0|1,1,0]=4 1967 B17R2.60842 OC[C@H](F)CNCc1cccc2c1scc2 207a_100015665980_100011934923 [0,1,1,0,0,0|1,0,0]=3 1968 B17R2.60842 OC[C@H](F)CNCc1cccc2c1scc2 270004a_100015665980_100011934923 [0,1,1,0,0,0|1,0,0]=3 1969 B17R2.60842 OC[C@H](F)CNCc1cccc2c1scc2 34a_100015665980_100009816938 [0,1,1,0,0,0|1,0,0]=3 1970 B17R2.60842 OC[C@H](O)CSCc1cccc2c1scc2 62a_100009815848_100009816938 [0,1,1,0,0,0|2,0,0]=4 1971 B17R2.60842 O[C@@H](CF)CSCc1cccc2c1scc2 62a_100015614560_100009816938 [0,1,1,0,0,0|2,0,0]=4 1972 B17R2.74423 C=CCCN(C)Cc1cccc2c1scc2 2230a_100020639649_100009816938 [0,1,1,0,0,0|0,0,2]=4 1973 B17R2.74423 C=CCCN(C)Cc1cccc2c1scc2 269982a_100020639649_100009816938 [0,1,1,0,0,0|0,0,2]=4 1974 B17R2.74423 C=CCCN(C)Cc1cccc2c1scc2 270004a_100020639649_100011934923 [0,1,1,0,0,0|0,0,2]=4 1975 B17R2.74423 CCCCC(=Cc1cccc2c1scc2)Br 271570a_206741709834_100000766737 [0,1,1,0,0,0|1,0,1]=4 1976 B17R2.74423 CCCCC(=O)Cc1cccc2c1scc2 1458a_100000210183_100009816938 [0,1,1,0,0,0|1,0,0]=3 1977 B17R2.74423 CCCCC(C)Sc1cccc2c1scc2 62a_200011215066_100000766737 [0,1,1,0,0,0|2,0,0]=4 1978 B17R2.74423 CCCCN(C)Cc1cccc2c1[nH]cc2 270004a_100000207549_100000750900 [0,1,1,0,0,0|1,0,0]=3 1979 B17R2.74423 CCCCN(C)Cc1cccc2c1[nH]cn2 270004a_100000207549_100000100021 [0,1,1,0,0,0|2,0,0]=4 1980 B17R2.74423 CCCCN(C)Cc1cccc2c1[nH]nc2 2230a_100000207549_100000099550 [0,1,1,0,0,0|2,0,0]=4 1981 B17R2.74423 CCCCN(C)Cc1cccc2c1[nH]nc2 269982a_100000207549_100000099550 [0,1,1,0,0,0|2,0,0]=4 1982 B17R2.74423 CCCCN(C)Cc1cccc2c1[nH]nc2 270004a_100000207549_100000068382 [0,1,1,0,0,0|2,0,0]=4 1983 B17R2.74423 CCCCN(C)Cc1cccc2c1cc[nH]2 2230a_100000719444_100000210211 [0,1,1,0,0,0|2,0,0]=4 1984 B17R2.74423 CCCCN(C)Cc1cccc2c1cc[nH]2 269982a_100000719444_100000210211 [0,1,1,0,0,0|2,0,0]=4 1985 B17R2.74423 CCCCN(C)Cc1cccc2c1ccs2 270004a_100000207549_100009860987 [0,1,1,0,0,0|2,0,0]=4 1986 B17R2.74423 CCCCN(C)Cc1cccc2c1ncs2 2230a_100000207549_100010883896 [0,1,1,0,0,0|2,0,0]=4 1987 B17R2.74423 CCCCN(C)Cc1cccc2c1ncs2 269982a_100000207549_100010883896 [0,1,1,0,0,0|2,0,0]=4 1988 B17R2.74423 CCCCN(C)Cc1cccc2c1occ2 270004a_100000207549_100000050329 [0,1,1,0,0,0|0,1,0]=3 1989 B17R2.74423 CCCCN(C)Cc1cccc2c1scc2 2230a_100000207549_100009816938 [0,1,1,0,0,0|0,0,0]=2 1990 B17R2.74423 CCCCN(C)Cc1cccc2c1scc2 269982a_100000207549_100009816938 [0,1,1,0,0,0|0,0,0]=2 1991 B17R2.74423 CCCCN(C)Cc1cccc2c1scc2 270004a_100000207549_100011934923 [0,1,1,0,0,0|0,0,0]=2 1992 B17R2.74423 CCCCN(C)Cc1cccc2n1ncc2 270004a_100000207549_100000047034 [0,1,1,0,0,0|2,0,0]=4 1993 B17R2.74423 CCCCN(C)Cc1cccn2c1ncc2 270004a_100000207549_100000084367 [0,1,1,0,0,0|2,0,0]=4 1994 B17R2.74423 CCOCC(=O)Cc1cccc2c1scc2 1458a_100000211967_100009816938 [0,1,1,0,0,0|2,0,0]=4 1995 B17R2.74423 CCSCC(=O)Cc1cccc2c1scc2 1458a_100000230394_100009816938 [0,1,1,0,0,0|2,0,0]=4 1996 B17R2.74423 CN(CCC#N)Cc1cccc2c1scc2 2230a_100000184479_100009816938 [0,1,1,0,0,0|1,0,1]=4 1997 B17R2.74423 CN(CCC#N)Cc1cccc2c1scc2 270004a_100000184479_100011934923 [0,1,1,0,0,0|1,0,1]=4 1998 B17R2.74423 CN(CCCO)Cc1cccc2c1[nH]cc2 270004a_100000213112_100000750900 [0,1,1,0,0,0|2,0,0]=4 1999 B17R2.74423 CN(CCCO)Cc1cccc2c1occ2 270004a_100000213112_100000050329 [0,1,1,0,0,0|1,1,0]=4 2000 B17R2.74423 CN(CCCO)Cc1cccc2c1scc2 2230a_100000213112_100009816938 [0,1,1,0,0,0|1,0,0]=3 2001 B17R2.74423 CN(CCCO)Cc1cccc2c1scc2 269982a_100000213112_100009816938 [0,1,1,0,0,0|1,0,0]=3 2002 B17R2.74423 CN(CCCO)Cc1cccc2c1scc2 270004a_100000213112_100011934923 [0,1,1,0,0,0|1,0,0]=3 2003 B17R2.74423 COCCC(=O)Cc1cccc2c1scc2 1458a_100000749529_100009816938 [0,1,1,0,0,0|2,0,0]=4 2004 B17R2.74423 COCCN(C)Cc1cccc2c1[nH]cc2 270004a_100000743101_100000750900 [0,1,1,0,0,0|2,0,0]=4 2005 B17R2.74423 COCCN(C)Cc1cccc2c1occ2 270004a_100000743101_100000050329 [0,1,1,0,0,0|1,1,0]=4 2006 B17R2.74423 COCCN(C)Cc1cccc2c1scc2 2230a_100000743101_100009816938 [0,1,1,0,0,0|1,0,0]=3 2007 B17R2.74423 COCCN(C)Cc1cccc2c1scc2 269982a_100000743101_100009816938 [0,1,1,0,0,0|1,0,0]=3 2008 B17R2.74423 COCCN(C)Cc1cccc2c1scc2 270004a_100000743101_100011934923 [0,1,1,0,0,0|1,0,0]=3 2009 B17R2.74423 CSCCC(=O)Cc1cccc2c1scc2 1458a_100000174002_100009816938 [0,1,1,0,0,0|2,0,0]=4 2010 B17R2.74423 CSCCN(C)Cc1cccc2c1[nH]cc2 270004a_100000686725_100000750900 [0,1,1,0,0,0|2,0,0]=4 2011 B17R2.74423 CSCCN(C)Cc1cccc2c1occ2 270004a_100000686725_100000050329 [0,1,1,0,0,0|1,1,0]=4 2012 B17R2.74423 CSCCN(C)Cc1cccc2c1scc2 2230a_100000686725_100009816938 [0,1,1,0,0,0|1,0,0]=3 2013 B17R2.74423 CSCCN(C)Cc1cccc2c1scc2 269982a_100000686725_100009816938 [0,1,1,0,0,0|1,0,0]=3 2014 B17R2.74423 CSCCN(C)Cc1cccc2c1scc2 270004a_100000686725_100011934923 [0,1,1,0,0,0|1,0,0]=3 2015 B17R2.74946 CC(CCBr)OCc1cccc2c1scc2 34a_100012276601_100009816938 [0,1,1,0,0,0|2,0,0]=4 2016 B17R2.74946 CC(CCO)SCc1cccc2c1scc2 62a_100009893172_100009816938 [0,1,1,0,0,0|2,0,0]=4 2017 B17R2.74946 CCCC(C)CSc1cccc2c1scc2 62a_100011216630_100000766737 [0,1,1,0,0,0|2,0,0]=4 2018 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]cc2 207a_100000741246_100000750900 [0,1,1,0,0,0|1,0,0]=3 2019 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]cc2 270004a_100000741246_100000750900 [0,1,1,0,0,0|1,0,0]=3 2020 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]cn2 207a_100000741246_100000100021 [0,1,1,0,0,0|2,0,0]=4 2021 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]cn2 270004a_100000741246_100000100021 [0,1,1,0,0,0|2,0,0]=4 2022 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]nc2 207a_100000741246_100000068382 [0,1,1,0,0,0|2,0,0]=4 2023 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]nc2 2230a_100000741246_100000099550 [0,1,1,0,0,0|2,0,0]=4 2024 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]nc2 270004a_100000099547_100000211909 [0,1,1,0,0,0|2,0,0]=4 2025 B17R2.74946 CCCC(C)NCc1cccc2c1[nH]nc2 270004a_100000741246_100000068382 [0,1,1,0,0,0|2,0,0]=4 2026 B17R2.74946 CCCC(C)NCc1cccc2c1cc[nH]2 207a_100000741246_100000750904 [0,1,1,0,0,0|2,0,0]=4 2027 B17R2.74946 CCCC(C)NCc1cccc2c1cc[nH]2 270004a_100011912549_100000211909 [0,1,1,0,0,0|2,0,0]=4 2028 B17R2.74946 CCCC(C)NCc1cccc2c1ccs2 207a_100000741246_100009860987 [0,1,1,0,0,0|2,0,0]=4 2029 B17R2.74946 CCCC(C)NCc1cccc2c1ccs2 270004a_100000741246_100009860987 [0,1,1,0,0,0|2,0,0]=4 2030 B17R2.74946 CCCC(C)NCc1cccc2c1ncs2 2230a_100000741246_100010883896 [0,1,1,0,0,0|2,0,0]=4 2031 B17R2.74946 CCCC(C)NCc1cccc2c1occ2 207a_100000741246_100000050329 [0,1,1,0,0,0|0,1,0]=3 2032 B17R2.74946 CCCC(C)NCc1cccc2c1occ2 270004a_100000741246_100000050329 [0,1,1,0,0,0|0,1,0]=3 2033 B17R2.74946 CCCC(C)NCc1cccc2c1scc2 207a_100000741246_100011934923 [0,1,1,0,0,0|0,0,0]=2 2034 B17R2.74946 CCCC(C)NCc1cccc2c1scc2 2230a_100000741246_100009816938 [0,1,1,0,0,0|0,0,0]=2 2035 B17R2.74946 CCCC(C)NCc1cccc2c1scc2 270004a_100000741246_100011934923 [0,1,1,0,0,0|0,0,0]=2 2036 B17R2.74946 CCCC(C)NCc1cccc2n1ncc2 207a_100000741246_100000047034 [0,1,1,0,0,0|2,0,0]=4 2037 B17R2.74946 CCCC(C)NCc1cccc2n1ncc2 270004a_100000741246_100000047034 [0,1,1,0,0,0|2,0,0]=4 2038 B17R2.74946 CCCC(C)NCc1cccn2c1ncc2 207a_100000741246_100000084367 [0,1,1,0,0,0|2,0,0]=4 2039 B17R2.74946 CCCC(C)NCc1cccn2c1ncc2 270004a_100000741246_100000084367 [0,1,1,0,0,0|2,0,0]=4 2040 B17R2.74946 CCCC(C)OCc1cccc2c1scc2 34a_100000764384_100009816938 [0,1,1,0,0,0|1,0,0]=3 2041 B17R2.74946 CCCC(C)OCc1cccc2c1scc2 7a_100000764384_100009816938 [0,1,1,0,0,0|1,0,0]=3 2042 B17R2.74946 CCCC(C)SCc1cccc2c1scc2 62a_100000766640_100009816938 [0,1,1,0,0,0|1,0,0]=3 2043 B17R2.74946 COCC(C)SCc1cccc2c1scc2 62a_100000765312_100009816938 [0,1,1,0,0,0|2,0,0]=4 2044 B17R2.74946 COC[C@@H](C)NCc1cccc2c1[nH]cc2 207a_100000764878_100000750900 [0,1,1,0,0,0|2,0,0]=4 2045 B17R2.74946 COC[C@@H](C)NCc1cccc2c1[nH]cc2 270004a_100000764878_100000750900 [0,1,1,0,0,0|2,0,0]=4 2046 B17R2.74946 COC[C@@H](C)NCc1cccc2c1occ2 207a_100000764878_100000050329 [0,1,1,0,0,0|1,1,0]=4 2047 B17R2.74946 COC[C@@H](C)NCc1cccc2c1occ2 270004a_100000764878_100000050329 [0,1,1,0,0,0|1,1,0]=4 2048 B17R2.74946 COC[C@@H](C)NCc1cccc2c1scc2 207a_100000764878_100011934923 [0,1,1,0,0,0|1,0,0]=3 2049 B17R2.74946 COC[C@@H](C)NCc1cccc2c1scc2 2230a_100000764878_100009816938 [0,1,1,0,0,0|1,0,0]=3 2050 B17R2.74946 COC[C@@H](C)NCc1cccc2c1scc2 270004a_100000764878_100011934923 [0,1,1,0,0,0|1,0,0]=3 2051 B17R2.74946 COC[C@@H](C)OCc1cccc2c1scc2 34a_100011934205_100009816938 [0,1,1,0,0,0|2,0,0]=4 2052 B17R2.74946 C[C@@H](CC#N)NCc1cccc2c1scc2 207a_100016994482_100011934923 [0,1,1,0,0,0|1,0,1]=4 2053 B17R2.74946 C[C@@H](CC#N)NCc1cccc2c1scc2 2230a_100016994482_100009816938 [0,1,1,0,0,0|1,0,1]=4 2054 B17R2.74946 C[C@H](CCO)NCc1cccc2c1[nH]cc2 207a_100000706166_100000750900 [0,1,1,0,0,0|2,0,0]=4 2055 B17R2.74946 C[C@H](CCO)NCc1cccc2c1[nH]cc2 270004a_100000706166_100000750900 [0,1,1,0,0,0|2,0,0]=4 2056 B17R2.74946 C[C@H](CCO)NCc1cccc2c1occ2 207a_100000706166_100000050329 [0,1,1,0,0,0|1,1,0]=4 2057 B17R2.74946 C[C@H](CCO)NCc1cccc2c1occ2 270004a_100000706166_100000050329 [0,1,1,0,0,0|1,1,0]=4 2058 B17R2.74946 C[C@H](CCO)NCc1cccc2c1scc2 207a_100000706166_100011934923 [0,1,1,0,0,0|1,0,0]=3 2059 B17R2.74946 C[C@H](CCO)NCc1cccc2c1scc2 2230a_100000706166_100009816938 [0,1,1,0,0,0|1,0,0]=3 2060 B17R2.74946 C[C@H](CCO)NCc1cccc2c1scc2 270004a_100000706166_100011934923 [0,1,1,0,0,0|1,0,0]=3 2061 B17R2.74946 C[C@H](CCO)NCc1cccc2c1scc2 34a_100000706166_100009816938 [0,1,1,0,0,0|1,0,0]=3 2062 B17R2.11 CC(C)CNCc1cccc2c1[nH]nc2Br 26a_100000210953_200010988877 [0,1,1,0,0,0|2,0,0]=4 2063 B17R2.11 CC(C)CNCc1cccc2c1ccn2C 270004a_100000210953_100011934855 [0,1,1,0,0,0|2,0,0]=4 2064 B17R2.11 CC(C)CNCc1cccc2c1ccn2C 270004a_100011934857_100000210432 [0,1,1,0,0,0|2,0,0]=4 2065 B17R2.11 CC(C)CNCc1cccc2c1ccn2C 34a_100011934857_100000210624 [0,1,1,0,0,0|2,0,0]=4 2066 B17R2.5261 CC(C)CC=Cc1cccc2c1sc(c2)N 271570a_100016259101_100010090802 [0,1,1,0,0,0|1,0,1]=4 2067 B17R2.5261 CC(C)CCSc1cccc2c1sc(c2)N 62a_100010090802_100000210312 [0,1,1,0,0,0|2,0,0]=4 2068 B17R2.19788 CC(C)CNCc1c(ccc2c1cco2)F 207a_100000210953_100009823865 [0,1,1,0,0,0|2,0,0]=4 2069 B17R2.19788 CC(C)CNCc1c(ccc2c1cco2)F 270004a_100000210953_100009823865 [0,1,1,0,0,0|2,0,0]=4 2070 B17R2.39674 CC(C)CNCc1ccc(c2c1occ2)Br 26a_100000210953_200020711608 [0,1,1,0,0,0|0,1,0]=3 2071 B17R2.84729 CC(C)C(C)NCc1cccc2c1[nH]cc2 207a_100000211541_100000750900 [0,1,1,0,0,0|1,0,0]=3 2072 B17R2.84729 CC(C)C(C)NCc1cccc2c1[nH]cc2 270004a_100000211541_100000750900 [0,1,1,0,0,0|1,0,0]=3 2073 B17R2.84729 CC(C)C(C)NCc1cccc2c1[nH]cn2 207a_100000211541_100000100021 [0,1,1,0,0,0|2,0,0]=4 2074 B17R2.84729 CC(C)C(C)NCc1cccc2c1[nH]cn2 270004a_100000211541_100000100021 [0,1,1,0,0,0|2,0,0]=4 2075 B17R2.84729 CC(C)C(C)NCc1cccc2c1[nH]nc2 207a_100000211541_100000068382 [0,1,1,0,0,0|2,0,0]=4 2076 B17R2.84729 CC(C)C(C)NCc1cccc2c1[nH]nc2 2230a_100000211541_100000099550 [0,1,1,0,0,0|2,0,0]=4 2077 B17R2.84729 CC(C)C(C)NCc1cccc2c1[nH]nc2 270004a_100000211541_100000068382 [0,1,1,0,0,0|2,0,0]=4 2078 B17R2.84729 CC(C)C(C)NCc1cccc2c1cc[nH]2 207a_100000211541_100000750904 [0,1,1,0,0,0|2,0,0]=4 2079 B17R2.84729 CC(C)C(C)NCc1cccc2c1ccs2 207a_100000211541_100009860987 [0,1,1,0,0,0|2,0,0]=4 2080 B17R2.84729 CC(C)C(C)NCc1cccc2c1ccs2 270004a_100000211541_100009860987 [0,1,1,0,0,0|2,0,0]=4 2081 B17R2.84729 CC(C)C(C)NCc1cccc2c1ncs2 2230a_100000211541_100010883896 [0,1,1,0,0,0|2,0,0]=4 2082 B17R2.84729 CC(C)C(C)NCc1cccc2c1occ2 207a_100000211541_100000050329 [0,1,1,0,0,0|0,1,0]=3 2083 B17R2.84729 CC(C)C(C)NCc1cccc2c1occ2 270004a_100000211541_100000050329 [0,1,1,0,0,0|0,1,0]=3 2084 B17R2.84729 CC(C)C(C)NCc1cccc2c1scc2 207a_100000211541_100011934923 [0,1,1,0,0,0|0,0,0]=2 2085 B17R2.84729 CC(C)C(C)NCc1cccc2c1scc2 2230a_100000211541_100009816938 [0,1,1,0,0,0|0,0,0]=2 2086 B17R2.84729 CC(C)C(C)NCc1cccc2c1scc2 270004a_100000211541_100011934923 [0,1,1,0,0,0|0,0,0]=2 2087 B17R2.84729 CC(C)C(C)NCc1cccc2n1ncc2 207a_100000211541_100000047034 [0,1,1,0,0,0|2,0,0]=4 2088 B17R2.84729 CC(C)C(C)NCc1cccc2n1ncc2 270004a_100000211541_100000047034 [0,1,1,0,0,0|2,0,0]=4 2089 B17R2.84729 CC(C)C(C)NCc1cccn2c1ncc2 207a_100000211541_100000084367 [0,1,1,0,0,0|2,0,0]=4 2090 B17R2.84729 CC(C)C(C)NCc1cccn2c1ncc2 270004a_100000211541_100000084367 [0,1,1,0,0,0|2,0,0]=4 2091 B17R2.84729 CC(C)C(C)OCc1cccc2c1scc2 7a_100000748068_100009816938 [0,1,1,0,0,0|1,0,0]=3 2092 B17R2.90704 CC(C)(C)CCSc1cccc2c1scc2 62a_100000755188_100000766737 [0,1,1,0,0,0|2,0,0]=4 2093 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]cc2 207a_100000743828_100000750900 [0,1,1,0,0,0|1,0,0]=3 2094 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]cc2 270004a_100000743828_100000750900 [0,1,1,0,0,0|1,0,0]=3 2095 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]cn2 207a_100000743828_100000100021 [0,1,1,0,0,0|2,0,0]=4 2096 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]cn2 270004a_100000743828_100000100021 [0,1,1,0,0,0|2,0,0]=4 2097 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]nc2 207a_100000743828_100000068382 [0,1,1,0,0,0|2,0,0]=4 2098 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]nc2 2230a_100000743828_100000099550 [0,1,1,0,0,0|2,0,0]=4 2099 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]nc2 270004a_100000099547_100011204126 [0,1,1,0,0,0|2,0,0]=4 2100 B17R2.90704 CC(C)(C)CNCc1cccc2c1[nH]nc2 270004a_100000743828_100000068382 [0,1,1,0,0,0|2,0,0]=4 2101 B17R2.90704 CC(C)(C)CNCc1cccc2c1cc[nH]2 207a_100000743828_100000750904 [0,1,1,0,0,0|2,0,0]=4 2102 B17R2.90704 CC(C)(C)CNCc1cccc2c1cc[nH]2 270004a_100011912549_100011204126 [0,1,1,0,0,0|2,0,0]=4 2103 B17R2.90704 CC(C)(C)CNCc1cccc2c1ccs2 207a_100000743828_100009860987 [0,1,1,0,0,0|2,0,0]=4 2104 B17R2.90704 CC(C)(C)CNCc1cccc2c1ccs2 270004a_100000743828_100009860987 [0,1,1,0,0,0|2,0,0]=4 2105 B17R2.90704 CC(C)(C)CNCc1cccc2c1ncs2 2230a_100000743828_100010883896 [0,1,1,0,0,0|2,0,0]=4 2106 B17R2.90704 CC(C)(C)CNCc1cccc2c1occ2 207a_100000743828_100000050329 [0,1,1,0,0,0|0,1,0]=3 2107 B17R2.90704 CC(C)(C)CNCc1cccc2c1occ2 270004a_100000743828_100000050329 [0,1,1,0,0,0|0,1,0]=3 2108 B17R2.90704 CC(C)(C)CNCc1cccc2c1scc2 207a_100000743828_100011934923 [0,1,1,0,0,0|0,0,0]=2 2109 B17R2.90704 CC(C)(C)CNCc1cccc2c1scc2 2230a_100000743828_100009816938 [0,1,1,0,0,0|0,0,0]=2 2110 B17R2.90704 CC(C)(C)CNCc1cccc2c1scc2 270004a_100000743828_100011934923 [0,1,1,0,0,0|0,0,0]=2 2111 B17R2.90704 CC(C)(C)CNCc1cccc2n1ncc2 207a_100000743828_100000047034 [0,1,1,0,0,0|2,0,0]=4 2112 B17R2.90704 CC(C)(C)CNCc1cccc2n1ncc2 270004a_100000743828_100000047034 [0,1,1,0,0,0|2,0,0]=4 2113 B17R2.90704 CC(C)(C)CNCc1cccn2c1ncc2 207a_100000743828_100000084367 [0,1,1,0,0,0|2,0,0]=4 2114 B17R2.90704 CC(C)(C)CNCc1cccn2c1ncc2 270004a_100000743828_100000084367 [0,1,1,0,0,0|2,0,0]=4 2115 B17R2.90704 CC(C)(C)CSCc1cccc2c1scc2 62a_100011219605_100009816938 [0,1,1,0,0,0|1,0,0]=3 2116 B17R2.90704 CC(C)(F)CNCc1cccc2c1[nH]cc2 207a_100020643315_100000750900 [0,1,1,0,0,0|1,0,0]=3 2117 B17R2.90704 CC(C)(F)CNCc1cccc2c1[nH]cc2 270004a_100020643315_100000750900 [0,1,1,0,0,0|1,0,0]=3 2118 B17R2.90704 CC(C)(F)CNCc1cccc2c1[nH]cn2 207a_100020643315_100000100021 [0,1,1,0,0,0|2,0,0]=4 2119 B17R2.90704 CC(C)(F)CNCc1cccc2c1[nH]cn2 270004a_100020643315_100000100021 [0,1,1,0,0,0|2,0,0]=4 2120 B17R2.90704 CC(C)(F)CNCc1cccc2c1[nH]nc2 207a_100020643315_100000068382 [0,1,1,0,0,0|2,0,0]=4 2121 B17R2.90704 CC(C)(F)CNCc1cccc2c1[nH]nc2 2230a_100020643315_100000099550 [0,1,1,0,0,0|2,0,0]=4 2122 B17R2.90704 CC(C)(F)CNCc1cccc2c1[nH]nc2 270004a_100020643315_100000068382 [0,1,1,0,0,0|2,0,0]=4 2123 B17R2.90704 CC(C)(F)CNCc1cccc2c1cc[nH]2 207a_100020643315_100000750904 [0,1,1,0,0,0|2,0,0]=4 2124 B17R2.90704 CC(C)(F)CNCc1cccc2c1ccs2 207a_100020643315_100009860987 [0,1,1,0,0,0|2,0,0]=4 2125 B17R2.90704 CC(C)(F)CNCc1cccc2c1ccs2 270004a_100020643315_100009860987 [0,1,1,0,0,0|2,0,0]=4 2126 B17R2.90704 CC(C)(F)CNCc1cccc2c1ncs2 2230a_100020643315_100010883896 [0,1,1,0,0,0|2,0,0]=4 2127 B17R2.90704 CC(C)(F)CNCc1cccc2c1occ2 207a_100020643315_100000050329 [0,1,1,0,0,0|0,1,0]=3 2128 B17R2.90704 CC(C)(F)CNCc1cccc2c1occ2 270004a_100020643315_100000050329 [0,1,1,0,0,0|0,1,0]=3 2129 B17R2.90704 CC(C)(F)CNCc1cccc2c1scc2 207a_100020643315_100011934923 [0,1,1,0,0,0|0,0,0]=2 2130 B17R2.90704 CC(C)(F)CNCc1cccc2c1scc2 2230a_100020643315_100009816938 [0,1,1,0,0,0|0,0,0]=2 2131 B17R2.90704 CC(C)(F)CNCc1cccc2c1scc2 270004a_100020643315_100011934923 [0,1,1,0,0,0|0,0,0]=2 2132 B17R2.90704 CC(C)(F)CNCc1cccc2n1ncc2 207a_100020643315_100000047034 [0,1,1,0,0,0|2,0,0]=4 2133 B17R2.90704 CC(C)(F)CNCc1cccc2n1ncc2 270004a_100020643315_100000047034 [0,1,1,0,0,0|2,0,0]=4 2134 B17R2.90704 CC(C)(F)CNCc1cccn2c1ncc2 207a_100020643315_100000084367 [0,1,1,0,0,0|2,0,0]=4 2135 B17R2.90704 CC(C)(F)CNCc1cccn2c1ncc2 270004a_100020643315_100000084367 [0,1,1,0,0,0|2,0,0]=4 2136 B17R2.90704 CC(C)(F)COCc1cccc2c1scc2 34a_100000716592_100009816938 [0,1,1,0,0,0|1,0,0]=3 2137 B17R2.90704 CC(C)(F)CSCc1cccc2c1scc2 62a_100011997219_100009816938 [0,1,1,0,0,0|1,0,0]=3 2138 B17R2.90704 CC(C)(O)CCSc1cccc2c1scc2 62a_100000702414_100000766737 [0,1,1,0,0,0|2,0,0]=4 2139 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]cc2 207a_100000751335_100000750900 [0,1,1,0,0,0|1,0,0]=3 2140 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]cc2 270004a_100000751335_100000750900 [0,1,1,0,0,0|1,0,0]=3 2141 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]cn2 207a_100000751335_100000100021 [0,1,1,0,0,0|2,0,0]=4 2142 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]cn2 270004a_100000751335_100000100021 [0,1,1,0,0,0|2,0,0]=4 2143 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]nc2 207a_100000751335_100000068382 [0,1,1,0,0,0|2,0,0]=4 2144 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]nc2 2230a_100000751335_100000099550 [0,1,1,0,0,0|2,0,0]=4 2145 B17R2.90704 CC(C)(O)CNCc1cccc2c1[nH]nc2 270004a_100000751335_100000068382 [0,1,1,0,0,0|2,0,0]=4 2146 B17R2.90704 CC(C)(O)CNCc1cccc2c1cc[nH]2 207a_100000751335_100000750904 [0,1,1,0,0,0|2,0,0]=4 2147 B17R2.90704 CC(C)(O)CNCc1cccc2c1ccs2 207a_100000751335_100009860987 [0,1,1,0,0,0|2,0,0]=4 2148 B17R2.90704 CC(C)(O)CNCc1cccc2c1ccs2 270004a_100000751335_100009860987 [0,1,1,0,0,0|2,0,0]=4 2149 B17R2.90704 CC(C)(O)CNCc1cccc2c1ncs2 2230a_100000751335_100010883896 [0,1,1,0,0,0|2,0,0]=4 2150 B17R2.90704 CC(C)(O)CNCc1cccc2c1occ2 207a_100000751335_100000050329 [0,1,1,0,0,0|0,1,0]=3 2151 B17R2.90704 CC(C)(O)CNCc1cccc2c1occ2 270004a_100000751335_100000050329 [0,1,1,0,0,0|0,1,0]=3 2152 B17R2.90704 CC(C)(O)CNCc1cccc2c1scc2 207a_100000751335_100011934923 [0,1,1,0,0,0|0,0,0]=2 2153 B17R2.90704 CC(C)(O)CNCc1cccc2c1scc2 2230a_100000751335_100009816938 [0,1,1,0,0,0|0,0,0]=2 2154 B17R2.90704 CC(C)(O)CNCc1cccc2c1scc2 270004a_100000751335_100011934923 [0,1,1,0,0,0|0,0,0]=2 2155 B17R2.90704 CC(C)(O)CNCc1cccc2n1ncc2 207a_100000751335_100000047034 [0,1,1,0,0,0|2,0,0]=4 2156 B17R2.90704 CC(C)(O)CNCc1cccc2n1ncc2 270004a_100000751335_100000047034 [0,1,1,0,0,0|2,0,0]=4 2157 B17R2.90704 CC(C)(O)CNCc1cccn2c1ncc2 207a_100000751335_100000084367 [0,1,1,0,0,0|2,0,0]=4 2158 B17R2.90704 CC(C)(O)CNCc1cccn2c1ncc2 270004a_100000751335_100000084367 [0,1,1,0,0,0|2,0,0]=4 2159 B17R2.90704 CC(C)(O)CSCc1cccc2c1scc2 62a_100000764493_100009816938 [0,1,1,0,0,0|1,0,0]=3 2160 B17R2.90704 CC(F)(F)CNCc1cccc2c1[nH]cc2 207a_100000731000_100000750900 [0,1,1,0,0,0|2,0,0]=4 2161 B17R2.90704 CC(F)(F)CNCc1cccc2c1[nH]cc2 270004a_100000731000_100000750900 [0,1,1,0,0,0|2,0,0]=4 2162 B17R2.90704 CC(F)(F)CNCc1cccc2c1occ2 207a_100000731000_100000050329 [0,1,1,0,0,0|1,1,0]=4 2163 B17R2.90704 CC(F)(F)CNCc1cccc2c1occ2 270004a_100000731000_100000050329 [0,1,1,0,0,0|1,1,0]=4 2164 B17R2.90704 CC(F)(F)CNCc1cccc2c1scc2 207a_100000731000_100011934923 [0,1,1,0,0,0|1,0,0]=3 2165 B17R2.90704 CC(F)(F)CNCc1cccc2c1scc2 270004a_100000731000_100011934923 [0,1,1,0,0,0|1,0,0]=3 2166 B17R2.90704 CC(F)(F)COCc1cccc2c1scc2 34a_100000068830_100009816938 [0,1,1,0,0,0|2,0,0]=4 2167 B17R2.90704 C[N+](C)(C)CSCc1cccc2c1scc2 62a_200000036245_100009816938 [0,1,1,0,0,0|2,0,0]=4 2168 B17R2.90704 C[Si](C)(C)CSCc1cccc2c1scc2 62a_100000037933_100009816938 [0,1,1,0,0,0|1,1,0]=4 2169 B17R2.90704 FC(F)(F)CNCc1cccc2c1scc2 34a_100000717047_100009816938 [0,1,1,0,0,0|2,0,0]=4 2170 B17R2.90971 CC(C)CCC(=O)c1cccc2c1scc2 1458a_100000766736_100000210312 [0,1,1,0,0,0|1,0,1]=4 2171 B17R2.90971 CC(C)CNC(=O)c1cccc2c1[nH]cc2 11a_100000210953_100000027293 [0,1,1,0,0,0|1,0,1]=4 2172 B17R2.90971 CC(C)CNC(=O)c1cccc2c1[nH]cc2 240690a_100000210953_100000027293 [0,1,1,0,0,0|1,0,1]=4 2173 B17R2.90971 CC(C)CNC(=O)c1cccc2c1[nH]cc2 527a_100000210953_100000027293 [0,1,1,0,0,0|1,0,1]=4 2174 B17R2.90971 CC(C)CNC(=O)c1cccc2c1occ2 11a_100000210953_100000098497 [0,1,1,0,0,0|0,1,1]=4 2175 B17R2.90971 CC(C)CNC(=O)c1cccc2c1occ2 1626a_100000210953_100000098497 [0,1,1,0,0,0|0,1,1]=4 2176 B17R2.90971 CC(C)CNC(=O)c1cccc2c1occ2 240690a_100000210953_100000098497 [0,1,1,0,0,0|0,1,1]=4 2177 B17R2.90971 CC(C)CNC(=O)c1cccc2c1occ2 527a_100000210953_100000098497 [0,1,1,0,0,0|0,1,1]=4 2178 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scc2 11a_100000210953_100000766736 [0,1,1,0,0,0|0,0,1]=3 2179 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scc2 1626a_100000210953_100000766736 [0,1,1,0,0,0|0,0,1]=3 2180 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scc2 240690a_100000210953_100000766736 [0,1,1,0,0,0|0,0,1]=3 2181 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scc2 527a_100000210953_100000766736 [0,1,1,0,0,0|0,0,1]=3 2182 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scn2 11a_100000210953_100009859901 [0,1,1,0,0,0|1,0,1]=4 2183 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scn2 1626a_100000210953_100009859901 [0,1,1,0,0,0|1,0,1]=4 2184 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scn2 240690a_100000210953_100009859901 [0,1,1,0,0,0|1,0,1]=4 2185 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scn2 527a_100000210953_100009859901 [0,1,1,0,0,0|1,0,1]=4 2186 B17R2.90971 CC(C)CNC(C)c1cccc2c1[nH]nc2 269862a_100000210953_100009882832 [0,1,1,0,0,0|2,0,0]=4 2187 B17R2.90971 CC(C)NNC(=O)c1cccc2c1scc2 22a_100000741168_100000766736 [0,1,1,0,0,0|1,0,1]=4 2188 B17R2.90971 CC(O)CNC(=O)c1cccc2c1scc2 11a_100000210904_100000766736 [0,1,1,0,0,0|1,0,1]=4 2189 B17R2.90971 CC(O)CNC(=O)c1cccc2c1scc2 240690a_100000210904_100000766736 [0,1,1,0,0,0|1,0,1]=4 2190 B17R2.90971 CC(O)CNC(=O)c1cccc2c1scc2 527a_100000210904_100000766736 [0,1,1,0,0,0|1,0,1]=4 2191 B17R2.147063 C=C(C)CN(C)Cc1cccc2c1scc2 2230a_100000225649_100009816938 [0,1,1,0,0,0|0,0,2]=4 2192 B17R2.147063 C=C(C)CN(C)Cc1cccc2c1scc2 269982a_100000225649_100009816938 [0,1,1,0,0,0|0,0,2]=4 2193 B17R2.147063 C=C(C)CN(C)Cc1cccc2c1scc2 270004a_100000225649_100011934923 [0,1,1,0,0,0|0,0,2]=4 2194 B17R2.147063 CC(C)CC(=O)Cc1cccc2c1scc2 1458a_100000210554_100009816938 [0,1,1,0,0,0|1,0,0]=3 2195 B17R2.147063 CC(C)CC(C)Sc1cccc2c1scc2 62a_100000731052_100000766737 [0,1,1,0,0,0|2,0,0]=4 2196 B17R2.147063 CC(C)CN(C)Cc1cccc2c1[nH]cc2 270004a_100000747067_100000750900 [0,1,1,0,0,0|1,0,0]=3 2197 B17R2.147063 CC(C)CN(C)Cc1cccc2c1[nH]cn2 270004a_100000747067_100000100021 [0,1,1,0,0,0|2,0,0]=4 2198 B17R2.147063 CC(C)CN(C)Cc1cccc2c1[nH]nc2 2230a_100000747067_100000099550 [0,1,1,0,0,0|2,0,0]=4 2199 B17R2.147063 CC(C)CN(C)Cc1cccc2c1[nH]nc2 269982a_100000747067_100000099550 [0,1,1,0,0,0|2,0,0]=4 2200 B17R2.147063 CC(C)CN(C)Cc1cccc2c1[nH]nc2 270004a_100000747067_100000068382 [0,1,1,0,0,0|2,0,0]=4 2201 B17R2.147063 CC(C)CN(C)Cc1cccc2c1cc[nH]2 2230a_100000719444_100000210760 [0,1,1,0,0,0|2,0,0]=4 2202 B17R2.147063 CC(C)CN(C)Cc1cccc2c1cc[nH]2 269982a_100000719444_100000210624 [0,1,1,0,0,0|2,0,0]=4 2203 B17R2.147063 CC(C)CN(C)Cc1cccc2c1cc[nH]2 270004a_100000719444_100000210432 [0,1,1,0,0,0|2,0,0]=4 2204 B17R2.147063 CC(C)CN(C)Cc1cccc2c1ccs2 270004a_100000747067_100009860987 [0,1,1,0,0,0|2,0,0]=4 2205 B17R2.147063 CC(C)CN(C)Cc1cccc2c1ncs2 2230a_100000747067_100010883896 [0,1,1,0,0,0|2,0,0]=4 2206 B17R2.147063 CC(C)CN(C)Cc1cccc2c1ncs2 269982a_100000747067_100010883896 [0,1,1,0,0,0|2,0,0]=4 2207 B17R2.147063 CC(C)CN(C)Cc1cccc2c1occ2 270004a_100000747067_100000050329 [0,1,1,0,0,0|0,1,0]=3 2208 B17R2.147063 CC(C)CN(C)Cc1cccc2c1scc2 2230a_100000747067_100009816938 [0,1,1,0,0,0|0,0,0]=2 2209 B17R2.147063 CC(C)CN(C)Cc1cccc2c1scc2 269982a_100000747067_100009816938 [0,1,1,0,0,0|0,0,0]=2 2210 B17R2.147063 CC(C)CN(C)Cc1cccc2c1scc2 270004a_100000747067_100011934923 [0,1,1,0,0,0|0,0,0]=2 2211 B17R2.147063 CC(C)CN(C)Cc1cccc2n1ncc2 270004a_100000747067_100000047034 [0,1,1,0,0,0|2,0,0]=4 2212 B17R2.147063 CC(C)CN(C)Cc1cccn2c1ncc2 270004a_100000747067_100000084367 [0,1,1,0,0,0|2,0,0]=4 2213 B17R2.147063 CC(O)CN(C)Cc1cccc2c1[nH]cc2 270004a_100000227577_100000750900 [0,1,1,0,0,0|2,0,0]=4 2214 B17R2.147063 CC(O)CN(C)Cc1cccc2c1occ2 270004a_100000227577_100000050329 [0,1,1,0,0,0|1,1,0]=4 2215 B17R2.147063 CC(O)CN(C)Cc1cccc2c1scc2 2230a_100000227577_100009816938 [0,1,1,0,0,0|1,0,0]=3 2216 B17R2.147063 CC(O)CN(C)Cc1cccc2c1scc2 269982a_100000227577_100009816938 [0,1,1,0,0,0|1,0,0]=3 2217 B17R2.147063 CC(O)CN(C)Cc1cccc2c1scc2 270004a_100000227577_100011934923 [0,1,1,0,0,0|1,0,0]=3 2218 B17R2.147063 CN(C)CC(=O)Cc1cccc2c1scc2 1458a_100000750896_100009816938 [0,1,1,0,0,0|2,0,0]=4 2219 B17R2.147063 C[C@@H](O)CC(=O)Cc1cccc2c1scc2 1458a_100011933948_100009816938 [0,1,1,0,0,0|2,0,0]=4 2220 B17R2.147063 C[S+](C)CC(=O)Cc1cccc2c1scc2 1458a_200159257847_100009816938 [0,1,1,0,0,0|2,0,0]=4 2221 B17R2.184950 CC(C)CNCc1cccc2c1n(cc2)C 207a_100000210953_100012002307 [0,1,1,0,0,0|1,0,0]=3 2222 B17R2.184950 CC(C)CNCc1cccc2c1n(cc2)C 270004a_100000210953_100012002307 [0,1,1,0,0,0|1,0,0]=3 2223 B17R2.184950 CC(C)CNCc1cccc2c1n(cc2)C 270004a_100011935268_100000210432 [0,1,1,0,0,0|1,0,0]=3 2224 B17R2.184950 CC(C)CNCc1cccc2c1n(cc2)C 34a_100011935268_100000210624 [0,1,1,0,0,0|1,0,0]=3 2225 B17R2.184950 CC(C)CNCc1cccc2c1n(nc2)C 207a_100000210953_100000102508 [0,1,1,0,0,0|2,0,0]=4 2226 B17R2.184950 CC(C)CNCc1cccc2c1n(nc2)C 270004a_100000210953_100000102508 [0,1,1,0,0,0|2,0,0]=4 2227 B17R2.184950 CC(C)CNCc1cccc2c1n(nc2)C 270004a_102516457515_100000210432 [0,1,1,0,0,0|2,0,0]=4 2228 B17R2.184950 CC(C)CNCc1cccc2c1n(nc2)C 34a_102516457515_100000210624 [0,1,1,0,0,0|2,0,0]=4 2229 B17R2.184950 CC(O)CNCc1cccc2c1n(cc2)C 207a_100000210904_100012002307 [0,1,1,0,0,0|2,0,0]=4 2230 B17R2.184950 CC(O)CNCc1cccc2c1n(cc2)C 270004a_100000210904_100012002307 [0,1,1,0,0,0|2,0,0]=4 2231 B17R2.184950 CC(O)CNCc1cccc2c1n(cc2)C 34a_100011935268_100011218427 [0,1,1,0,0,0|2,0,0]=4 2232 B17R2.184950 C[C@@H](O)CNCc1cccc2c1n(cc2)C 34a_100011935268_100009817552 [0,1,1,0,0,0|2,0,0]=4 2233 B17R2.58002 CNC(=O)c1cccc(c1)CNCC2CC2 2230a_100000735609_100000755619 [0,1,1,0,0,0|2,0,0]=4 2234 B17R2.58002 CNC(=O)c1cccc(c1)CNCC2CC2 34a_100000735609_100000755619 [0,1,1,0,0,0|2,0,0]=4 2235 B17R2.58002 COC(=O)c1cccc(c1)CNCC2CC2 2230a_100000735609_100000184886 [0,1,1,0,0,0|2,0,0]=4 2236 B17R2.58002 COC(=O)c1cccc(c1)CNCC2CC2 270004a_100000735609_100000687630 [0,1,1,0,0,0|2,0,0]=4 2237 B17R2.58002 COC(=O)c1cccc(c1)CNCC2CC2 34a_100000735609_100000184886 [0,1,1,0,0,0|2,0,0]=4 2238 B17R2.59576 C=CCOc1cccc(c1)CNCC2CC2 207a_100000735609_100000172103 [0,1,1,0,0,0|1,0,1]=4 2239 B17R2.59576 C=CCOc1cccc(c1)CNCC2CC2 270004a_100000735609_100000172103 [0,1,1,0,0,0|1,0,1]=4 2240 B17R2.59576 C=CCSc1cccc(c1)CNCC2CC2 62a_100000210623_100000712819 [0,1,1,0,0,0|1,0,1]=4 2241 B17R2.59576 C=CCSc1cccc(c1)CNCC2CC2 62a_100000712819_100000210623 [0,1,1,0,0,0|1,0,1]=4 2242 B17R2.59576 CSCSc1cccc(c1)CNCC2CC2 62a_100000712819_100011218213 [0,1,1,0,0,0|1,0,1]=4 2243 B17R2.59576 CSCSc1cccc(c1)CNCC2CC2 62a_100011218213_100000712819 [0,1,1,0,0,0|1,0,1]=4 2244 B17R2.59576 O=CCSc1cccc(c1)CNCC2CC2 62a_100000712819_200015260668 [0,1,1,0,0,0|0,1,1]=4 2245 B17R2.59576 O=CCSc1cccc(c1)CNCC2CC2 62a_200015260668_100000712819 [0,1,1,0,0,0|0,1,1]=4 2246 B17R2.60515 CC(=Cc1cccc(c1)CNCC2CC2)C 271570a_100102525489_100000712819 [0,1,1,0,0,0|1,0,0]=3 2247 B17R2.60515 CC(=O)Nc1cccc(c1)CNCC2CC2 207a_100000735609_100011257792 [0,1,1,0,0,0|1,1,0]=4 2248 B17R2.60515 CC(=O)Nc1cccc(c1)CNCC2CC2 2230a_100000740035_100000742324 [0,1,1,0,0,0|1,1,0]=4 2249 B17R2.60515 CC(=O)Nc1cccc(c1)CNCC2CC2 269862a_100000740035_100000741477 [0,1,1,0,0,0|1,1,0]=4 2250 B17R2.60515 CC(=O)Nc1cccc(c1)CNCC2CC2 270004a_100000735609_100011257792 [0,1,1,0,0,0|1,1,0]=4 2251 B17R2.60515 CC(=O)Nc1cccc(c1)CNCC2CC2 34a_100000740035_100000742324 [0,1,1,0,0,0|1,1,0]=4 2252 B17R2.60515 CC(=O)Oc1cccc(c1)CNCC2CC2 207a_100000735609_100000014719 [0,1,1,0,0,0|1,1,0]=4 2253 B17R2.60515 CC(=O)Oc1cccc(c1)CNCC2CC2 2230a_100000735609_200009816940 [0,1,1,0,0,0|1,1,0]=4 2254 B17R2.60515 CC(=O)Oc1cccc(c1)CNCC2CC2 270004a_100000735609_100000014719 [0,1,1,0,0,0|1,1,0]=4 2255 B17R2.60515 CC(=O)Oc1cccc(c1)CNCC2CC2 34a_100000735609_200009816940 [0,1,1,0,0,0|1,1,0]=4 2256 B17R2.29496 C=CCc1ccccc1CNCC2(CC2)C 207a_100000766693_100010619294 [0,1,1,0,0,0|1,0,0]=3 2257 B17R2.29496 C=CCc1ccccc1CNCC2(CC2)C 26a_100000766693_100000211836 [0,1,1,0,0,0|1,0,0]=3 2258 B17R2.29496 C=CCc1ccccc1CNCC2(CC2)C 270004a_100000766693_100010619294 [0,1,1,0,0,0|1,0,0]=3 2259 B17R2.29496 C=CCc1ccccc1CNCC2(CC2)O 207a_100011936951_100010619294 [0,1,1,0,0,0|1,0,0]=3 2260 B17R2.29496 C=CCc1ccccc1CNCC2(CC2)O 270004a_100011936951_100010619294 [0,1,1,0,0,0|1,0,0]=3 2261 B17R2.47042 C=CCc1ccccc1CNC(C)C2CC2 207a_100000700016_100010619294 [0,1,1,0,0,0|1,0,0]=3 2262 B17R2.47042 C=CCc1ccccc1CNC(C)C2CC2 270004a_100000700016_100010619294 [0,1,1,0,0,0|1,0,0]=3 2263 B17R2.47047 C=CCc1ccccc1CN(C)CC2CC2 26a_100000741881_100000211836 [0,1,1,0,0,0|1,0,0]=3 2264 B17R2.47047 C=CCc1ccccc1CN(C)CC2CC2 270004a_100000741881_100010619294 [0,1,1,0,0,0|1,0,0]=3 2265 B17R2.59770 C=CCOc1ccccc1CNCC2CC2 207a_100000735609_100000172050 [0,1,1,0,0,0|0,1,0]=3 2266 B17R2.59770 C=CCOc1ccccc1CNCC2CC2 270004a_100000735609_100000172050 [0,1,1,0,0,0|0,1,0]=3 2267 B17R2.59770 C=CCOc1ccccc1COCC2CC2 34a_100000246290_100000742324 [0,1,1,0,0,0|1,1,0]=4 2268 B17R2.59770 C=CCOc1ccccc1COCC2CC2 7a_100000246290_100000742324 [0,1,1,0,0,0|1,1,0]=4 2269 B17R2.59770 C=CCSc1ccccc1NCCC2CC2 2230a_100000198565_100000694398 [0,1,1,0,0,0|2,0,0]=4 2270 B17R2.59770 C=CCSc1ccccc1NCCC2CC2 7a_100000198565_100000764125 [0,1,1,0,0,0|2,0,0]=4 2271 B17R2.60647 CC(=O)Oc1ccccc1CNCC2CC2 270004a_100000735609_100009864558 [0,1,1,0,0,0|0,1,1]=4 2272 B17R2.60647 O=C(O)Cc1ccccc1CNCC2CC2 269956a_100000688124_100000742324 [0,1,1,0,0,0|2,0,0]=4 2273 B17R3.1882 Cc1c[nH]c2c1cccc2SCC3CC3 62a_100000756562_100010186758 [0,1,0,0,1,0|2,0,0]=4 2274 B17R3.1882 Cc1csc2c1ncnc2NCC3CC3 27a_100000735609_100000041020 [0,1,0,0,1,0|2,0,0]=4 2275 B17R3.1882 Cn1ccc2c1cccc2CNC3CC3 34a_100011934857_100000211595 [0,1,0,0,1,0|2,0,0]=4 2276 B17R3.1882 Cn1ccc2c1cccc2NCC3CC3 34a_100000750317_100000742324 [0,1,0,0,1,0|2,0,0]=4 2277 B17R3.1882 O=C1NCc2c1cccc2NCC3CC3 2230a_100000087543_100000742324 [0,1,0,0,1,0|2,0,0]=4 2278 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2[nH]nc3 2230a_100025746932_100000099550 [0,1,0,0,1,0|2,0,0]=4 2279 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2[nH]nc3 34a_100025746932_100000099550 [0,1,0,0,1,0|2,0,0]=4 2280 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2ncs3 2230a_100025746932_100010883896 [0,1,0,0,1,0|2,0,0]=4 2281 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2ncs3 34a_100025746932_100010883896 [0,1,0,0,1,0|2,0,0]=4 2282 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2scc3 2230a_100025746932_100009816938 [0,1,0,0,1,0|0,0,0]=2 2283 B17R3.2985 F[C@@H]1C[C@H]1NCc2cccc3c2scc3 34a_100025746932_100009816938 [0,1,0,0,1,0|0,0,0]=2 2284 B17R3.2985 F[C@H]1C[C@H]1NCc2cccc3c2[nH]nc3 2230a_100015190264_100000099550 [0,1,0,0,1,0|2,0,0]=4 2285 B17R3.2985 F[C@H]1C[C@H]1NCc2cccc3c2ncs3 2230a_100015190264_100010883896 [0,1,0,0,1,0|2,0,0]=4 2286 B17R3.2985 F[C@H]1C[C@H]1NCc2cccc3c2scc3 2230a_100015190264_100009816938 [0,1,0,0,1,0|0,0,0]=2 2287 B17R3.4630 Cc1cc(c2occc2c1)SCC3CC3 62a_100000756562_100012361857 [0,1,0,0,1,0|1,1,0]=4 2288 B17R3.4630 Cc1nc(c2sccc2n1)NCC3CC3 27a_100000735609_100012000418 [0,1,0,0,1,0|2,0,0]=4 2289 B17R3.4630 Fc1cc(c2[nH]ccc2c1)SCC3CC3 62a_100000756562_100010138379 [0,1,0,0,1,0|2,0,0]=4 2290 B17R3.4630 Fc1cc(c2cc[nH]c2c1)NCC3CC3 34a_100000085186_100000742324 [0,1,0,0,1,0|2,0,0]=4 2291 B17R3.4630 Fc1cc(c2nccn2c1)NCC3CC3 27a_100000735609_100010289905 [0,1,0,0,1,0|2,0,0]=4 2292 B17R3.4630 Fc1cc(c2occc2c1)SCC3CC3 62a_100000756562_100011935139 [0,1,0,0,1,0|1,1,0]=4 2293 B17R3.4630 Nc1cc(c2scnc2c1)SCC3CC3 62a_100000756562_200010333430 [0,1,0,0,1,0|2,0,0]=4 2294 B17R3.4630 Nc1cc(c2scnc2c1)SCC3CC3 62a_200010333430_100000742324 [0,1,0,0,1,0|2,0,0]=4 2295 B17R3.4630 Oc1cc(c2occc2c1)SCC3CC3 62a_100000756562_200010248604 [0,1,0,0,1,0|1,1,0]=4 2296 B17R3.5236 CC1=Cc2cccc(c2C1)SCC3CC3 62a_100010271545_100000742324 [0,1,0,0,1,0|2,0,0]=4 2297 B17R3.5236 Cc1cc2cccc(c2o1)NCC3CC3 34a_200015185323_100000742324 [0,1,0,0,1,0|0,1,0]=3 2298 B17R3.5236 Cc1cc2cccc(c2o1)NCC3CO3 34a_200015185323_102125554688 [0,1,0,0,1,0|1,1,0]=4 2299 B17R3.5236 Cc1cc2ncnc(c2s1)NCC3CC3 27a_100000735609_200009846640 [0,1,0,0,1,0|2,0,0]=4 2300 B17R3.5236 Cc1nc2c(cccc2o1)NCC3CC3 34a_100011934982_100000742324 [0,1,0,0,1,0|2,0,0]=4 2301 B17R3.5236 Cc1nc2cccc(c2s1)SCC3CC3 62a_100000756562_100010236699 [0,1,0,0,1,0|2,0,0]=4 2302 B17R3.5236 Cc1nc2cccc(c2s1)SCC3CC3 62a_100010236699_100000742324 [0,1,0,0,1,0|2,0,0]=4 2303 B17R3.5236 Cn1cc2cccc(c2n1)NCC3CC3 34a_103496549576_100000742324 [0,1,0,0,1,0|2,0,0]=4 2304 B17R3.5236 Nc1cc2cccc(c2s1)C#CC3CC3 271570a_200009880635_100010090802 [0,1,0,0,1,0|0,0,2]=4 2305 B17R3.5236 Nc1cc2cccc(c2s1)C=CC3CC3 271570a_100102526188_100010090802 [0,1,0,0,1,0|0,0,2]=4 2306 B17R3.5236 Nc1cc2cccc(c2s1)SCC3CC3 62a_100010090802_100000742324 [0,1,0,0,1,0|1,0,0]=3 2307 B17R3.5236 Nc1cc2cccc(c2s1)SCC3CO3 62a_100010090802_102125554688 [0,1,0,0,1,0|2,0,0]=4 2308 B17R3.5236 Nc1cc2cccc(c2s1)SCC3CS3 62a_100010090802_100000031435 [0,1,0,0,1,0|2,0,0]=4 2309 B17R3.5236 Nc1cc2cccc(c2s1)SC[C@@H]3CO3 62a_100010090802_100000745022 [0,1,0,0,1,0|2,0,0]=4 2310 B17R3.5236 Nc1nc2cccc(c2s1)SCC3CC3 62a_100010235960_100000742324 [0,1,0,0,1,0|2,0,0]=4 2311 B17R3.18553 Cc1ccc2cc[nH]c2c1SCC3CC3 62a_100000756562_100010717004 [0,1,0,0,1,0|2,0,0]=4 2312 B17R3.18553 Nc1ccc2ncsc2c1SCC3CC3 62a_100000756562_100010007894 [0,1,0,0,1,0|2,0,0]=4 2313 B17R3.18553 Nc1ccc2ncsc2c1SCC3CC3 62a_100010007894_100000742324 [0,1,0,0,1,0|2,0,0]=4 2314 B17R3.56297 Brc1ccc(c2c1cco2)OCC3CC3 34a_200020711608_100000742324 [0,1,0,0,1,0|1,1,0]=4 2315 B17R3.56297 Brc1ccc(c2c1cco2)OCC3CC3 7a_200020711608_100000742324 [0,1,0,0,1,0|1,1,0]=4 2316 B17R3.56297 Cc1ccc(c2c1cc[nH]2)SCC3CC3 62a_100000756562_100010219157 [0,1,0,0,1,0|2,0,0]=4 2317 B17R3.56297 Cc1ccc(c2c1cco2)SCC3CC3 62a_100000756562_100010253976 [0,1,0,0,1,0|1,1,0]=4 2318 B17R3.56297 Fc1ccc(c2c1cc[nH]2)SCC3CC3 62a_100000756562_100010138378 [0,1,0,0,1,0|2,0,0]=4 2319 B17R3.56297 Fc1ccc(c2c1cco2)SCC3CC3 62a_100000756562_100012355473 [0,1,0,0,1,0|1,1,0]=4 2320 B17R3.212234 CC1(CC1)CNc2ccnc3c2scc3 27a_100000766693_100000764135 [0,1,0,0,1,0|1,0,0]=3 2321 B17R3.212234 CC1(CC1)CNc2nccc3c2scc3 27a_100000766693_100000117209 [0,1,0,0,1,0|1,0,0]=3 2322 B17R3.212234 CC1(CC1)CNc2ncnc3c2scc3 27a_100000766693_100000234879 [0,1,0,0,1,0|2,0,0]=4 2323 B17R3.212234 CC1(CC1)NCc2cccc3c2[nH]cc3 207a_100000757604_100000750900 [0,1,0,0,1,0|1,0,0]=3 2324 B17R3.212234 CC1(CC1)NCc2cccc3c2[nH]cn3 207a_100000757604_100000100021 [0,1,0,0,1,0|2,0,0]=4 2325 B17R3.212234 CC1(CC1)NCc2cccc3c2[nH]nc3 207a_100000757604_100000068382 [0,1,0,0,1,0|2,0,0]=4 2326 B17R3.212234 CC1(CC1)NCc2cccc3c2[nH]nc3 2230a_100000757604_100000099550 [0,1,0,0,1,0|2,0,0]=4 2327 B17R3.212234 CC1(CC1)NCc2cccc3c2cc[nH]3 207a_100000757604_100000750904 [0,1,0,0,1,0|2,0,0]=4 2328 B17R3.212234 CC1(CC1)NCc2cccc3c2ccs3 207a_100000757604_100009860987 [0,1,0,0,1,0|2,0,0]=4 2329 B17R3.212234 CC1(CC1)NCc2cccc3c2ncs3 2230a_100000757604_100010883896 [0,1,0,0,1,0|2,0,0]=4 2330 B17R3.212234 CC1(CC1)NCc2cccc3c2occ3 207a_100000757604_100000050329 [0,1,0,0,1,0|0,1,0]=3 2331 B17R3.212234 CC1(CC1)NCc2cccc3c2scc3 207a_100000757604_100011934923 [0,1,0,0,1,0|0,0,0]=2 2332 B17R3.212234 CC1(CC1)NCc2cccc3c2scc3 2230a_100000757604_100009816938 [0,1,0,0,1,0|0,0,0]=2 2333 B17R3.212234 CC1(CC1)NCc2cccc3n2ncc3 207a_100000757604_100000047034 [0,1,0,0,1,0|2,0,0]=4 2334 B17R3.212234 CC1(CC1)NCc2cccn3c2ncc3 207a_100000757604_100000084367 [0,1,0,0,1,0|2,0,0]=4 2335 B17R3.212234 CC1(CC1)OCc2cccc3c2scc3 7a_100011725673_100009816938 [0,1,0,0,1,0|1,0,0]=3 2336 B17R3.212234 CC1(CO1)CNc2cccc3c2scn3 34a_100000099145_100000760498 [0,1,0,0,1,0|2,0,0]=4 2337 B17R3.212234 CC1(CO1)CSc2cccc3c2scc3 62a_100000760498_100000766737 [0,1,0,0,1,0|2,0,0]=4 2338 B17R3.212234 OC1(CC1)CNc2ccnc3c2scc3 27a_100011936951_100000764135 [0,1,0,0,1,0|1,0,0]=3 2339 B17R3.212234 OC1(CC1)CNc2nccc3c2scc3 27a_100011936951_100000117209 [0,1,0,0,1,0|1,0,0]=3 2340 B17R3.212234 OC1(CC1)CNc2ncnc3c2scc3 27a_100011936951_100000234879 [0,1,0,0,1,0|2,0,0]=4 2341 B17R3.274315 Cn1ccc2c1c(ccc2)CNC3CC3 34a_100011935268_100000211595 [0,1,0,0,1,0|1,0,0]=3 2342 B17R3.274315 Cn1ccc2c1c(ccc2)SCC3CC3 62a_100000756562_100009817156 [0,1,0,0,1,0|2,0,0]=4 2343 B17R3.274315 Cn1ncc2c1c(ccc2)CNC3CC3 34a_102516457515_100000211595 [0,1,0,0,1,0|2,0,0]=4 2344 B17R3.274315 Cn1ncc2c1c(ccc2)NCC3CC3 34a_100000070538_100000742324 [0,1,0,0,1,0|2,0,0]=4 2345 B17R3.483750 CN(CC1CC1)c2ccnc3c2scc3 27a_100000741881_100000764135 [0,1,0,0,1,0|1,0,0]=3 2346 B17R3.483750 CN(CC1CC1)c2nccc3c2scc3 27a_100000741881_100000117209 [0,1,0,0,1,0|1,0,0]=3 2347 B17R3.483750 CN(CC1CC1)c2ncnc3c2scc3 27a_100000741881_100000234879 [0,1,0,0,1,0|2,0,0]=4 2348 B17R3.483750 O=C(CC1CC1)c2cccc3c2[nH]cc3 1458a_100000027293_100000742324 [0,1,0,0,1,0|1,0,1]=4 2349 B17R3.483750 O=C(CC1CC1)c2cccc3c2occ3 1458a_100000098497_100000742324 [0,1,0,0,1,0|0,1,1]=4 2350 B17R3.483750 O=C(CC1CC1)c2cccc3c2scc3 1458a_100000766736_100000742324 [0,1,0,0,1,0|0,0,1]=3 2351 B17R3.483750 O=C(CC1CC1)c2cccc3c2scn3 1458a_100009859901_100000742324 [0,1,0,0,1,0|1,0,1]=4 2352 B17R3.483750 O=C(CC1CO1)c2cccc3c2scc3 1458a_100000766736_100011216344 [0,1,0,0,1,0|1,0,1]=4 2353 B17R3.483750 O=C(CC1CS1)c2cccc3c2scc3 1458a_100000766736_100000031435 [0,1,0,0,1,0|1,0,1]=4 2354 B17R3.483750 O=C(C[C@@H]1CO1)c2cccc3c2scc3 1458a_100000766736_100000745022 [0,1,0,0,1,0|1,0,1]=4 2355 B17R3.483750 O=C(NC1CC1)c2cccc3c2[nH]cc3 240690a_100000212008_100000027293 [0,1,0,0,1,0|1,0,1]=4 2356 B17R3.483750 O=C(NC1CC1)c2cccc3c2[nH]cc3 527a_100000212008_100000027293 [0,1,0,0,1,0|1,0,1]=4 2357 B17R3.483750 O=C(NC1CC1)c2cccc3c2occ3 1626a_100000212008_100000098497 [0,1,0,0,1,0|0,1,1]=4 2358 B17R3.483750 O=C(NC1CC1)c2cccc3c2occ3 240690a_100000212008_100000098497 [0,1,0,0,1,0|0,1,1]=4 2359 B17R3.483750 O=C(NC1CC1)c2cccc3c2occ3 527a_100000212008_100000098497 [0,1,0,0,1,0|0,1,1]=4 2360 B17R3.483750 O=C(NC1CC1)c2cccc3c2scc3 1626a_100000212008_100000766736 [0,1,0,0,1,0|0,0,1]=3 2361 B17R3.483750 O=C(NC1CC1)c2cccc3c2scc3 240690a_100000212008_100000766736 [0,1,0,0,1,0|0,0,1]=3 2362 B17R3.483750 O=C(NC1CC1)c2cccc3c2scc3 527a_100000212008_100000766736 [0,1,0,0,1,0|0,0,1]=3 2363 B17R3.483750 O=C(NC1CC1)c2cccc3c2scn3 1626a_100000212008_100009859901 [0,1,0,0,1,0|1,0,1]=4 2364 B17R3.483750 O=C(NC1CC1)c2cccc3c2scn3 240690a_100000212008_100009859901 [0,1,0,0,1,0|1,0,1]=4 2365 B17R3.483750 O=C(NC1CC1)c2cccc3c2scn3 527a_100000212008_100009859901 [0,1,0,0,1,0|1,0,1]=4 2366 B17R3.484355 CC(Nc1ccnc2c1scc2)C3CC3 27a_100000700016_100000764135 [0,1,0,0,1,0|1,0,0]=3 2367 B17R3.484355 CC(Nc1nccc2c1scc2)C3CC3 27a_100000700016_100000117209 [0,1,0,0,1,0|1,0,0]=3 2368 B17R3.484355 CC(Nc1ncnc2c1scc2)C3CC3 27a_100000700016_100000234879 [0,1,0,0,1,0|2,0,0]=4 2369 B17R3.484355 CN(Cc1cccc2c1[nH]cc2)C3CC3 270004a_100000226674_100000750900 [0,1,0,0,1,0|1,0,0]=3 2370 B17R3.484355 CN(Cc1cccc2c1[nH]cn2)C3CC3 270004a_100000226674_100000100021 [0,1,0,0,1,0|2,0,0]=4 2371 B17R3.484355 CN(Cc1cccc2c1[nH]nc2)C3CC3 2230a_100000226674_100000099550 [0,1,0,0,1,0|2,0,0]=4 2372 B17R3.484355 CN(Cc1cccc2c1[nH]nc2)C3CC3 269982a_100000226674_100000099550 [0,1,0,0,1,0|2,0,0]=4 2373 B17R3.484355 CN(Cc1cccc2c1[nH]nc2)C3CC3 270004a_100000226674_100000068382 [0,1,0,0,1,0|2,0,0]=4 2374 B17R3.484355 CN(Cc1cccc2c1cc[nH]2)C3CC3 269982a_100000719444_100000211595 [0,1,0,0,1,0|2,0,0]=4 2375 B17R3.484355 CN(Cc1cccc2c1ccs2)C3CC3 270004a_100000226674_100009860987 [0,1,0,0,1,0|2,0,0]=4 2376 B17R3.484355 CN(Cc1cccc2c1ncs2)C3CC3 2230a_100000226674_100010883896 [0,1,0,0,1,0|2,0,0]=4 2377 B17R3.484355 CN(Cc1cccc2c1ncs2)C3CC3 269982a_100000226674_100010883896 [0,1,0,0,1,0|2,0,0]=4 2378 B17R3.484355 CN(Cc1cccc2c1occ2)C3CC3 270004a_100000226674_100000050329 [0,1,0,0,1,0|0,1,0]=3 2379 B17R3.484355 CN(Cc1cccc2c1scc2)C3CC3 2230a_100000226674_100009816938 [0,1,0,0,1,0|0,0,0]=2 2380 B17R3.484355 CN(Cc1cccc2c1scc2)C3CC3 269982a_100000226674_100009816938 [0,1,0,0,1,0|0,0,0]=2 2381 B17R3.484355 CN(Cc1cccc2c1scc2)C3CC3 270004a_100000226674_100011934923 [0,1,0,0,1,0|0,0,0]=2 2382 B17R3.484355 CN(Cc1cccc2n1ncc2)C3CC3 270004a_100000226674_100000047034 [0,1,0,0,1,0|2,0,0]=4 2383 B17R3.484355 CN(Cc1cccn2c1ncc2)C3CC3 270004a_100000226674_100000084367 [0,1,0,0,1,0|2,0,0]=4 2384 B17R3.484355 O=C(Cc1cccc2c1scc2)C3CC3 1458a_100000210395_100009816938 [0,1,0,0,1,0|0,0,1]=3 2385 B17R3.484355 O=C(Cc1cccc2c1scc2)C3CO3 1458a_100000701028_100009816938 [0,1,0,0,1,0|1,0,1]=4 2386 B17R3.484355 O=C(Nc1cccc2c1[nH]cc2)C3CC3 11a_100000685717_100000210395 [0,1,0,0,1,0|1,0,1]=4 2387 B17R3.484355 O=C(Nc1cccc2c1[nH]cc2)C3CC3 1626a_100000685717_100000210395 [0,1,0,0,1,0|1,0,1]=4 2388 B17R3.484355 O=C(Nc1cccc2c1[nH]cc2)C3CC3 22a_100000685717_100000210395 [0,1,0,0,1,0|1,0,1]=4 2389 B17R3.484355 O=C(Nc1cccc2c1[nH]cc2)C3CC3 527a_100000685717_100000210395 [0,1,0,0,1,0|1,0,1]=4 2390 B17R3.484355 O=C(Nc1cccc2c1scn2)C3CC3 11a_100000099145_100000210395 [0,1,0,0,1,0|1,0,1]=4 2391 B17R3.484355 O=C(Nc1cccc2c1scn2)C3CC3 1626a_100000099145_100000210395 [0,1,0,0,1,0|1,0,1]=4 2392 B17R3.484355 O=C(Nc1cccc2c1scn2)C3CC3 22a_100000099145_100000210395 [0,1,0,0,1,0|1,0,1]=4 2393 B19R3.304 CC1CC1COCc2cccc3c2cccc3 34a_100000744939_100011261445 [0,1,0,0,0,1|2,0,0]=4 2394 B19R3.304 CC1CC1COCc2cccc3c2cccc3 7a_100000744939_100011261445 [0,1,0,0,0,1|2,0,0]=4 2395 B19R3.304 CC1CC1COCc2cccc3c2ccnc3 34a_100000744939_100016989825 [0,1,0,0,0,1|2,0,0]=4 2396 B19R3.304 CC1CC1COCc2cccc3c2ccnc3 7a_100000744939_100016989825 [0,1,0,0,0,1|2,0,0]=4 2397 B19R3.304 CC1CC1COCc2cccc3c2nccc3 34a_100000744939_100000241032 [0,1,0,0,0,1|2,0,0]=4 2398 B19R3.304 CC1CC1COCc2cccc3c2nccc3 7a_100000744939_100000241032 [0,1,0,0,0,1|2,0,0]=4 2399 B19R3.8276 Fc1cccc2c1cccc2CNCC3CC3 207a_100000735609_200102526217 [0,1,0,0,0,1|1,0,0]=3 2400 B19R3.8276 Fc1cccc2c1cccc2CNCC3CC3 270004a_100000735609_200102526217 [0,1,0,0,0,1|1,0,0]=3 2401 B19R3.22105 CN(Cc1cccc2c1CC=CC2)CC3CC3 26a_100000741881_100000074931 [0,1,0,0,0,1|1,0,0]=3 2402 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CC3 2230a_100000741213_100000742324 [0,1,0,0,0,1|1,0,0]=3 2403 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CC3 2230a_100000741881_100011261445 [0,1,0,0,0,1|1,0,0]=3 2404 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CC3 269982a_100000741213_100000756562 [0,1,0,0,0,1|1,0,0]=3 2405 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CC3 269982a_100000741881_100000188474 [0,1,0,0,0,1|1,0,0]=3 2406 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CC3 270004a_100000741881_100000210074 [0,1,0,0,0,1|1,0,0]=3 2407 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CO3 2230a_100000741213_100011216344 [0,1,0,0,0,1|2,0,0]=4 2408 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CO3 269982a_100000741213_102125554688 [0,1,0,0,0,1|2,0,0]=4 2409 B19R3.22105 CN(Cc1cccc2c1cccc2)CC3CS3 269982a_100000741213_100000031435 [0,1,0,0,0,1|2,0,0]=4 2410 B19R3.22105 CN(Cc1cccc2c1cccc2)C[C@@H]3CO3 269982a_100000741213_100000745022 [0,1,0,0,0,1|2,0,0]=4 2411 B19R3.22105 CN(Cc1cccc2c1cccn2)CC3CC3 2230a_100011647598_100000742324 [0,1,0,0,0,1|1,0,0]=3 2412 B19R3.22105 CN(Cc1cccc2c1cccn2)CC3CC3 269982a_100011647598_100000756562 [0,1,0,0,0,1|1,0,0]=3 2413 B19R3.22105 CN(Cc1cccc2c1cccn2)CC3CC3 270004a_100000741881_100000708479 [0,1,0,0,0,1|1,0,0]=3 2414 B19R3.22105 CN(Cc1cccc2c1cccn2)CC3CO3 2230a_100011647598_100011216344 [0,1,0,0,0,1|2,0,0]=4 2415 B19R3.22105 CN(Cc1cccc2c1cccn2)CC3CO3 269982a_100011647598_102125554688 [0,1,0,0,0,1|2,0,0]=4 2416 B19R3.22105 CN(Cc1cccc2c1cccn2)CC3CS3 269982a_100011647598_100000031435 [0,1,0,0,0,1|2,0,0]=4 2417 B19R3.22105 CN(Cc1cccc2c1cccn2)C[C@@H]3CO3 269982a_100011647598_100000745022 [0,1,0,0,0,1|2,0,0]=4 2418 B19R3.22105 CN(Cc1cccc2c1ccnc2)CC3CC3 2230a_100000741881_100016989825 [0,1,0,0,0,1|1,0,0]=3 2419 B19R3.22105 CN(Cc1cccc2c1ccnc2)CC3CC3 2230a_100011757366_100000742324 [0,1,0,0,0,1|1,0,0]=3 2420 B19R3.22105 CN(Cc1cccc2c1ccnc2)CC3CC3 269982a_100000741881_100016989825 [0,1,0,0,0,1|1,0,0]=3 2421 B19R3.22105 CN(Cc1cccc2c1ccnc2)CC3CC3 269982a_100011757366_100000756562 [0,1,0,0,0,1|1,0,0]=3 2422 B19R3.22105 CN(Cc1cccc2c1ccnc2)CC3CC3 270004a_100000741881_100000750165 [0,1,0,0,0,1|1,0,0]=3 2423 B19R3.22105 CN(Cc1cccc2c1ccnc2)CC3CO3 2230a_100011757366_100011216344 [0,1,0,0,0,1|2,0,0]=4 2424 B19R3.22105 CN(Cc1cccc2c1ccnc2)CC3CO3 269982a_100011757366_102125554688 [0,1,0,0,0,1|2,0,0]=4 2425 B19R3.22105 CN(Cc1cccc2c1ccnc2)CC3CS3 269982a_100011757366_100000031435 [0,1,0,0,0,1|2,0,0]=4 2426 B19R3.22105 CN(Cc1cccc2c1ccnc2)C[C@@H]3CO3 269982a_100011757366_100000745022 [0,1,0,0,0,1|2,0,0]=4 2427 B19R3.22105 CN(Cc1cccc2c1cncc2)CC3CC3 270004a_100000741881_100011934574 [0,1,0,0,0,1|1,0,0]=3 2428 B19R3.22105 CN(Cc1cccc2c1nccc2)CC3CC3 2230a_100000741881_100000241032 [0,1,0,0,0,1|1,0,0]=3 2429 B19R3.22105 CN(Cc1cccc2c1nccc2)CC3CC3 2230a_102515433035_100000742324 [0,1,0,0,0,1|1,0,0]=3 2430 B19R3.22105 CN(Cc1cccc2c1nccc2)CC3CC3 269982a_100000741881_100000241032 [0,1,0,0,0,1|1,0,0]=3 2431 B19R3.22105 CN(Cc1cccc2c1nccc2)CC3CC3 269982a_102515433035_100000756562 [0,1,0,0,0,1|1,0,0]=3 2432 B19R3.22105 CN(Cc1cccc2c1nccc2)CC3CC3 270004a_100000741881_100000239888 [0,1,0,0,0,1|1,0,0]=3 2433 B19R3.22105 CN(Cc1cccc2c1nccc2)CC3CO3 2230a_102515433035_100011216344 [0,1,0,0,0,1|2,0,0]=4 2434 B19R3.22105 CN(Cc1cccc2c1nccc2)CC3CO3 269982a_102515433035_102125554688 [0,1,0,0,0,1|2,0,0]=4 2435 B19R3.22105 CN(Cc1cccc2c1nccc2)CC3CS3 269982a_102515433035_100000031435 [0,1,0,0,0,1|2,0,0]=4 2436 B19R3.22105 CN(Cc1cccc2c1nccc2)C[C@@H]3CO3 269982a_102515433035_100000745022 [0,1,0,0,0,1|2,0,0]=4 2437 B19R3.22105 CN(Cc1cccc2c1nccn2)CC3CC3 270004a_100000741881_100011996249 [0,1,0,0,0,1|1,0,0]=3 2438 B19R3.22105 CN(Cc1ccnc2c1cccc2)CC3CC3 2230a_100000741881_100015192512 [0,1,0,0,0,1|2,0,0]=4 2439 B19R3.22105 CN(Cc1ccnc2c1cccc2)CC3CC3 2230a_100011649695_100000742324 [0,1,0,0,0,1|2,0,0]=4 2440 B19R3.22105 CN(Cc1ccnc2c1cccc2)CC3CC3 269982a_100000741881_100015192512 [0,1,0,0,0,1|2,0,0]=4 2441 B19R3.22105 CN(Cc1ccnc2c1cccc2)CC3CC3 269982a_100011649695_100000756562 [0,1,0,0,0,1|2,0,0]=4 2442 B19R3.22105 CN(Cc1cncc2c1cccc2)CC3CC3 2230a_114948179032_100000742324 [0,1,0,0,0,1|2,0,0]=4 2443 B19R3.22105 CN(Cc1cncc2c1cccc2)CC3CC3 269982a_114948179032_100000756562 [0,1,0,0,0,1|2,0,0]=4 2444 B19R3.22105 CN(Cc1cncc2c1cccc2)CC3CC3 270004a_100000741881_100000684730 [0,1,0,0,0,1|2,0,0]=4 2445 B19R3.22105 CN(Cc1nccc2c1cccc2)CC3CC3 2230a_100000741881_100000033776 [0,1,0,0,0,1|2,0,0]=4 2446 B19R3.22105 CN(Cc1nccc2c1cccc2)CC3CC3 270004a_100000741881_100011361464 [0,1,0,0,0,1|2,0,0]=4 2447 B19R3.22105 O=C(Cc1cccc2c1cccc2)CC3CC3 1458a_100000186155_100000742324 [0,1,0,0,0,1|2,0,0]=4 2448 B19R3.22105 O=C(Cc1cccc2c1cccc2)CC3CC3 1458a_100000738066_100000188474 [0,1,0,0,0,1|2,0,0]=4 2449 B19R3.22105 O=C(Cc1cccc2c1ccnc2)CC3CC3 1458a_100000738066_100016989825 [0,1,0,0,0,1|2,0,0]=4 2450 B19R3.22105 O=C(Cc1cccc2c1nccc2)CC3CC3 1458a_100000738066_100000241032 [0,1,0,0,0,1|2,0,0]=4 2451 B19R3.66670 CC1(CC1)CNCc2cccc3c2CC=CC3 26a_100000766693_100000074931 [0,1,0,0,0,1|1,0,0]=3 2452 B19R3.66670 CC1(CC1)CNCc2cccc3c2cccc3 207a_100000766693_100000210074 [0,1,0,0,0,1|1,0,0]=3 2453 B19R3.66670 CC1(CC1)CNCc2cccc3c2cccc3 2230a_100000766693_100011261445 [0,1,0,0,0,1|1,0,0]=3 2454 B19R3.66670 CC1(CC1)CNCc2cccc3c2cccc3 270004a_100000766693_100000210074 [0,1,0,0,0,1|1,0,0]=3 2455 B19R3.66670 CC1(CC1)CNCc2cccc3c2cccn3 207a_100000766693_100000708479 [0,1,0,0,0,1|1,0,0]=3 2456 B19R3.66670 CC1(CC1)CNCc2cccc3c2cccn3 270004a_100000766693_100000708479 [0,1,0,0,0,1|1,0,0]=3 2457 B19R3.66670 CC1(CC1)CNCc2cccc3c2ccnc3 207a_100000766693_100000750165 [0,1,0,0,0,1|1,0,0]=3 2458 B19R3.66670 CC1(CC1)CNCc2cccc3c2ccnc3 2230a_100000766693_100016989825 [0,1,0,0,0,1|1,0,0]=3 2459 B19R3.66670 CC1(CC1)CNCc2cccc3c2ccnc3 270004a_100000766693_100000750165 [0,1,0,0,0,1|1,0,0]=3 2460 B19R3.66670 CC1(CC1)CNCc2cccc3c2cncc3 207a_100000766693_100011934574 [0,1,0,0,0,1|1,0,0]=3 2461 B19R3.66670 CC1(CC1)CNCc2cccc3c2cncc3 270004a_100000766693_100011934574 [0,1,0,0,0,1|1,0,0]=3 2462 B19R3.66670 CC1(CC1)CNCc2cccc3c2nccc3 207a_100000766693_100000239888 [0,1,0,0,0,1|1,0,0]=3 2463 B19R3.66670 CC1(CC1)CNCc2cccc3c2nccc3 2230a_100000766693_100000241032 [0,1,0,0,0,1|1,0,0]=3 2464 B19R3.66670 CC1(CC1)CNCc2cccc3c2nccc3 270004a_100000766693_100000239888 [0,1,0,0,0,1|1,0,0]=3 2465 B19R3.66670 CC1(CC1)CNCc2cccc3c2nccn3 270004a_100000766693_100011996249 [0,1,0,0,0,1|1,0,0]=3 2466 B19R3.66670 CC1(CC1)CNCc2ccnc3c2cccc3 2230a_100000766693_100015192512 [0,1,0,0,0,1|2,0,0]=4 2467 B19R3.66670 CC1(CC1)CNCc2cncc3c2cccc3 207a_100000766693_100000684730 [0,1,0,0,0,1|2,0,0]=4 2468 B19R3.66670 CC1(CC1)CNCc2cncc3c2cccc3 270004a_100000766693_100000684730 [0,1,0,0,0,1|2,0,0]=4 2469 B19R3.66670 CC1(CC1)CNCc2nccc3c2cccc3 207a_100000766693_100011361464 [0,1,0,0,0,1|2,0,0]=4 2470 B19R3.66670 CC1(CC1)CNCc2nccc3c2cccc3 2230a_100000766693_100000033776 [0,1,0,0,0,1|2,0,0]=4 2471 B19R3.66670 CC1(CC1)CNCc2nccc3c2cccc3 270004a_100000766693_100011361464 [0,1,0,0,0,1|2,0,0]=4 2472 B19R3.66670 CC1(CC1)COCc2cccc3c2cccc3 7a_100000698024_100011261445 [0,1,0,0,0,1|2,0,0]=4 2473 B19R3.66670 CC1(CC1)COCc2cccc3c2ccnc3 7a_100000698024_100016989825 [0,1,0,0,0,1|2,0,0]=4 2474 B19R3.66670 CC1(CC1)COCc2cccc3c2nccc3 7a_100000698024_100000241032 [0,1,0,0,0,1|2,0,0]=4 2475 B19R3.66670 CC1(CO1)CNCc2cccc3c2cccc3 34a_100000753325_100000760498 [0,1,0,0,0,1|2,0,0]=4 2476 B19R3.66670 FC1(CC1)COCc2cccc3c2cccc3 34a_200000703853_100011261445 [0,1,0,0,0,1|2,0,0]=4 2477 B19R3.66670 FC1(CC1)COCc2cccc3c2cccc3 7a_200000703853_100011261445 [0,1,0,0,0,1|2,0,0]=4 2478 B19R3.66670 FC1(CC1)COCc2cccc3c2ccnc3 34a_200000703853_100016989825 [0,1,0,0,0,1|2,0,0]=4 2479 B19R3.66670 FC1(CC1)COCc2cccc3c2ccnc3 7a_200000703853_100016989825 [0,1,0,0,0,1|2,0,0]=4 2480 B19R3.66670 FC1(CC1)COCc2cccc3c2nccc3 34a_200000703853_100000241032 [0,1,0,0,0,1|2,0,0]=4 2481 B19R3.66670 FC1(CC1)COCc2cccc3c2nccc3 7a_200000703853_100000241032 [0,1,0,0,0,1|2,0,0]=4 2482 B19R3.66670 OC1(CC1)CNCc2cccc3c2cccc3 207a_100011936951_100000210074 [0,1,0,0,0,1|1,0,0]=3 2483 B19R3.66670 OC1(CC1)CNCc2cccc3c2cccc3 2230a_100011936951_100011261445 [0,1,0,0,0,1|1,0,0]=3 2484 B19R3.66670 OC1(CC1)CNCc2cccc3c2cccc3 270004a_100011936951_100000210074 [0,1,0,0,0,1|1,0,0]=3 2485 B19R3.66670 OC1(CC1)CNCc2cccc3c2cccn3 207a_100011936951_100000708479 [0,1,0,0,0,1|1,0,0]=3 2486 B19R3.66670 OC1(CC1)CNCc2cccc3c2cccn3 270004a_100011936951_100000708479 [0,1,0,0,0,1|1,0,0]=3 2487 B19R3.66670 OC1(CC1)CNCc2cccc3c2ccnc3 207a_100011936951_100000750165 [0,1,0,0,0,1|1,0,0]=3 2488 B19R3.66670 OC1(CC1)CNCc2cccc3c2ccnc3 2230a_100011936951_100016989825 [0,1,0,0,0,1|1,0,0]=3 2489 B19R3.66670 OC1(CC1)CNCc2cccc3c2ccnc3 270004a_100011936951_100000750165 [0,1,0,0,0,1|1,0,0]=3 2490 B19R3.66670 OC1(CC1)CNCc2cccc3c2cncc3 207a_100011936951_100011934574 [0,1,0,0,0,1|1,0,0]=3 2491 B19R3.66670 OC1(CC1)CNCc2cccc3c2cncc3 270004a_100011936951_100011934574 [0,1,0,0,0,1|1,0,0]=3 2492 B19R3.66670 OC1(CC1)CNCc2cccc3c2nccc3 207a_100011936951_100000239888 [0,1,0,0,0,1|1,0,0]=3 2493 B19R3.66670 OC1(CC1)CNCc2cccc3c2nccc3 2230a_100011936951_100000241032 [0,1,0,0,0,1|1,0,0]=3 2494 B19R3.66670 OC1(CC1)CNCc2cccc3c2nccc3 270004a_100011936951_100000239888 [0,1,0,0,0,1|1,0,0]=3 2495 B19R3.66670 OC1(CC1)CNCc2cccc3c2nccn3 270004a_100011936951_100011996249 [0,1,0,0,0,1|1,0,0]=3 2496 B19R3.66670 OC1(CC1)CNCc2ccnc3c2cccc3 2230a_100011936951_100015192512 [0,1,0,0,0,1|2,0,0]=4 2497 B19R3.66670 OC1(CC1)CNCc2cncc3c2cccc3 207a_100011936951_100000684730 [0,1,0,0,0,1|2,0,0]=4 2498 B19R3.66670 OC1(CC1)CNCc2cncc3c2cccc3 270004a_100011936951_100000684730 [0,1,0,0,0,1|2,0,0]=4 2499 B19R3.66670 OC1(CC1)CNCc2nccc3c2cccc3 207a_100011936951_100011361464 [0,1,0,0,0,1|2,0,0]=4 2500 B19R3.66670 OC1(CC1)CNCc2nccc3c2cccc3 2230a_100011936951_100000033776 [0,1,0,0,0,1|2,0,0]=4 2501 B19R3.66670 OC1(CC1)CNCc2nccc3c2cccc3 270004a_100011936951_100011361464 [0,1,0,0,0,1|2,0,0]=4 2502 B19R3.158309 Cc1cc(c2ccccc2n1)CNCC3CC3 207a_100000735609_100000752230 [0,1,0,0,0,1|2,0,0]=4 2503 B19R3.158309 Cc1cc(c2ccccc2n1)CNCC3CC3 2230a_100000735609_100000755639 [0,1,0,0,0,1|2,0,0]=4 2504 B19R3.158309 Cc1cc(c2ccccc2n1)CNCC3CC3 34a_100000735609_100000755639 [0,1,0,0,0,1|2,0,0]=4 2505 B19R3.158309 Clc1cc(c2ccccc2n1)CNCC3CC3 2230a_100000735609_200010137201 [0,1,0,0,0,1|2,0,0]=4 2506 B19R3.158309 Oc1cc(c2ccccc2n1)CNCC3CC3 2230a_100000735609_100000187625 [0,1,0,0,0,1|2,0,0]=4 2507 B19R3.191202 Brc1ccc2ccccc2c1CNCC3CC3 207a_100000735609_100010090029 [0,1,0,0,0,1|1,0,0]=3 2508 B19R3.191202 Brc1ccc2ccccc2c1CNCC3CC3 270004a_100000735609_100010090029 [0,1,0,0,0,1|1,0,0]=3 2509 B19R3.191202 Cc1ccc2ccccc2c1CNCC3CC3 207a_100000735609_100011361466 [0,1,0,0,0,1|1,0,0]=3 2510 B19R3.191202 Cc1ccc2ccccc2c1CNCC3CC3 2230a_100000735609_100000689653 [0,1,0,0,0,1|1,0,0]=3 2511 B19R3.191202 Cc1ccc2ccccc2c1CNCC3CC3 270004a_100000735609_100011361466 [0,1,0,0,0,1|1,0,0]=3 2512 B19R3.191202 Cc1ccc2ccccc2c1CNCC3CC3 34a_100000735609_100000689653 [0,1,0,0,0,1|1,0,0]=3 2513 B19R3.191202 Cc1ccc2ccccc2c1COCC3CC3 34a_100000211283_100000689653 [0,1,0,0,0,1|2,0,0]=4 2514 B19R3.191202 Cc1ccc2ccccc2c1CSCC3CC3 62a_100000689653_100000742324 [0,1,0,0,0,1|2,0,0]=4 2515 B19R3.191202 Cc1ccc2ccccc2c1CSCC3CC3 62a_100000756562_100000689653 [0,1,0,0,0,1|2,0,0]=4 2516 B19R3.191202 Clc1ccc2cccnc2c1COCC3CC3 34a_100000698065_100000742324 [0,1,0,0,0,1|2,0,0]=4 2517 B19R3.202720 C[C@H](NCC1CC1)c2cccc3c2cccc3 2230a_100011830313_100000742324 [0,1,0,0,0,1|1,0,0]=3 2518 B19R3.202720 C[C@H](NCC1CC1)c2cccc3c2cccc3 269862a_100011830313_100000741477 [0,1,0,0,0,1|1,0,0]=3 2519 B19R3.202720 C[C@H](NCC1CO1)c2cccc3c2cccc3 2230a_100011830313_100011216344 [0,1,0,0,0,1|2,0,0]=4 2520 B19R3.202720 C[C@H](OCC1CC1)c2cccc3c2cccc3 34a_100011852130_100000742324 [0,1,0,0,0,1|2,0,0]=4 2521 B19R3.202720 C[C@H](OCC1CC1)c2cccc3c2cccc3 7a_100011852130_100000742324 [0,1,0,0,0,1|2,0,0]=4 2522 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccc3 11a_100000735609_100000210949 [0,1,0,0,0,1|1,0,1]=4 2523 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccc3 1626a_100000735609_100000210949 [0,1,0,0,0,1|1,0,1]=4 2524 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccc3 240690a_100000735609_100000210949 [0,1,0,0,0,1|1,0,1]=4 2525 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccc3 527a_100000735609_100000210949 [0,1,0,0,0,1|1,0,1]=4 2526 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccn3 11a_100000735609_100000241005 [0,1,0,0,0,1|1,0,1]=4 2527 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccn3 1626a_100000735609_100000241005 [0,1,0,0,0,1|1,0,1]=4 2528 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccn3 240690a_100000735609_100000241005 [0,1,0,0,0,1|1,0,1]=4 2529 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cccn3 527a_100000735609_100000241005 [0,1,0,0,0,1|1,0,1]=4 2530 B19R3.202720 O=C(NCC1CC1)c2cccc3c2ccnc3 11a_100000735609_100011290933 [0,1,0,0,0,1|1,0,1]=4 2531 B19R3.202720 O=C(NCC1CC1)c2cccc3c2ccnc3 1626a_100000735609_100011290933 [0,1,0,0,0,1|1,0,1]=4 2532 B19R3.202720 O=C(NCC1CC1)c2cccc3c2ccnc3 240690a_100000735609_100011290933 [0,1,0,0,0,1|1,0,1]=4 2533 B19R3.202720 O=C(NCC1CC1)c2cccc3c2ccnc3 527a_100000735609_100011290933 [0,1,0,0,0,1|1,0,1]=4 2534 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cncc3 11a_100000735609_100011356482 [0,1,0,0,0,1|1,0,1]=4 2535 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cncc3 1626a_100000735609_100011356482 [0,1,0,0,0,1|1,0,1]=4 2536 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cncc3 240690a_100000735609_100011356482 [0,1,0,0,0,1|1,0,1]=4 2537 B19R3.202720 O=C(NCC1CC1)c2cccc3c2cncc3 527a_100000735609_100011356482 [0,1,0,0,0,1|1,0,1]=4 2538 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccc3 11a_100000735609_100000195423 [0,1,0,0,0,1|1,0,1]=4 2539 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccc3 1626a_100000735609_100000195423 [0,1,0,0,0,1|1,0,1]=4 2540 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccc3 240690a_100000735609_100000195423 [0,1,0,0,0,1|1,0,1]=4 2541 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccc3 527a_100000735609_100000195423 [0,1,0,0,0,1|1,0,1]=4 2542 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccn3 11a_100000735609_100000048969 [0,1,0,0,0,1|1,0,1]=4 2543 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccn3 1626a_100000735609_100000048969 [0,1,0,0,0,1|1,0,1]=4 2544 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccn3 240690a_100000735609_100000048969 [0,1,0,0,0,1|1,0,1]=4 2545 B19R3.202720 O=C(NCC1CC1)c2cccc3c2nccn3 527a_100000735609_100000048969 [0,1,0,0,0,1|1,0,1]=4 2546 B19R3.425193 Brc1ccc(c2c1cccc2)CNCC3CC3 207a_100000735609_100012359940 [0,1,0,0,0,1|1,0,0]=3 2547 B19R3.425193 Brc1ccc(c2c1cccc2)CNCC3CC3 2230a_100000735609_100012352185 [0,1,0,0,0,1|1,0,0]=3 2548 B19R3.425193 Brc1ccc(c2c1cccc2)CNCC3CC3 269862a_100016995114_100000741477 [0,1,0,0,0,1|1,0,0]=3 2549 B19R3.425193 Brc1ccc(c2c1cccc2)CNCC3CC3 270004a_100000735609_100012359940 [0,1,0,0,0,1|1,0,0]=3 2550 B19R3.425193 Brc1ccc(c2c1cccc2)CNCC3CC3 34a_100000735609_100012352185 [0,1,0,0,0,1|1,0,0]=3 2551 B19R3.425193 Brc1ccc(c2c1cccc2)CNCC3CC3 34a_100016995114_100000742324 [0,1,0,0,0,1|1,0,0]=3 2552 B19R3.425193 Brc1ccc(c2c1cccc2)CNCC3CO3 34a_100016995114_102125554688 [0,1,0,0,0,1|2,0,0]=4 2553 B19R3.425193 Brc1ccc(c2c1cccc2)COCC3CC3 34a_100000211283_100012352185 [0,1,0,0,0,1|2,0,0]=4 2554 B19R3.425193 Brc1ccc(c2c1cccc2)CSCC3CC3 62a_100000756562_100012352185 [0,1,0,0,0,1|2,0,0]=4 2555 B19R3.425193 Brc1ccc(c2c1cccc2)CSCC3CC3 62a_100012352185_100000742324 [0,1,0,0,0,1|2,0,0]=4 2556 B19R3.425193 Brc1ccc(c2c1cccn2)CNCC3CC3 207a_100000735609_100000694311 [0,1,0,0,0,1|1,0,0]=3 2557 B19R3.425193 Brc1ccc(c2c1cccn2)CNCC3CC3 270004a_100000735609_100000694311 [0,1,0,0,0,1|1,0,0]=3 2558 B19R3.425193 Cc1ccc(c2c1cccc2)CNCC3CC3 207a_100000735609_100000188529 [0,1,0,0,0,1|1,0,0]=3 2559 B19R3.425193 Cc1ccc(c2c1cccc2)CNCC3CC3 2230a_100000735609_100012073487 [0,1,0,0,0,1|1,0,0]=3 2560 B19R3.425193 Cc1ccc(c2c1cccc2)CNCC3CC3 270004a_100000735609_100000188529 [0,1,0,0,0,1|1,0,0]=3 2561 B19R3.425193 Cc1ccc(c2c1cccc2)CNCC3CC3 34a_100000735609_100012073487 [0,1,0,0,0,1|1,0,0]=3 2562 B19R3.425193 Cc1ccc(c2c1cccc2)COCC3CC3 34a_100000211283_100012073487 [0,1,0,0,0,1|2,0,0]=4 2563 B19R3.425193 Cc1ccc(c2c1cccc2)COCC3CC3 34a_200011995996_100000742324 [0,1,0,0,0,1|2,0,0]=4 2564 B19R3.425193 Cc1ccc(c2c1cccc2)COCC3CC3 7a_200011995996_100000742324 [0,1,0,0,0,1|2,0,0]=4 2565 B19R3.425193 Cc1ccc(c2c1cccc2)CSCC3CC3 62a_100000756562_100012073487 [0,1,0,0,0,1|2,0,0]=4 2566 B19R3.425193 Cc1ccc(c2c1cccc2)CSCC3CC3 62a_100012073487_100000742324 [0,1,0,0,0,1|2,0,0]=4 2567 B19R3.425193 Clc1ccc(c2c1cccc2)CNCC3CC3 207a_100000735609_100011204464 [0,1,0,0,0,1|1,0,0]=3 2568 B19R3.425193 Clc1ccc(c2c1cccc2)CNCC3CC3 270004a_100000735609_100011204464 [0,1,0,0,0,1|1,0,0]=3 2569 B19R3.425193 Fc1ccc(c2c1cccc2)CNCC3CC3 207a_100000735609_100011934225 [0,1,0,0,0,1|1,0,0]=3 2570 B19R3.425193 Fc1ccc(c2c1cccc2)CNCC3CC3 2230a_100000735609_100011988723 [0,1,0,0,0,1|1,0,0]=3 2571 B19R3.425193 Fc1ccc(c2c1cccc2)CNCC3CC3 270004a_100000735609_100011934225 [0,1,0,0,0,1|1,0,0]=3 2572 B19R3.425193 Fc1ccc(c2c1cccc2)CNCC3CC3 34a_100000735609_100011988723 [0,1,0,0,0,1|1,0,0]=3 2573 B19R3.425193 Fc1ccc(c2c1cccc2)COCC3CC3 34a_100000211283_100011988723 [0,1,0,0,0,1|2,0,0]=4 2574 B19R3.425193 Fc1ccc(c2c1cccc2)COCC3CC3 34a_100011988714_100000742324 [0,1,0,0,0,1|2,0,0]=4 2575 B19R3.425193 Fc1ccc(c2c1cccc2)COCC3CC3 7a_100011988714_100000742324 [0,1,0,0,0,1|2,0,0]=4 2576 B19R3.425193 Fc1ccc(c2c1cccc2)CSCC3CC3 62a_100000756562_100011988723 [0,1,0,0,0,1|2,0,0]=4 2577 B19R3.425193 Fc1ccc(c2c1cccc2)CSCC3CC3 62a_100011988723_100000742324 [0,1,0,0,0,1|2,0,0]=4 2578 B19R3.425193 O=c1[nH]cc(c2c1cccc2)CNCC3CC3 270004a_100000735609_100009868339 [0,1,0,0,0,1|2,0,0]=4 2579 B19R3.425193 Oc1ccc(c2c1nccc2)CNCC3CC3 2230a_100000735609_100000683097 [0,1,0,0,0,1|1,0,0]=3 2580 B19R3.425193 Oc1ccc(c2c1nccc2)CNCC3CC3 34a_100000735609_100000683097 [0,1,0,0,0,1|1,0,0]=3 2581 B19R3.425193 Oc1ccc(c2c1nccc2)COCC3CC3 34a_100000211283_100000683097 [0,1,0,0,0,1|2,0,0]=4 2582 B19R3.425193 Oc1ccc(c2c1nccc2)CSCC3CC3 62a_100000756562_100000683097 [0,1,0,0,0,1|2,0,0]=4 2583 B19R3.678495 CC(NCc1cccc2c1cccc2)C3CC3 207a_100000700016_100000210074 [0,1,0,0,0,1|1,0,0]=3 2584 B19R3.678495 CC(NCc1cccc2c1cccc2)C3CC3 2230a_100000700016_100011261445 [0,1,0,0,0,1|1,0,0]=3 2585 B19R3.678495 CC(NCc1cccc2c1cccc2)C3CC3 269862a_100000753325_100000210639 [0,1,0,0,0,1|1,0,0]=3 2586 B19R3.678495 CC(NCc1cccc2c1cccc2)C3CC3 270004a_100000700016_100000210074 [0,1,0,0,0,1|1,0,0]=3 2587 B19R3.678495 CC(NCc1cccc2c1cccc2)C3CC3 34a_100000700016_100011261445 [0,1,0,0,0,1|1,0,0]=3 2588 B19R3.678495 CC(NCc1cccc2c1cccc2)C3CO3 270004a_100000753325_100000031964 [0,1,0,0,0,1|2,0,0]=4 2589 B19R3.678495 CC(NCc1cccc2c1cccn2)C3CC3 207a_100000700016_100000708479 [0,1,0,0,0,1|1,0,0]=3 2590 B19R3.678495 CC(NCc1cccc2c1cccn2)C3CC3 269862a_100020628785_100000210639 [0,1,0,0,0,1|1,0,0]=3 2591 B19R3.678495 CC(NCc1cccc2c1cccn2)C3CC3 270004a_100000700016_100000708479 [0,1,0,0,0,1|1,0,0]=3 2592 B19R3.678495 CC(NCc1cccc2c1cccn2)C3CO3 270004a_100020628785_100000031964 [0,1,0,0,0,1|2,0,0]=4 2593 B19R3.678495 CC(NCc1cccc2c1ccnc2)C3CC3 207a_100000700016_100000750165 [0,1,0,0,0,1|1,0,0]=3 2594 B19R3.678495 CC(NCc1cccc2c1ccnc2)C3CC3 2230a_100000700016_100016989825 [0,1,0,0,0,1|1,0,0]=3 2595 B19R3.678495 CC(NCc1cccc2c1ccnc2)C3CC3 269862a_100011757365_100000210639 [0,1,0,0,0,1|1,0,0]=3 2596 B19R3.678495 CC(NCc1cccc2c1ccnc2)C3CC3 270004a_100000700016_100000750165 [0,1,0,0,0,1|1,0,0]=3 2597 B19R3.678495 CC(NCc1cccc2c1ccnc2)C3CC3 34a_100000700016_100016989825 [0,1,0,0,0,1|1,0,0]=3 2598 B19R3.678495 CC(NCc1cccc2c1ccnc2)C3CO3 270004a_100011757365_100000031964 [0,1,0,0,0,1|2,0,0]=4 2599 B19R3.678495 CC(NCc1cccc2c1cncc2)C3CC3 207a_100000700016_100011934574 [0,1,0,0,0,1|1,0,0]=3 2600 B19R3.678495 CC(NCc1cccc2c1cncc2)C3CC3 270004a_100000700016_100011934574 [0,1,0,0,0,1|1,0,0]=3 2601 B19R3.678495 CC(NCc1cccc2c1nccc2)C3CC3 207a_100000700016_100000239888 [0,1,0,0,0,1|1,0,0]=3 2602 B19R3.678495 CC(NCc1cccc2c1nccc2)C3CC3 2230a_100000700016_100000241032 [0,1,0,0,0,1|1,0,0]=3 2603 B19R3.678495 CC(NCc1cccc2c1nccc2)C3CC3 269862a_100011195829_100000210639 [0,1,0,0,0,1|1,0,0]=3 2604 B19R3.678495 CC(NCc1cccc2c1nccc2)C3CC3 270004a_100000700016_100000239888 [0,1,0,0,0,1|1,0,0]=3 2605 B19R3.678495 CC(NCc1cccc2c1nccc2)C3CC3 34a_100000700016_100000241032 [0,1,0,0,0,1|1,0,0]=3 2606 B19R3.678495 CC(NCc1cccc2c1nccc2)C3CO3 270004a_100011195829_100000031964 [0,1,0,0,0,1|2,0,0]=4 2607 B19R3.678495 CC(NCc1cccc2c1nccn2)C3CC3 269862a_100012184304_100000210639 [0,1,0,0,0,1|1,0,0]=3 2608 B19R3.678495 CC(NCc1cccc2c1nccn2)C3CC3 270004a_100000700016_100011996249 [0,1,0,0,0,1|1,0,0]=3 2609 B19R3.678495 CC(NCc1cccc2c1nccn2)C3CO3 270004a_100012184304_100000031964 [0,1,0,0,0,1|2,0,0]=4 2610 B19R3.678495 CC(NCc1ccnc2c1cccc2)C3CC3 2230a_100000700016_100015192512 [0,1,0,0,0,1|2,0,0]=4 2611 B19R3.678495 CC(NCc1ccnc2c1cccc2)C3CC3 269862a_100015187208_100000210639 [0,1,0,0,0,1|2,0,0]=4 2612 B19R3.678495 CC(NCc1ccnc2c1cccc2)C3CC3 34a_100000700016_100015192512 [0,1,0,0,0,1|2,0,0]=4 2613 B19R3.678495 CC(NCc1cncc2c1cccc2)C3CC3 207a_100000700016_100000684730 [0,1,0,0,0,1|2,0,0]=4 2614 B19R3.678495 CC(NCc1cncc2c1cccc2)C3CC3 270004a_100000700016_100000684730 [0,1,0,0,0,1|2,0,0]=4 2615 B19R3.678495 CC(NCc1nccc2c1cccc2)C3CC3 207a_100000700016_100011361464 [0,1,0,0,0,1|2,0,0]=4 2616 B19R3.678495 CC(NCc1nccc2c1cccc2)C3CC3 2230a_100000700016_100000033776 [0,1,0,0,0,1|2,0,0]=4 2617 B19R3.678495 CC(NCc1nccc2c1cccc2)C3CC3 270004a_100000700016_100011361464 [0,1,0,0,0,1|2,0,0]=4 2618 B19R3.678495 CC(NCc1nccc2c1cccc2)C3CC3 34a_100000700016_100000033776 [0,1,0,0,0,1|2,0,0]=4 2619 B19R3.678495 CC(OCc1cccc2c1cccc2)C3CC3 34a_100000744524_100011261445 [0,1,0,0,0,1|2,0,0]=4 2620 B19R3.678495 CC(OCc1cccc2c1cccc2)C3CC3 7a_100000744524_100011261445 [0,1,0,0,0,1|2,0,0]=4 2621 B19R3.678495 CC(OCc1cccc2c1ccnc2)C3CC3 34a_100000744524_100016989825 [0,1,0,0,0,1|2,0,0]=4 2622 B19R3.678495 CC(OCc1cccc2c1ccnc2)C3CC3 7a_100000744524_100016989825 [0,1,0,0,0,1|2,0,0]=4 2623 B19R3.678495 CC(OCc1cccc2c1nccc2)C3CC3 34a_100000744524_100000241032 [0,1,0,0,0,1|2,0,0]=4 2624 B19R3.678495 CC(OCc1cccc2c1nccc2)C3CC3 7a_100000744524_100000241032 [0,1,0,0,0,1|2,0,0]=4 2625 B19R3.678495 O=C(NCc1cccc2c1cccc2)C3CC3 11a_100000753325_100000210395 [0,1,0,0,0,1|1,0,1]=4 2626 B19R3.678495 O=C(NCc1cccc2c1cccc2)C3CC3 1626a_100000753325_100000210395 [0,1,0,0,0,1|1,0,1]=4 2627 B19R3.678495 O=C(NCc1cccc2c1cccc2)C3CC3 240690a_100000753325_100000210395 [0,1,0,0,0,1|1,0,1]=4 2628 B19R3.678495 O=C(NCc1cccc2c1cccc2)C3CC3 527a_100000753325_100000210395 [0,1,0,0,0,1|1,0,1]=4 2629 B19R3.678495 O=C(NCc1cccc2c1cccn2)C3CC3 11a_100020628785_100000210395 [0,1,0,0,0,1|1,0,1]=4 2630 B19R3.678495 O=C(NCc1cccc2c1cccn2)C3CC3 1626a_100020628785_100000210395 [0,1,0,0,0,1|1,0,1]=4 2631 B19R3.678495 O=C(NCc1cccc2c1cccn2)C3CC3 240690a_100020628785_100000210395 [0,1,0,0,0,1|1,0,1]=4 2632 B19R3.678495 O=C(NCc1cccc2c1cccn2)C3CC3 527a_100020628785_100000210395 [0,1,0,0,0,1|1,0,1]=4 2633 B19R3.678495 O=C(NCc1cccc2c1ccnc2)C3CC3 11a_100011757365_100000210395 [0,1,0,0,0,1|1,0,1]=4 2634 B19R3.678495 O=C(NCc1cccc2c1ccnc2)C3CC3 1626a_100011757365_100000210395 [0,1,0,0,0,1|1,0,1]=4 2635 B19R3.678495 O=C(NCc1cccc2c1ccnc2)C3CC3 240690a_100011757365_100000210395 [0,1,0,0,0,1|1,0,1]=4 2636 B19R3.678495 O=C(NCc1cccc2c1ccnc2)C3CC3 527a_100011757365_100000210395 [0,1,0,0,0,1|1,0,1]=4 2637 B19R3.678495 O=C(NCc1cccc2c1nccc2)C3CC3 11a_100011195829_100000210395 [0,1,0,0,0,1|1,0,1]=4 2638 B19R3.678495 O=C(NCc1cccc2c1nccc2)C3CC3 1626a_100011195829_100000210395 [0,1,0,0,0,1|1,0,1]=4 2639 B19R3.678495 O=C(NCc1cccc2c1nccc2)C3CC3 240690a_100011195829_100000210395 [0,1,0,0,0,1|1,0,1]=4 2640 B19R3.678495 O=C(NCc1cccc2c1nccc2)C3CC3 527a_100011195829_100000210395 [0,1,0,0,0,1|1,0,1]=4 2641 B19R3.678495 O=C(NCc1cccc2c1nccn2)C3CC3 11a_100012184304_100000210395 [0,1,0,0,0,1|1,0,1]=4 2642 B19R3.678495 O=C(NCc1cccc2c1nccn2)C3CC3 240690a_100012184304_100000210395 [0,1,0,0,0,1|1,0,1]=4 2643 B19R3.678495 O=C(NCc1cccc2c1nccn2)C3CC3 527a_100012184304_100000210395 [0,1,0,0,0,1|1,0,1]=4 2644 B19R3.2162956 Brc1ccc2nccc(c2c1)CNCC3CC3 207a_100000735609_100010176920 [0,1,0,0,0,1|2,0,0]=4 2645 B19R3.9626326 Brc1cccc2c1c(ccc2)COCC3CC3 34a_200009814114_100000742324 [0,1,0,0,0,1|2,0,0]=4 2646 B19R3.9626326 Brc1cccc2c1c(ccc2)COCC3CC3 7a_200009814114_100000742324 [0,1,0,0,0,1|2,0,0]=4 2647 B19R3.9626326 Cc1cccc2c1c(ccc2)CNCC3CC3 207a_100000735609_100009842862 [0,1,0,0,0,1|1,0,0]=3 2648 B19R3.9626326 Cc1cccc2c1c(ccc2)CNCC3CC3 270004a_100000735609_100009842862 [0,1,0,0,0,1|1,0,0]=3 2649 B19R3.9626326 Clc1cccc2c1c(ccc2)CNCC3CC3 207a_100000735609_100009850064 [0,1,0,0,0,1|1,0,0]=3 2650 B19R3.9626326 Clc1cccc2c1c(ccc2)CNCC3CC3 270004a_100000735609_100009850064 [0,1,0,0,0,1|1,0,0]=3 2651 B19R3.2337 Cn1ccc2c1cccc2CNCC3CCC3 269862a_100011934857_100000753134 [0,1,0,0,0,1|2,0,0]=4 2652 B19R3.2337 Cn1ccc2c1cccc2CNCC3CCC3 270004a_100000738700_100011934855 [0,1,0,0,0,1|2,0,0]=4 2653 B19R3.2337 Cn1ccc2c1cccc2CNCC3CCC3 34a_100011934857_100000763275 [0,1,0,0,0,1|2,0,0]=4 2654 B19R3.2337 Cn1ccc2c1cccc2CNCC3CCO3 34a_100011934857_100000103362 [0,1,0,0,0,1|2,0,0]=4 2655 B19R3.2337 Cn1ccc2c1cccc2CNCC3COC3 270004a_100015281925_100011934855 [0,1,0,0,0,1|2,0,0]=4 2656 B19R3.2337 Cn1ccc2c1cccc2CNCC3COC3 34a_100011934857_100010264016 [0,1,0,0,0,1|2,0,0]=4 2657 B19R3.2337 Cn1ccc2c1cccc2CNC[C@@H]3CCO3 270004a_100020831831_100011934855 [0,1,0,0,0,1|2,0,0]=4 2658 B19R3.89776 Fc1ccc2occc2c1CNCC3CCC3 207a_100000738700_100009823865 [0,1,0,0,0,1|2,0,0]=4 2659 B19R3.89776 Fc1ccc2occc2c1CNCC3CCC3 270004a_100000738700_100009823865 [0,1,0,0,0,1|2,0,0]=4 2660 B19R3.89776 Fc1ccc2occc2c1CNCC3COC3 207a_100015281925_100009823865 [0,1,0,0,0,1|2,0,0]=4 2661 B19R3.89776 Fc1ccc2occc2c1CNCC3COC3 270004a_100015281925_100009823865 [0,1,0,0,0,1|2,0,0]=4 2662 B19R3.89776 Fc1ccc2occc2c1CNC[C@@H]3CCO3 207a_100020831831_100009823865 [0,1,0,0,0,1|2,0,0]=4 2663 B19R3.89776 Fc1ccc2occc2c1CNC[C@@H]3CCO3 270004a_100020831831_100009823865 [0,1,0,0,0,1|2,0,0]=4 2664 B19R3.154509 O=C1CCC1CCSc2cccc3c2scc3 62a_200016118888_100000766737 [0,1,0,0,0,1|2,0,0]=4 2665 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]cc3 207a_100102567296_100000750900 [0,1,0,0,0,1|1,0,0]=3 2666 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]cc3 270004a_100102567296_100000750900 [0,1,0,0,0,1|1,0,0]=3 2667 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]cn3 207a_100102567296_100000100021 [0,1,0,0,0,1|2,0,0]=4 2668 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]cn3 270004a_100102567296_100000100021 [0,1,0,0,0,1|2,0,0]=4 2669 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]nc3 207a_100102567296_100000068382 [0,1,0,0,0,1|2,0,0]=4 2670 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]nc3 2230a_100102567296_100000099550 [0,1,0,0,0,1|2,0,0]=4 2671 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]nc3 270004a_100102567296_100000068382 [0,1,0,0,0,1|2,0,0]=4 2672 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2[nH]nc3 34a_100102567296_100000099550 [0,1,0,0,0,1|2,0,0]=4 2673 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2cc[nH]3 207a_100102567296_100000750904 [0,1,0,0,0,1|2,0,0]=4 2674 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2ccs3 207a_100102567296_100009860987 [0,1,0,0,0,1|2,0,0]=4 2675 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2ccs3 270004a_100102567296_100009860987 [0,1,0,0,0,1|2,0,0]=4 2676 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2ncs3 2230a_100102567296_100010883896 [0,1,0,0,0,1|2,0,0]=4 2677 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2ncs3 34a_100102567296_100010883896 [0,1,0,0,0,1|2,0,0]=4 2678 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2occ3 207a_100102567296_100000050329 [0,1,0,0,0,1|0,1,0]=3 2679 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2occ3 270004a_100102567296_100000050329 [0,1,0,0,0,1|0,1,0]=3 2680 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2scc3 207a_100102567296_100011934923 [0,1,0,0,0,1|0,0,0]=2 2681 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2scc3 2230a_100102567296_100009816938 [0,1,0,0,0,1|0,0,0]=2 2682 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2scc3 270004a_100102567296_100011934923 [0,1,0,0,0,1|0,0,0]=2 2683 B19R3.180081 C=C1CC(C1)CNCc2cccc3c2scc3 34a_100102567296_100009816938 [0,1,0,0,0,1|0,0,0]=2 2684 B19R3.180081 C=C1CC(C1)CNCc2cccc3n2ncc3 207a_100102567296_100000047034 [0,1,0,0,0,1|2,0,0]=4 2685 B19R3.180081 C=C1CC(C1)CNCc2cccc3n2ncc3 270004a_100102567296_100000047034 [0,1,0,0,0,1|2,0,0]=4 2686 B19R3.180081 C=C1CC(C1)CNCc2cccn3c2ncc3 207a_100102567296_100000084367 [0,1,0,0,0,1|2,0,0]=4 2687 B19R3.180081 C=C1CC(C1)CNCc2cccn3c2ncc3 270004a_100102567296_100000084367 [0,1,0,0,0,1|2,0,0]=4 2688 B19R3.180081 C=C1CC(C1)COCc2cccc3c2scc3 34a_100011011225_100009816938 [0,1,0,0,0,1|1,0,0]=3 2689 B19R3.180081 CN1CC(C1)CNCc2cccc3c2[nH]cc3 270004a_100000723568_100000750900 [0,1,0,0,0,1|1,0,0]=3 2690 B19R3.180081 CN1CC(C1)CNCc2cccc3c2[nH]cn3 270004a_100000723568_100000100021 [0,1,0,0,0,1|2,0,0]=4 2691 B19R3.180081 CN1CC(C1)CNCc2cccc3c2[nH]nc3 270004a_100000723568_100000068382 [0,1,0,0,0,1|2,0,0]=4 2692 B19R3.180081 CN1CC(C1)CNCc2cccc3c2ccs3 270004a_100000723568_100009860987 [0,1,0,0,0,1|2,0,0]=4 2693 B19R3.180081 CN1CC(C1)CNCc2cccc3c2occ3 270004a_100000723568_100000050329 [0,1,0,0,0,1|0,1,0]=3 2694 B19R3.180081 CN1CC(C1)CNCc2cccc3c2scc3 270004a_100000723568_100011934923 [0,1,0,0,0,1|0,0,0]=2 2695 B19R3.180081 CN1CC(C1)CNCc2cccc3n2ncc3 270004a_100000723568_100000047034 [0,1,0,0,0,1|2,0,0]=4 2696 B19R3.180081 CN1CC(C1)CNCc2cccn3c2ncc3 270004a_100000723568_100000084367 [0,1,0,0,0,1|2,0,0]=4 2697 B19R3.180081 ClC1CC(C1)COCc2cccc3c2scc3 34a_100009874164_100009816938 [0,1,0,0,0,1|1,0,0]=3 2698 B19R3.180081 O=C1CC(C1)COCc2cccc3c2scc3 34a_100000101936_100009816938 [0,1,0,0,0,1|1,0,0]=3 2699 B19R3.180081 O=C1CC(C1)CSCc2cccc3c2scc3 62a_100009874392_100009816938 [0,1,0,0,0,1|1,0,0]=3 2700 B19R3.180081 OC1CC(C1)CNCc2cccc3c2[nH]cc3 207a_100016992100_100000750900 [0,1,0,0,0,1|1,0,0]=3 2701 B19R3.180081 OC1CC(C1)CNCc2cccc3c2[nH]cc3 270004a_100016992100_100000750900 [0,1,0,0,0,1|1,0,0]=3 2702 B19R3.180081 OC1CC(C1)CNCc2cccc3c2[nH]cn3 207a_100016992100_100000100021 [0,1,0,0,0,1|2,0,0]=4 2703 B19R3.180081 OC1CC(C1)CNCc2cccc3c2[nH]cn3 270004a_100016992100_100000100021 [0,1,0,0,0,1|2,0,0]=4 2704 B19R3.180081 OC1CC(C1)CNCc2cccc3c2[nH]nc3 207a_100016992100_100000068382 [0,1,0,0,0,1|2,0,0]=4 2705 B19R3.180081 OC1CC(C1)CNCc2cccc3c2[nH]nc3 2230a_100016992100_100000099550 [0,1,0,0,0,1|2,0,0]=4 2706 B19R3.180081 OC1CC(C1)CNCc2cccc3c2[nH]nc3 270004a_100016992100_100000068382 [0,1,0,0,0,1|2,0,0]=4 2707 B19R3.180081 OC1CC(C1)CNCc2cccc3c2cc[nH]3 207a_100016992100_100000750904 [0,1,0,0,0,1|2,0,0]=4 2708 B19R3.180081 OC1CC(C1)CNCc2cccc3c2ccs3 207a_100016992100_100009860987 [0,1,0,0,0,1|2,0,0]=4 2709 B19R3.180081 OC1CC(C1)CNCc2cccc3c2ccs3 270004a_100016992100_100009860987 [0,1,0,0,0,1|2,0,0]=4 2710 B19R3.180081 OC1CC(C1)CNCc2cccc3c2ncs3 2230a_100016992100_100010883896 [0,1,0,0,0,1|2,0,0]=4 2711 B19R3.180081 OC1CC(C1)CNCc2cccc3c2occ3 207a_100016992100_100000050329 [0,1,0,0,0,1|0,1,0]=3 2712 B19R3.180081 OC1CC(C1)CNCc2cccc3c2occ3 270004a_100016992100_100000050329 [0,1,0,0,0,1|0,1,0]=3 2713 B19R3.180081 OC1CC(C1)CNCc2cccc3c2scc3 207a_100016992100_100011934923 [0,1,0,0,0,1|0,0,0]=2 2714 B19R3.180081 OC1CC(C1)CNCc2cccc3c2scc3 2230a_100016992100_100009816938 [0,1,0,0,0,1|0,0,0]=2 2715 B19R3.180081 OC1CC(C1)CNCc2cccc3c2scc3 270004a_100016992100_100011934923 [0,1,0,0,0,1|0,0,0]=2 2716 B19R3.180081 OC1CC(C1)CNCc2cccc3n2ncc3 207a_100016992100_100000047034 [0,1,0,0,0,1|2,0,0]=4 2717 B19R3.180081 OC1CC(C1)CNCc2cccc3n2ncc3 270004a_100016992100_100000047034 [0,1,0,0,0,1|2,0,0]=4 2718 B19R3.180081 OC1CC(C1)CNCc2cccn3c2ncc3 207a_100016992100_100000084367 [0,1,0,0,0,1|2,0,0]=4 2719 B19R3.180081 OC1CC(C1)CNCc2cccn3c2ncc3 270004a_100016992100_100000084367 [0,1,0,0,0,1|2,0,0]=4 2720 B19R3.202543 CN(Cc1cccc2c1[nH]cc2)CC3CCC3 270004a_200000750244_100000750900 [0,1,0,0,0,1|1,0,0]=3 2721 B19R3.202543 CN(Cc1cccc2c1[nH]cn2)CC3CCC3 270004a_200000750244_100000100021 [0,1,0,0,0,1|2,0,0]=4 2722 B19R3.202543 CN(Cc1cccc2c1[nH]nc2)CC3CCC3 2230a_200000750244_100000099550 [0,1,0,0,0,1|2,0,0]=4 2723 B19R3.202543 CN(Cc1cccc2c1[nH]nc2)CC3CCC3 269982a_200000750244_100000099550 [0,1,0,0,0,1|2,0,0]=4 2724 B19R3.202543 CN(Cc1cccc2c1[nH]nc2)CC3CCC3 270004a_200000750244_100000068382 [0,1,0,0,0,1|2,0,0]=4 2725 B19R3.202543 CN(Cc1cccc2c1[nH]nc2)CC3CCC3 34a_200000750244_100000099550 [0,1,0,0,0,1|2,0,0]=4 2726 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)CC3CCC3 2230a_100000719444_100000763275 [0,1,0,0,0,1|2,0,0]=4 2727 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)CC3CCC3 269982a_100000719444_100000763275 [0,1,0,0,0,1|2,0,0]=4 2728 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)CC3CCO3 2230a_100000719444_100000103362 [0,1,0,0,0,1|2,0,0]=4 2729 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)CC3CCO3 269982a_100000719444_100000103362 [0,1,0,0,0,1|2,0,0]=4 2730 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)CC3COC3 2230a_100000719444_100010264016 [0,1,0,0,0,1|2,0,0]=4 2731 B19R3.202543 CN(Cc1cccc2c1cc[nH]2)CC3COC3 269982a_100000719444_100010264016 [0,1,0,0,0,1|2,0,0]=4 2732 B19R3.202543 CN(Cc1cccc2c1ccs2)CC3CCC3 270004a_200000750244_100009860987 [0,1,0,0,0,1|2,0,0]=4 2733 B19R3.202543 CN(Cc1cccc2c1ncs2)CC3CCC3 2230a_200000750244_100010883896 [0,1,0,0,0,1|2,0,0]=4 2734 B19R3.202543 CN(Cc1cccc2c1ncs2)CC3CCC3 269982a_200000750244_100010883896 [0,1,0,0,0,1|2,0,0]=4 2735 B19R3.202543 CN(Cc1cccc2c1ncs2)CC3CCC3 34a_200000750244_100010883896 [0,1,0,0,0,1|2,0,0]=4 2736 B19R3.202543 CN(Cc1cccc2c1occ2)CC3CCC3 270004a_200000750244_100000050329 [0,1,0,0,0,1|0,1,0]=3 2737 B19R3.202543 CN(Cc1cccc2c1scc2)CC3CCC3 2230a_200000750244_100009816938 [0,1,0,0,0,1|0,0,0]=2 2738 B19R3.202543 CN(Cc1cccc2c1scc2)CC3CCC3 269982a_200000750244_100009816938 [0,1,0,0,0,1|0,0,0]=2 2739 B19R3.202543 CN(Cc1cccc2c1scc2)CC3CCC3 270004a_200000750244_100011934923 [0,1,0,0,0,1|0,0,0]=2 2740 B19R3.202543 CN(Cc1cccc2c1scc2)CC3CCC3 34a_200000750244_100009816938 [0,1,0,0,0,1|0,0,0]=2 2741 B19R3.202543 CN(Cc1cccc2n1ncc2)CC3CCC3 270004a_200000750244_100000047034 [0,1,0,0,0,1|2,0,0]=4 2742 B19R3.202543 CN(Cc1cccn2c1ncc2)CC3CCC3 270004a_200000750244_100000084367 [0,1,0,0,0,1|2,0,0]=4 2743 B19R3.202543 O=C(Cc1cccc2c1scc2)CC3CCC3 1458a_100000763092_100009816938 [0,1,0,0,0,1|1,0,0]=3 2744 B19R3.202543 O=C(Cc1cccc2c1scc2)CC3COC3 1458a_100000687760_100009816938 [0,1,0,0,0,1|1,0,0]=3 2745 B19R3.678125 CC(NCC1CCC1)c2cccc3c2[nH]nc3 269862a_100000738700_100009882832 [0,1,0,0,0,1|2,0,0]=4 2746 B19R3.678125 CC(NCC1COC1)c2cccc3c2[nH]nc3 269862a_100015281925_100009882832 [0,1,0,0,0,1|2,0,0]=4 2747 B19R3.678125 CC(NC[C@@H]1CCO1)c2cccc3c2[nH]nc3 269862a_100020831831_100009882832 [0,1,0,0,0,1|2,0,0]=4 2748 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2[nH]cc3 11a_100000738700_100000027293 [0,1,0,0,0,1|1,0,1]=4 2749 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2[nH]cc3 240690a_100000738700_100000027293 [0,1,0,0,0,1|1,0,1]=4 2750 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2[nH]cc3 527a_100000738700_100000027293 [0,1,0,0,0,1|1,0,1]=4 2751 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2occ3 11a_100000738700_100000098497 [0,1,0,0,0,1|0,1,1]=4 2752 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2occ3 1626a_100000738700_100000098497 [0,1,0,0,0,1|0,1,1]=4 2753 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2occ3 240690a_100000738700_100000098497 [0,1,0,0,0,1|0,1,1]=4 2754 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2occ3 527a_100000738700_100000098497 [0,1,0,0,0,1|0,1,1]=4 2755 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scc3 11a_100000738700_100000766736 [0,1,0,0,0,1|0,0,1]=3 2756 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scc3 1626a_100000738700_100000766736 [0,1,0,0,0,1|0,0,1]=3 2757 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scc3 240690a_100000738700_100000766736 [0,1,0,0,0,1|0,0,1]=3 2758 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scc3 527a_100000738700_100000766736 [0,1,0,0,0,1|0,0,1]=3 2759 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scn3 11a_100000738700_100009859901 [0,1,0,0,0,1|1,0,1]=4 2760 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scn3 1626a_100000738700_100009859901 [0,1,0,0,0,1|1,0,1]=4 2761 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scn3 240690a_100000738700_100009859901 [0,1,0,0,0,1|1,0,1]=4 2762 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scn3 527a_100000738700_100009859901 [0,1,0,0,0,1|1,0,1]=4 2763 B19R3.678125 O=C(NCC1COC1)c2cccc3c2[nH]cc3 11a_100015281925_100000027293 [0,1,0,0,0,1|1,0,1]=4 2764 B19R3.678125 O=C(NCC1COC1)c2cccc3c2[nH]cc3 240690a_100015281925_100000027293 [0,1,0,0,0,1|1,0,1]=4 2765 B19R3.678125 O=C(NCC1COC1)c2cccc3c2[nH]cc3 527a_100015281925_100000027293 [0,1,0,0,0,1|1,0,1]=4 2766 B19R3.678125 O=C(NCC1COC1)c2cccc3c2occ3 11a_100015281925_100000098497 [0,1,0,0,0,1|0,1,1]=4 2767 B19R3.678125 O=C(NCC1COC1)c2cccc3c2occ3 1626a_100015281925_100000098497 [0,1,0,0,0,1|0,1,1]=4 2768 B19R3.678125 O=C(NCC1COC1)c2cccc3c2occ3 240690a_100015281925_100000098497 [0,1,0,0,0,1|0,1,1]=4 2769 B19R3.678125 O=C(NCC1COC1)c2cccc3c2occ3 527a_100015281925_100000098497 [0,1,0,0,0,1|0,1,1]=4 2770 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scc3 11a_100015281925_100000766736 [0,1,0,0,0,1|0,0,1]=3 2771 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scc3 1626a_100015281925_100000766736 [0,1,0,0,0,1|0,0,1]=3 2772 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scc3 240690a_100015281925_100000766736 [0,1,0,0,0,1|0,0,1]=3 2773 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scc3 527a_100015281925_100000766736 [0,1,0,0,0,1|0,0,1]=3 2774 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scn3 11a_100015281925_100009859901 [0,1,0,0,0,1|1,0,1]=4 2775 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scn3 1626a_100015281925_100009859901 [0,1,0,0,0,1|1,0,1]=4 2776 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scn3 240690a_100015281925_100009859901 [0,1,0,0,0,1|1,0,1]=4 2777 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scn3 527a_100015281925_100009859901 [0,1,0,0,0,1|1,0,1]=4 2778 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2[nH]cc3 11a_100020831831_100000027293 [0,1,0,0,0,1|1,0,1]=4 2779 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2[nH]cc3 240690a_100020831831_100000027293 [0,1,0,0,0,1|1,0,1]=4 2780 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2[nH]cc3 527a_100020831831_100000027293 [0,1,0,0,0,1|1,0,1]=4 2781 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2occ3 11a_100020831831_100000098497 [0,1,0,0,0,1|0,1,1]=4 2782 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2occ3 1626a_100020831831_100000098497 [0,1,0,0,0,1|0,1,1]=4 2783 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2occ3 240690a_100020831831_100000098497 [0,1,0,0,0,1|0,1,1]=4 2784 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2occ3 527a_100020831831_100000098497 [0,1,0,0,0,1|0,1,1]=4 2785 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scc3 11a_100020831831_100000766736 [0,1,0,0,0,1|0,0,1]=3 2786 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scc3 1626a_100020831831_100000766736 [0,1,0,0,0,1|0,0,1]=3 2787 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scc3 240690a_100020831831_100000766736 [0,1,0,0,0,1|0,0,1]=3 2788 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scc3 527a_100020831831_100000766736 [0,1,0,0,0,1|0,0,1]=3 2789 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scn3 11a_100020831831_100009859901 [0,1,0,0,0,1|1,0,1]=4 2790 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scn3 1626a_100020831831_100009859901 [0,1,0,0,0,1|1,0,1]=4 2791 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scn3 240690a_100020831831_100009859901 [0,1,0,0,0,1|1,0,1]=4 2792 B19R3.678125 O=C(NC[C@@H]1CCO1)c2cccc3c2scn3 527a_100020831831_100009859901 [0,1,0,0,0,1|1,0,1]=4 2793 B19R3.678125 O=C(NNC1CCC1)c2cccc3c2scc3 22a_100000736358_100000766736 [0,1,0,0,0,1|1,0,1]=4 2794 B19R3.678125 O=C(NNC1COC1)c2cccc3c2scc3 22a_100015188821_100000766736 [0,1,0,0,0,1|1,0,1]=4 2795 B19R3.678500 CC(NCc1cccc2c1[nH]cc2)C3CCC3 207a_100016994624_100000750900 [0,1,0,0,0,1|1,0,0]=3 2796 B19R3.678500 CC(NCc1cccc2c1[nH]cc2)C3CCC3 270004a_100016994624_100000750900 [0,1,0,0,0,1|1,0,0]=3 2797 B19R3.678500 CC(NCc1cccc2c1[nH]cn2)C3CCC3 207a_100016994624_100000100021 [0,1,0,0,0,1|2,0,0]=4 2798 B19R3.678500 CC(NCc1cccc2c1[nH]cn2)C3CCC3 270004a_100016994624_100000100021 [0,1,0,0,0,1|2,0,0]=4 2799 B19R3.678500 CC(NCc1cccc2c1[nH]nc2)C3CCC3 207a_100016994624_100000068382 [0,1,0,0,0,1|2,0,0]=4 2800 B19R3.678500 CC(NCc1cccc2c1[nH]nc2)C3CCC3 2230a_100016994624_100000099550 [0,1,0,0,0,1|2,0,0]=4 2801 B19R3.678500 CC(NCc1cccc2c1[nH]nc2)C3CCC3 269862a_100000099547_100000760154 [0,1,0,0,0,1|2,0,0]=4 2802 B19R3.678500 CC(NCc1cccc2c1[nH]nc2)C3CCC3 270004a_100016994624_100000068382 [0,1,0,0,0,1|2,0,0]=4 2803 B19R3.678500 CC(NCc1cccc2c1[nH]nc2)C3CCC3 34a_100016994624_100000099550 [0,1,0,0,0,1|2,0,0]=4 2804 B19R3.678500 CC(NCc1cccc2c1cc[nH]2)C3CCC3 207a_100016994624_100000750904 [0,1,0,0,0,1|2,0,0]=4 2805 B19R3.678500 CC(NCc1cccc2c1cc[nH]2)C3CCC3 269862a_100011912549_100000760154 [0,1,0,0,0,1|2,0,0]=4 2806 B19R3.678500 CC(NCc1cccc2c1ccs2)C3CCC3 207a_100016994624_100009860987 [0,1,0,0,0,1|2,0,0]=4 2807 B19R3.678500 CC(NCc1cccc2c1ccs2)C3CCC3 270004a_100016994624_100009860987 [0,1,0,0,0,1|2,0,0]=4 2808 B19R3.678500 CC(NCc1cccc2c1ncs2)C3CCC3 2230a_100016994624_100010883896 [0,1,0,0,0,1|2,0,0]=4 2809 B19R3.678500 CC(NCc1cccc2c1ncs2)C3CCC3 34a_100016994624_100010883896 [0,1,0,0,0,1|2,0,0]=4 2810 B19R3.678500 CC(NCc1cccc2c1occ2)C3CCC3 207a_100016994624_100000050329 [0,1,0,0,0,1|0,1,0]=3 2811 B19R3.678500 CC(NCc1cccc2c1occ2)C3CCC3 270004a_100016994624_100000050329 [0,1,0,0,0,1|0,1,0]=3 2812 B19R3.678500 CC(NCc1cccc2c1scc2)C3CCC3 207a_100016994624_100011934923 [0,1,0,0,0,1|0,0,0]=2 2813 B19R3.678500 CC(NCc1cccc2c1scc2)C3CCC3 2230a_100016994624_100009816938 [0,1,0,0,0,1|0,0,0]=2 2814 B19R3.678500 CC(NCc1cccc2c1scc2)C3CCC3 270004a_100016994624_100011934923 [0,1,0,0,0,1|0,0,0]=2 2815 B19R3.678500 CC(NCc1cccc2c1scc2)C3CCC3 34a_100016994624_100009816938 [0,1,0,0,0,1|0,0,0]=2 2816 B19R3.678500 CC(NCc1cccc2n1ncc2)C3CCC3 207a_100016994624_100000047034 [0,1,0,0,0,1|2,0,0]=4 2817 B19R3.678500 CC(NCc1cccc2n1ncc2)C3CCC3 270004a_100016994624_100000047034 [0,1,0,0,0,1|2,0,0]=4 2818 B19R3.678500 CC(NCc1cccn2c1ncc2)C3CCC3 207a_100016994624_100000084367 [0,1,0,0,0,1|2,0,0]=4 2819 B19R3.678500 CC(NCc1cccn2c1ncc2)C3CCC3 270004a_100016994624_100000084367 [0,1,0,0,0,1|2,0,0]=4 2820 B19R3.678500 CC(OCc1cccc2c1scc2)C3CCC3 34a_100000766398_100009816938 [0,1,0,0,0,1|1,0,0]=3 2821 B19R3.678500 CC(OCc1cccc2c1scc2)C3CCC3 7a_100000766398_100009816938 [0,1,0,0,0,1|1,0,0]=3 2822 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2[nH]cc3 207a_100000706607_100000750900 [0,1,0,0,0,1|1,0,0]=3 2823 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2[nH]cc3 270004a_100000706607_100000750900 [0,1,0,0,0,1|1,0,0]=3 2824 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2[nH]cn3 207a_100000706607_100000100021 [0,1,0,0,0,1|2,0,0]=4 2825 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2[nH]cn3 270004a_100000706607_100000100021 [0,1,0,0,0,1|2,0,0]=4 2826 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2[nH]nc3 207a_100000706607_100000068382 [0,1,0,0,0,1|2,0,0]=4 2827 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2[nH]nc3 2230a_100000706607_100000099550 [0,1,0,0,0,1|2,0,0]=4 2828 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2[nH]nc3 270004a_100000706607_100000068382 [0,1,0,0,0,1|2,0,0]=4 2829 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2cc[nH]3 207a_100000706607_100000750904 [0,1,0,0,0,1|2,0,0]=4 2830 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2ccs3 207a_100000706607_100009860987 [0,1,0,0,0,1|2,0,0]=4 2831 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2ccs3 270004a_100000706607_100009860987 [0,1,0,0,0,1|2,0,0]=4 2832 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2ncs3 2230a_100000706607_100010883896 [0,1,0,0,0,1|2,0,0]=4 2833 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2occ3 207a_100000706607_100000050329 [0,1,0,0,0,1|0,1,0]=3 2834 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2occ3 270004a_100000706607_100000050329 [0,1,0,0,0,1|0,1,0]=3 2835 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2scc3 207a_100000706607_100011934923 [0,1,0,0,0,1|0,0,0]=2 2836 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2scc3 2230a_100000706607_100009816938 [0,1,0,0,0,1|0,0,0]=2 2837 B19R3.2383301 CC1(CCC1)CNCc2cccc3c2scc3 270004a_100000706607_100011934923 [0,1,0,0,0,1|0,0,0]=2 2838 B19R3.2383301 CC1(CCC1)CNCc2cccc3n2ncc3 207a_100000706607_100000047034 [0,1,0,0,0,1|2,0,0]=4 2839 B19R3.2383301 CC1(CCC1)CNCc2cccc3n2ncc3 270004a_100000706607_100000047034 [0,1,0,0,0,1|2,0,0]=4 2840 B19R3.2383301 CC1(CCC1)CNCc2cccn3c2ncc3 207a_100000706607_100000084367 [0,1,0,0,0,1|2,0,0]=4 2841 B19R3.2383301 CC1(CCC1)CNCc2cccn3c2ncc3 270004a_100000706607_100000084367 [0,1,0,0,0,1|2,0,0]=4 2842 B19R3.2383301 CC1(CCC1)CSCc2cccc3c2scc3 62a_100000726658_100009816938 [0,1,0,0,0,1|1,0,0]=3 2843 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]cc3 207a_100020631278_100000750900 [0,1,0,0,0,1|1,0,0]=3 2844 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]cc3 270004a_100020631278_100000750900 [0,1,0,0,0,1|1,0,0]=3 2845 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]cn3 207a_100020631278_100000100021 [0,1,0,0,0,1|2,0,0]=4 2846 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]cn3 270004a_100020631278_100000100021 [0,1,0,0,0,1|2,0,0]=4 2847 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]nc3 207a_100020631278_100000068382 [0,1,0,0,0,1|2,0,0]=4 2848 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]nc3 2230a_100020631278_100000099550 [0,1,0,0,0,1|2,0,0]=4 2849 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]nc3 269862a_100000099547_100000050806 [0,1,0,0,0,1|2,0,0]=4 2850 B19R3.2383301 CC1(COC1)CNCc2cccc3c2[nH]nc3 270004a_100020631278_100000068382 [0,1,0,0,0,1|2,0,0]=4 2851 B19R3.2383301 CC1(COC1)CNCc2cccc3c2cc[nH]3 207a_100020631278_100000750904 [0,1,0,0,0,1|2,0,0]=4 2852 B19R3.2383301 CC1(COC1)CNCc2cccc3c2cc[nH]3 269862a_100011912549_100000050806 [0,1,0,0,0,1|2,0,0]=4 2853 B19R3.2383301 CC1(COC1)CNCc2cccc3c2ccs3 207a_100020631278_100009860987 [0,1,0,0,0,1|2,0,0]=4 2854 B19R3.2383301 CC1(COC1)CNCc2cccc3c2ccs3 270004a_100020631278_100009860987 [0,1,0,0,0,1|2,0,0]=4 2855 B19R3.2383301 CC1(COC1)CNCc2cccc3c2ncs3 2230a_100020631278_100010883896 [0,1,0,0,0,1|2,0,0]=4 2856 B19R3.2383301 CC1(COC1)CNCc2cccc3c2occ3 207a_100020631278_100000050329 [0,1,0,0,0,1|0,1,0]=3 2857 B19R3.2383301 CC1(COC1)CNCc2cccc3c2occ3 270004a_100020631278_100000050329 [0,1,0,0,0,1|0,1,0]=3 2858 B19R3.2383301 CC1(COC1)CNCc2cccc3c2scc3 207a_100020631278_100011934923 [0,1,0,0,0,1|0,0,0]=2 2859 B19R3.2383301 CC1(COC1)CNCc2cccc3c2scc3 2230a_100020631278_100009816938 [0,1,0,0,0,1|0,0,0]=2 2860 B19R3.2383301 CC1(COC1)CNCc2cccc3c2scc3 270004a_100020631278_100011934923 [0,1,0,0,0,1|0,0,0]=2 2861 B19R3.2383301 CC1(COC1)CNCc2cccc3n2ncc3 207a_100020631278_100000047034 [0,1,0,0,0,1|2,0,0]=4 2862 B19R3.2383301 CC1(COC1)CNCc2cccc3n2ncc3 270004a_100020631278_100000047034 [0,1,0,0,0,1|2,0,0]=4 2863 B19R3.2383301 CC1(COC1)CNCc2cccn3c2ncc3 207a_100020631278_100000084367 [0,1,0,0,0,1|2,0,0]=4 2864 B19R3.2383301 CC1(COC1)CNCc2cccn3c2ncc3 270004a_100020631278_100000084367 [0,1,0,0,0,1|2,0,0]=4 2865 B19R3.2383301 CC1(COC1)CSCc2cccc3c2scc3 62a_100009817586_100009816938 [0,1,0,0,0,1|1,0,0]=3 2866 B19R3.2383301 CC1(CSC1)COCc2cccc3c2scc3 34a_100000732658_100009816938 [0,1,0,0,0,1|1,0,0]=3 2867 B19R3.2383301 CC1(CSC1)COCc2cccc3c2scc3 7a_100000732658_100009816938 [0,1,0,0,0,1|1,0,0]=3 2868 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2[nH]cc3 207a_100000752638_100000750900 [0,1,0,0,0,1|1,0,0]=3 2869 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2[nH]cc3 270004a_100000752638_100000750900 [0,1,0,0,0,1|1,0,0]=3 2870 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2[nH]cn3 207a_100000752638_100000100021 [0,1,0,0,0,1|2,0,0]=4 2871 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2[nH]cn3 270004a_100000752638_100000100021 [0,1,0,0,0,1|2,0,0]=4 2872 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2[nH]nc3 207a_100000752638_100000068382 [0,1,0,0,0,1|2,0,0]=4 2873 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2[nH]nc3 2230a_100000752638_100000099550 [0,1,0,0,0,1|2,0,0]=4 2874 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2[nH]nc3 270004a_100000752638_100000068382 [0,1,0,0,0,1|2,0,0]=4 2875 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2cc[nH]3 207a_100000752638_100000750904 [0,1,0,0,0,1|2,0,0]=4 2876 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2ccs3 207a_100000752638_100009860987 [0,1,0,0,0,1|2,0,0]=4 2877 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2ccs3 270004a_100000752638_100009860987 [0,1,0,0,0,1|2,0,0]=4 2878 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2ncs3 2230a_100000752638_100010883896 [0,1,0,0,0,1|2,0,0]=4 2879 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2occ3 207a_100000752638_100000050329 [0,1,0,0,0,1|0,1,0]=3 2880 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2occ3 270004a_100000752638_100000050329 [0,1,0,0,0,1|0,1,0]=3 2881 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2scc3 207a_100000752638_100011934923 [0,1,0,0,0,1|0,0,0]=2 2882 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2scc3 2230a_100000752638_100009816938 [0,1,0,0,0,1|0,0,0]=2 2883 B19R3.2383301 OC1(CCC1)CNCc2cccc3c2scc3 270004a_100000752638_100011934923 [0,1,0,0,0,1|0,0,0]=2 2884 B19R3.2383301 OC1(CCC1)CNCc2cccc3n2ncc3 207a_100000752638_100000047034 [0,1,0,0,0,1|2,0,0]=4 2885 B19R3.2383301 OC1(CCC1)CNCc2cccc3n2ncc3 270004a_100000752638_100000047034 [0,1,0,0,0,1|2,0,0]=4 2886 B19R3.2383301 OC1(CCC1)CNCc2cccn3c2ncc3 207a_100000752638_100000084367 [0,1,0,0,0,1|2,0,0]=4 2887 B19R3.2383301 OC1(CCC1)CNCc2cccn3c2ncc3 270004a_100000752638_100000084367 [0,1,0,0,0,1|2,0,0]=4 2888 B19R3.2383301 OC1(COC1)CNCc2cccc3c2[nH]cc3 207a_100010264505_100000750900 [0,1,0,0,0,1|1,0,0]=3 2889 B19R3.2383301 OC1(COC1)CNCc2cccc3c2[nH]cc3 270004a_100010264505_100000750900 [0,1,0,0,0,1|1,0,0]=3 2890 B19R3.2383301 OC1(COC1)CNCc2cccc3c2[nH]cn3 207a_100010264505_100000100021 [0,1,0,0,0,1|2,0,0]=4 2891 B19R3.2383301 OC1(COC1)CNCc2cccc3c2[nH]cn3 270004a_100010264505_100000100021 [0,1,0,0,0,1|2,0,0]=4 2892 B19R3.2383301 OC1(COC1)CNCc2cccc3c2[nH]nc3 207a_100010264505_100000068382 [0,1,0,0,0,1|2,0,0]=4 2893 B19R3.2383301 OC1(COC1)CNCc2cccc3c2[nH]nc3 2230a_100010264505_100000099550 [0,1,0,0,0,1|2,0,0]=4 2894 B19R3.2383301 OC1(COC1)CNCc2cccc3c2[nH]nc3 270004a_100010264505_100000068382 [0,1,0,0,0,1|2,0,0]=4 2895 B19R3.2383301 OC1(COC1)CNCc2cccc3c2cc[nH]3 207a_100010264505_100000750904 [0,1,0,0,0,1|2,0,0]=4 2896 B19R3.2383301 OC1(COC1)CNCc2cccc3c2ccs3 207a_100010264505_100009860987 [0,1,0,0,0,1|2,0,0]=4 2897 B19R3.2383301 OC1(COC1)CNCc2cccc3c2ccs3 270004a_100010264505_100009860987 [0,1,0,0,0,1|2,0,0]=4 2898 B19R3.2383301 OC1(COC1)CNCc2cccc3c2ncs3 2230a_100010264505_100010883896 [0,1,0,0,0,1|2,0,0]=4 2899 B19R3.2383301 OC1(COC1)CNCc2cccc3c2occ3 207a_100010264505_100000050329 [0,1,0,0,0,1|0,1,0]=3 2900 B19R3.2383301 OC1(COC1)CNCc2cccc3c2occ3 270004a_100010264505_100000050329 [0,1,0,0,0,1|0,1,0]=3 2901 B19R3.2383301 OC1(COC1)CNCc2cccc3c2scc3 207a_100010264505_100011934923 [0,1,0,0,0,1|0,0,0]=2 2902 B19R3.2383301 OC1(COC1)CNCc2cccc3c2scc3 2230a_100010264505_100009816938 [0,1,0,0,0,1|0,0,0]=2 2903 B19R3.2383301 OC1(COC1)CNCc2cccc3c2scc3 270004a_100010264505_100011934923 [0,1,0,0,0,1|0,0,0]=2 2904 B19R3.2383301 OC1(COC1)CNCc2cccc3n2ncc3 207a_100010264505_100000047034 [0,1,0,0,0,1|2,0,0]=4 2905 B19R3.2383301 OC1(COC1)CNCc2cccc3n2ncc3 270004a_100010264505_100000047034 [0,1,0,0,0,1|2,0,0]=4 2906 B19R3.2383301 OC1(COC1)CNCc2cccn3c2ncc3 207a_100010264505_100000084367 [0,1,0,0,0,1|2,0,0]=4 2907 B19R3.2383301 OC1(COC1)CNCc2cccn3c2ncc3 270004a_100010264505_100000084367 [0,1,0,0,0,1|2,0,0]=4 2908 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3CCC3 207a_100000738700_100012002307 [0,1,0,0,0,1|1,0,0]=3 2909 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3CCC3 269862a_100011935268_100000753134 [0,1,0,0,0,1|1,0,0]=3 2910 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3CCC3 270004a_100000738700_100012002307 [0,1,0,0,0,1|1,0,0]=3 2911 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3CCC3 34a_100011935268_100000763275 [0,1,0,0,0,1|1,0,0]=3 2912 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3CCO3 34a_100011935268_100000103362 [0,1,0,0,0,1|1,0,0]=3 2913 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3COC3 207a_100015281925_100012002307 [0,1,0,0,0,1|1,0,0]=3 2914 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3COC3 270004a_100015281925_100012002307 [0,1,0,0,0,1|1,0,0]=3 2915 B19R3.7684174 Cn1ccc2c1c(ccc2)CNCC3COC3 34a_100011935268_100010264016 [0,1,0,0,0,1|1,0,0]=3 2916 B19R3.7684174 Cn1ccc2c1c(ccc2)CNC[C@@H]3CCO3 207a_100020831831_100012002307 [0,1,0,0,0,1|1,0,0]=3 2917 B19R3.7684174 Cn1ccc2c1c(ccc2)CNC[C@@H]3CCO3 270004a_100020831831_100012002307 [0,1,0,0,0,1|1,0,0]=3 2918 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3CCC3 207a_100000738700_100000102508 [0,1,0,0,0,1|2,0,0]=4 2919 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3CCC3 269862a_102516457515_100000753134 [0,1,0,0,0,1|2,0,0]=4 2920 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3CCC3 270004a_100000738700_100000102508 [0,1,0,0,0,1|2,0,0]=4 2921 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3CCC3 34a_102516457515_100000763275 [0,1,0,0,0,1|2,0,0]=4 2922 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3CCO3 34a_102516457515_100000103362 [0,1,0,0,0,1|2,0,0]=4 2923 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3COC3 207a_100015281925_100000102508 [0,1,0,0,0,1|2,0,0]=4 2924 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3COC3 270004a_100015281925_100000102508 [0,1,0,0,0,1|2,0,0]=4 2925 B19R3.7684174 Cn1ncc2c1c(ccc2)CNCC3COC3 34a_102516457515_100010264016 [0,1,0,0,0,1|2,0,0]=4 2926 B19R3.7684174 Cn1ncc2c1c(ccc2)CNC[C@@H]3CCO3 207a_100020831831_100000102508 [0,1,0,0,0,1|2,0,0]=4 2927 B19R3.7684174 Cn1ncc2c1c(ccc2)CNC[C@@H]3CCO3 270004a_100020831831_100000102508 [0,1,0,0,0,1|2,0,0]=4 2928 B19R3.2310 Cn1ccc2c1cccc2CNCCC3CC3 270004a_100000764129_100011934855 [0,1,0,0,0,1|2,0,0]=4 2929 B19R3.2310 Cn1ccc2c1cccc2CNCCC3CC3 34a_100011934857_100000694398 [0,1,0,0,0,1|2,0,0]=4 2930 B19R3.89778 Fc1ccc2occc2c1CNCCC3CC3 207a_100000764129_100009823865 [0,1,0,0,0,1|2,0,0]=4 2931 B19R3.89778 Fc1ccc2occc2c1CNCCC3CC3 270004a_100000764129_100009823865 [0,1,0,0,0,1|2,0,0]=4 2932 B19R3.181434 Nc1cc2cccc(c2s1)SCC#CC3CC3 62a_100010090802_100009895102 [0,1,0,0,0,1|1,0,1]=4 2933 B19R3.181434 Nc1cc2cccc(c2s1)SCCCC3CO3 62a_100010090802_100000733510 [0,1,0,0,0,1|2,0,0]=4 2934 B19R3.202265 CN(CCC1CC1)Cc2cccc3c2cc[nH]3 2230a_100000719444_100000694398 [0,1,0,0,0,1|2,0,0]=4 2935 B19R3.202265 CN(CCC1CC1)Cc2cccc3c2cc[nH]3 269982a_100000719444_100000694398 [0,1,0,0,0,1|2,0,0]=4 2936 B19R3.202265 O=C(C=CC1CC1)Cc2cccc3c2scc3 1458a_100102529529_100009816938 [0,1,0,0,0,1|1,0,1]=4 2937 B19R3.202265 O=C(CCC1CC1)Cc2cccc3c2scc3 1458a_100000756386_100009816938 [0,1,0,0,0,1|1,0,0]=3 2938 B19R3.202265 O=C(Cc1cccc2c1cc[nH]2)NCC3CC3 11a_100000735609_100000094506 [0,1,0,0,0,1|2,0,0]=4 2939 B19R3.202265 O=C(Cc1cccc2c1cc[nH]2)NCC3CC3 527a_100000735609_100000094506 [0,1,0,0,0,1|2,0,0]=4 2940 B19R3.202265 O=C(Cc1cccc2c1cco2)NCC3CC3 11a_100000735609_100000077588 [0,1,0,0,0,1|2,0,0]=4 2941 B19R3.202265 O=C(Cc1cccc2c1cco2)NCC3CC3 1626a_100000735609_100000077588 [0,1,0,0,0,1|2,0,0]=4 2942 B19R3.202265 O=C(Cc1cccc2c1cco2)NCC3CC3 240690a_100000735609_100000077588 [0,1,0,0,0,1|2,0,0]=4 2943 B19R3.202265 O=C(Cc1cccc2c1cco2)NCC3CC3 527a_100000735609_100000077588 [0,1,0,0,0,1|2,0,0]=4 2944 B19R3.202265 O=C(NCC1CC1)Nc2cccc3c2[nH]cc3 2430a_100000685717_100000735609 [0,1,0,0,0,1|1,0,1]=4 2945 B19R3.202265 O=C(NCC1CC1)Nc2cccc3c2scn3 2430a_100000099145_100000735609 [0,1,0,0,0,1|1,0,1]=4 2946 B19R3.202265 O=C(NCC1CC1)Nc2cccc3c2scn3 512a_100000099145_100000735609 [0,1,0,0,0,1|1,0,1]=4 2947 B19R3.678501 CC(CC1CC1)NCc2cccc3c2[nH]nc3 270004a_100000099547_200000686933 [0,1,0,0,0,1|2,0,0]=4 2948 B19R3.678501 CC(CC1CC1)NCc2cccc3c2cc[nH]3 270004a_100011912549_200000686933 [0,1,0,0,0,1|2,0,0]=4 2949 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2[nH]nc3 240690a_100000099547_100000738066 [0,1,0,0,0,1|2,0,0]=4 2950 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2[nH]nc3 527a_100000099547_100000738066 [0,1,0,0,0,1|2,0,0]=4 2951 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2cc[nH]3 11a_100011912549_100000738066 [0,1,0,0,0,1|2,0,0]=4 2952 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2cc[nH]3 240690a_100011912549_100000738066 [0,1,0,0,0,1|2,0,0]=4 2953 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2cc[nH]3 527a_100011912549_100000738066 [0,1,0,0,0,1|2,0,0]=4 2954 B19R3.678501 O=C(CSc1cccc2c1scc2)NC3CC3 62a_100000182950_100000766737 [0,1,0,0,0,1|2,0,0]=4 2955 B19R3.678599 CC(NCCC1CC1)c2cccc3c2[nH]nc3 269862a_100000764129_100009882832 [0,1,0,0,0,1|2,0,0]=4 2956 B19R3.678599 O=C(CC#CC1CC1)c2cccc3c2scc3 1458a_100000766736_100009895102 [0,1,0,0,0,1|1,0,1]=4 2957 B19R3.678599 O=C(CCCC1CO1)c2cccc3c2scc3 1458a_100000766736_100000733510 [0,1,0,0,0,1|2,0,0]=4 2958 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2[nH]cc3 240690a_100000764129_100000027293 [0,1,0,0,0,1|1,0,1]=4 2959 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2[nH]cc3 527a_100000764129_100000027293 [0,1,0,0,0,1|1,0,1]=4 2960 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2occ3 1626a_100000764129_100000098497 [0,1,0,0,0,1|0,1,1]=4 2961 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2occ3 240690a_100000764129_100000098497 [0,1,0,0,0,1|0,1,1]=4 2962 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2occ3 527a_100000764129_100000098497 [0,1,0,0,0,1|0,1,1]=4 2963 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scc3 1626a_100000764129_100000766736 [0,1,0,0,0,1|0,0,1]=3 2964 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scc3 240690a_100000764129_100000766736 [0,1,0,0,0,1|0,0,1]=3 2965 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scc3 527a_100000764129_100000766736 [0,1,0,0,0,1|0,0,1]=3 2966 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scn3 1626a_100000764129_100009859901 [0,1,0,0,0,1|1,0,1]=4 2967 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scn3 240690a_100000764129_100009859901 [0,1,0,0,0,1|1,0,1]=4 2968 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scn3 527a_100000764129_100009859901 [0,1,0,0,0,1|1,0,1]=4 2969 B19R3.678599 O=C(NNCC1CC1)c2cccc3c2[nH]cc3 22a_100000736359_100000027293 [0,1,0,0,0,1|1,0,1]=4 2970 B19R3.678599 O=C(NNCC1CC1)c2cccc3c2occ3 22a_100000736359_100000098497 [0,1,0,0,0,1|0,1,1]=4 2971 B19R3.678599 O=C(NNCC1CC1)c2cccc3c2scc3 22a_100000736359_100000766736 [0,1,0,0,0,1|0,0,1]=3 2972 B19R3.678599 O=C(NNCC1CC1)c2cccc3c2scn3 22a_100000736359_100009859901 [0,1,0,0,0,1|1,0,1]=4 2973 B19R3.679145 N[C@@H](COCc1cccc2c1scc2)C3CC3 34a_100020623730_100009816938 [0,1,0,0,0,1|1,0,0]=3 2974 B19R3.679145 O=C(COCc1cccc2c1scc2)C3CC3 34a_100000686663_100009816938 [0,1,0,0,0,1|1,0,0]=3 2975 B19R3.679145 O=C(CSCc1cccc2c1scc2)C3CC3 62a_100000746382_100009816938 [0,1,0,0,0,1|1,0,0]=3 2976 B19R3.679145 O=C(NN=Cc1cccc2c1scc2)C3CC3 4a_100000183419_100011934923 [0,1,0,0,0,1|0,0,2]=4 2977 B19R3.679145 O=C(OCSc1cccc2c1scc2)C3CC3 62a_100000140896_100000766737 [0,1,0,0,0,1|1,0,1]=4 2978 B19R3.679145 OC(CNCc1cccc2c1[nH]cc2)C3CC3 207a_100000751198_100000750900 [0,1,0,0,0,1|1,0,0]=3 2979 B19R3.679145 OC(CNCc1cccc2c1[nH]cc2)C3CC3 270004a_100000751198_100000750900 [0,1,0,0,0,1|1,0,0]=3 2980 B19R3.679145 OC(CNCc1cccc2c1[nH]cn2)C3CC3 207a_100000751198_100000100021 [0,1,0,0,0,1|2,0,0]=4 2981 B19R3.679145 OC(CNCc1cccc2c1[nH]cn2)C3CC3 270004a_100000751198_100000100021 [0,1,0,0,0,1|2,0,0]=4 2982 B19R3.679145 OC(CNCc1cccc2c1[nH]nc2)C3CC3 207a_100000751198_100000068382 [0,1,0,0,0,1|2,0,0]=4 2983 B19R3.679145 OC(CNCc1cccc2c1[nH]nc2)C3CC3 2230a_100000751198_100000099550 [0,1,0,0,0,1|2,0,0]=4 2984 B19R3.679145 OC(CNCc1cccc2c1[nH]nc2)C3CC3 270004a_100000751198_100000068382 [0,1,0,0,0,1|2,0,0]=4 2985 B19R3.679145 OC(CNCc1cccc2c1[nH]nc2)C3CC3 34a_100000751198_100000099550 [0,1,0,0,0,1|2,0,0]=4 2986 B19R3.679145 OC(CNCc1cccc2c1cc[nH]2)C3CC3 207a_100000751198_100000750904 [0,1,0,0,0,1|2,0,0]=4 2987 B19R3.679145 OC(CNCc1cccc2c1ccs2)C3CC3 207a_100000751198_100009860987 [0,1,0,0,0,1|2,0,0]=4 2988 B19R3.679145 OC(CNCc1cccc2c1ccs2)C3CC3 270004a_100000751198_100009860987 [0,1,0,0,0,1|2,0,0]=4 2989 B19R3.679145 OC(CNCc1cccc2c1ncs2)C3CC3 2230a_100000751198_100010883896 [0,1,0,0,0,1|2,0,0]=4 2990 B19R3.679145 OC(CNCc1cccc2c1ncs2)C3CC3 34a_100000751198_100010883896 [0,1,0,0,0,1|2,0,0]=4 2991 B19R3.679145 OC(CNCc1cccc2c1occ2)C3CC3 207a_100000751198_100000050329 [0,1,0,0,0,1|0,1,0]=3 2992 B19R3.679145 OC(CNCc1cccc2c1occ2)C3CC3 270004a_100000751198_100000050329 [0,1,0,0,0,1|0,1,0]=3 2993 B19R3.679145 OC(CNCc1cccc2c1scc2)C3CC3 207a_100000751198_100011934923 [0,1,0,0,0,1|0,0,0]=2 2994 B19R3.679145 OC(CNCc1cccc2c1scc2)C3CC3 2230a_100000751198_100009816938 [0,1,0,0,0,1|0,0,0]=2 2995 B19R3.679145 OC(CNCc1cccc2c1scc2)C3CC3 270004a_100000751198_100011934923 [0,1,0,0,0,1|0,0,0]=2 2996 B19R3.679145 OC(CNCc1cccc2c1scc2)C3CC3 34a_100000751198_100009816938 [0,1,0,0,0,1|0,0,0]=2 2997 B19R3.679145 OC(CNCc1cccc2n1ncc2)C3CC3 207a_100000751198_100000047034 [0,1,0,0,0,1|2,0,0]=4 2998 B19R3.679145 OC(CNCc1cccc2n1ncc2)C3CC3 270004a_100000751198_100000047034 [0,1,0,0,0,1|2,0,0]=4 2999 B19R3.679145 OC(CNCc1cccn2c1ncc2)C3CC3 207a_100000751198_100000084367 [0,1,0,0,0,1|2,0,0]=4 3000 B19R3.679145 OC(CNCc1cccn2c1ncc2)C3CC3 270004a_100000751198_100000084367 [0,1,0,0,0,1|2,0,0]=4 3001 B19R3.7684180 Cn1ccc2c1c(ccc2)C=NNCC3CC3 4a_100000736359_100012002307 [0,1,0,0,0,1|1,0,1]=4 3002 B19R3.7684180 Cn1ccc2c1c(ccc2)CNCCC3CC3 207a_100000764129_100012002307 [0,1,0,0,0,1|1,0,0]=3 3003 B19R3.7684180 Cn1ccc2c1c(ccc2)CNCCC3CC3 270004a_100000764129_100012002307 [0,1,0,0,0,1|1,0,0]=3 3004 B19R3.7684180 Cn1ccc2c1c(ccc2)CNCCC3CC3 34a_100011935268_100000694398 [0,1,0,0,0,1|1,0,0]=3 3005 B19R3.7684180 Cn1ccc2c1c(ccc2)CNCCC3CO3 34a_100011935268_100000732470 [0,1,0,0,0,1|2,0,0]=4 3006 B19R3.7684180 Cn1ncc2c1c(ccc2)CNCCC3CC3 207a_100000764129_100000102508 [0,1,0,0,0,1|2,0,0]=4 3007 B19R3.7684180 Cn1ncc2c1c(ccc2)CNCCC3CC3 270004a_100000764129_100000102508 [0,1,0,0,0,1|2,0,0]=4 3008 B19R3.7684180 Cn1ncc2c1c(ccc2)CNCCC3CC3 34a_102516457515_100000694398 [0,1,0,0,0,1|2,0,0]=4 3009 B19R3.2307 O=C(NCC1CC1)c2cccc3c2[nH]cc3I 11a_100000735609_200010718420 [0,2,0,0,0,0|1,0,1]=4 3010 B19R3.2307 O=C(NCC1CC1)c2cccc3c2[nH]cc3I 1626a_100000735609_200010718420 [0,2,0,0,0,0|1,0,1]=4 3011 B19R3.2307 O=C(NCC1CC1)c2cccc3c2[nH]cc3I 240690a_100000735609_200010718420 [0,2,0,0,0,0|1,0,1]=4 3012 B19R3.2307 O=C(NCC1CC1)c2cccc3c2[nH]cc3I 527a_100000735609_200010718420 [0,2,0,0,0,0|1,0,1]=4 3013 B19R3.2336 CN(Cc1cccc2c1[nH]nc2Br)CC3CC3 26a_100000741881_200010988877 [0,2,0,0,0,0|2,0,0]=4 3014 B19R3.2336 CN(Cc1cccc2c1ccn2C)CC3CC3 270004a_100000741881_100011934855 [0,2,0,0,0,0|2,0,0]=4 3015 B19R3.2340 CC(NCc1cccc2c1ccn2C)C3CC3 269862a_100011934857_100000210639 [0,2,0,0,0,0|2,0,0]=4 3016 B19R3.2340 CC(NCc1cccc2c1ccn2C)C3CC3 270004a_100000700016_100011934855 [0,2,0,0,0,0|2,0,0]=4 3017 B19R3.88736 CC1(CC1)CNCc2cccc3c2[nH]nc3Br 26a_100000766693_200010988877 [0,2,0,0,0,0|2,0,0]=4 3018 B19R3.88736 Cn1ccc2c1cccc2CNCC3(CC3)C 270004a_100000766693_100011934855 [0,2,0,0,0,0|2,0,0]=4 3019 B19R3.88736 Cn1ccc2c1cccc2CNCC3(CC3)O 270004a_100011936951_100011934855 [0,2,0,0,0,0|2,0,0]=4 3020 B19R3.2384353 CC1(CC1COCc2cccc3c2scc3)C 34a_100000728257_100009816938 [0,2,0,0,0,0|1,0,0]=3 3021 B19R3.2384353 CC1(CC1COCc2cccc3c2scc3)C 7a_100000728257_100009816938 [0,2,0,0,0,0|1,0,0]=3 3022 B19R3.2384353 CC1(OC1COCc2cccc3c2scc3)C 34a_200010283642_100009816938 [0,2,0,0,0,0|2,0,0]=4 3023 B19R3.2384353 CC1(OC1COCc2cccc3c2scc3)C 7a_200010283642_100009816938 [0,2,0,0,0,0|2,0,0]=4 3024 B19R3.2384353 FC1(CC1COCc2cccc3c2scc3)F 34a_100000056500_100009816938 [0,2,0,0,0,0|1,0,0]=3 3025 B19R3.2384353 FC1(CC1COCc2cccc3c2scc3)F 7a_100000056500_100009816938 [0,2,0,0,0,0|1,0,0]=3 3026 B19R3.2384353 FC1(CC1CSCc2cccc3c2scc3)F 62a_100009817841_100009816938 [0,2,0,0,0,0|1,0,0]=3 3027 B19R3.2151385 CN(Cc1c(ccc2c1cco2)F)CC3CC3 270004a_100000741881_100009823865 [0,2,0,0,0,0|2,0,0]=4 3028 B19R3.2459607 CC(NCc1c(ccc2c1cco2)F)C3CC3 207a_100000700016_100009823865 [0,2,0,0,0,0|2,0,0]=4 3029 B19R3.2459607 CC(NCc1c(ccc2c1cco2)F)C3CC3 270004a_100000700016_100009823865 [0,2,0,0,0,0|2,0,0]=4 3030 B19R3.2459614 CC1(CC1)CNCc2c(ccc3c2cco3)F 207a_100000766693_100009823865 [0,2,0,0,0,0|2,0,0]=4 3031 B19R3.2459614 CC1(CC1)CNCc2c(ccc3c2cco3)F 270004a_100000766693_100009823865 [0,2,0,0,0,0|2,0,0]=4 3032 B19R3.2459614 OC1(CC1)CNCc2c(ccc3c2cco3)F 207a_100011936951_100009823865 [0,2,0,0,0,0|2,0,0]=4 3033 B19R3.2459614 OC1(CC1)CNCc2c(ccc3c2cco3)F 270004a_100011936951_100009823865 [0,2,0,0,0,0|2,0,0]=4 3034 B19R3.156733 O=C(NCC1CC1)c2cc(cc3c2[nH]cc3)Br 11a_100000735609_100102524939 [0,2,0,0,0,0|1,0,1]=4 3035 B19R3.156733 O=C(NCC1CC1)c2cc(cc3c2[nH]cc3)Br 240690a_100000735609_100102524939 [0,2,0,0,0,0|1,0,1]=4 3036 B19R3.156733 O=C(NCC1CC1)c2cc(cc3c2[nH]cc3)Br 527a_100000735609_100102524939 [0,2,0,0,0,0|1,0,1]=4 3037 B19R3.181407 O=C(NCC1CC1)c2cccc3c2sc(n3)Cl 11a_100000735609_100010175462 [0,2,0,0,0,0|1,0,1]=4 3038 B19R3.181407 O=C(NCC1CC1)c2cccc3c2sc(n3)Cl 1626a_100000735609_100010175462 [0,2,0,0,0,0|1,0,1]=4 3039 B19R3.300726 OCc1cc2cccc(c2s1)SCCC3CC3 62a_100000764125_100010255382 [0,2,0,0,0,0|2,0,0]=4 3040 B19R3.300726 OCc1cc2cccc(c2s1)SCCC3CC3 62a_100010255382_100000764125 [0,2,0,0,0,0|2,0,0]=4 3041 B19R3.425119 CN(Cc1ccc(c2c1occ2)Br)CC3CC3 26a_100000741881_200020711608 [0,2,0,0,0,0|0,1,0]=3 3042 B19R3.7684171 CN(Cc1cccc2c1n(cc2)C)CC3CC3 270004a_100000741881_100012002307 [0,2,0,0,0,0|1,0,0]=3 3043 B19R3.7684171 CN(Cc1cccc2c1n(nc2)C)CC3CC3 270004a_100000741881_100000102508 [0,2,0,0,0,0|2,0,0]=4 3044 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2[nH]cc3 11a_100000741881_100000027293 [0,2,0,0,0,0|1,0,1]=4 3045 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2[nH]cc3 240690a_100000741881_100000027293 [0,2,0,0,0,0|1,0,1]=4 3046 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2[nH]cc3 527a_100000741881_100000027293 [0,2,0,0,0,0|1,0,1]=4 3047 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2occ3 11a_100000741881_100000098497 [0,2,0,0,0,0|0,1,1]=4 3048 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2occ3 1626a_100000741881_100000098497 [0,2,0,0,0,0|0,1,1]=4 3049 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2occ3 240690a_100000741881_100000098497 [0,2,0,0,0,0|0,1,1]=4 3050 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2occ3 527a_100000741881_100000098497 [0,2,0,0,0,0|0,1,1]=4 3051 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scc3 11a_100000741881_100000766736 [0,2,0,0,0,0|0,0,1]=3 3052 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scc3 1626a_100000741881_100000766736 [0,2,0,0,0,0|0,0,1]=3 3053 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scc3 240690a_100000741881_100000766736 [0,2,0,0,0,0|0,0,1]=3 3054 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scc3 527a_100000741881_100000766736 [0,2,0,0,0,0|0,0,1]=3 3055 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scn3 11a_100000741881_100009859901 [0,2,0,0,0,0|1,0,1]=4 3056 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scn3 1626a_100000741881_100009859901 [0,2,0,0,0,0|1,0,1]=4 3057 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scn3 240690a_100000741881_100009859901 [0,2,0,0,0,0|1,0,1]=4 3058 B19R3.10821793 CN(CC1CC1)C(=O)c2cccc3c2scn3 527a_100000741881_100009859901 [0,2,0,0,0,0|1,0,1]=4 3059 B19R3.10835745 CC1(CC1)CC(=O)Cc2cccc3c2scc3 1458a_100000112800_100009816938 [0,2,0,0,0,0|1,0,0]=3 3060 B19R3.1880766 CCC1(CO1)CSCc2cccc3c2scc3 62a_200000139556_100009816938 [0,2,0,0,0,0|2,0,0]=4 3061 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2[nH]cc3 207a_100000725504_100000750900 [0,2,0,0,0,0|1,0,0]=3 3062 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2[nH]cc3 270004a_100000725504_100000750900 [0,2,0,0,0,0|1,0,0]=3 3063 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2[nH]cn3 207a_100000725504_100000100021 [0,2,0,0,0,0|2,0,0]=4 3064 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2[nH]cn3 270004a_100000725504_100000100021 [0,2,0,0,0,0|2,0,0]=4 3065 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2[nH]nc3 207a_100000725504_100000068382 [0,2,0,0,0,0|2,0,0]=4 3066 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2[nH]nc3 2230a_100000725504_100000099550 [0,2,0,0,0,0|2,0,0]=4 3067 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2[nH]nc3 270004a_100000725504_100000068382 [0,2,0,0,0,0|2,0,0]=4 3068 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2cc[nH]3 207a_100000725504_100000750904 [0,2,0,0,0,0|2,0,0]=4 3069 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2ccs3 207a_100000725504_100009860987 [0,2,0,0,0,0|2,0,0]=4 3070 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2ccs3 270004a_100000725504_100009860987 [0,2,0,0,0,0|2,0,0]=4 3071 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2ncs3 2230a_100000725504_100010883896 [0,2,0,0,0,0|2,0,0]=4 3072 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2occ3 207a_100000725504_100000050329 [0,2,0,0,0,0|0,1,0]=3 3073 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2occ3 270004a_100000725504_100000050329 [0,2,0,0,0,0|0,1,0]=3 3074 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2scc3 207a_100000725504_100011934923 [0,2,0,0,0,0|0,0,0]=2 3075 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2scc3 2230a_100000725504_100009816938 [0,2,0,0,0,0|0,0,0]=2 3076 B19R3.1880766 N#CC1(CC1)CNCc2cccc3c2scc3 270004a_100000725504_100011934923 [0,2,0,0,0,0|0,0,0]=2 3077 B19R3.1880766 N#CC1(CC1)CNCc2cccc3n2ncc3 207a_100000725504_100000047034 [0,2,0,0,0,0|2,0,0]=4 3078 B19R3.1880766 N#CC1(CC1)CNCc2cccc3n2ncc3 270004a_100000725504_100000047034 [0,2,0,0,0,0|2,0,0]=4 3079 B19R3.1880766 N#CC1(CC1)CNCc2cccn3c2ncc3 207a_100000725504_100000084367 [0,2,0,0,0,0|2,0,0]=4 3080 B19R3.1880766 N#CC1(CC1)CNCc2cccn3c2ncc3 270004a_100000725504_100000084367 [0,2,0,0,0,0|2,0,0]=4 3081 B19R3.1880766 N#CC1(CC1)COCc2cccc3c2scc3 34a_100000688837_100009816938 [0,2,0,0,0,0|1,0,0]=3 3082 B19R3.1880766 N#CC1(CC1)COCc2cccc3c2scc3 7a_100000688837_100009816938 [0,2,0,0,0,0|1,0,0]=3 3083 B19R3.1880766 N#CC1(CC1)CSCc2cccc3c2scc3 62a_100000695377_100009816938 [0,2,0,0,0,0|1,0,0]=3 3084 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2[nH]cc3 207a_100000757901_100000750900 [0,2,0,0,0,0|1,0,0]=3 3085 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2[nH]cc3 270004a_100000757901_100000750900 [0,2,0,0,0,0|1,0,0]=3 3086 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2[nH]cn3 207a_100000757901_100000100021 [0,2,0,0,0,0|2,0,0]=4 3087 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2[nH]cn3 270004a_100000757901_100000100021 [0,2,0,0,0,0|2,0,0]=4 3088 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2[nH]nc3 207a_100000757901_100000068382 [0,2,0,0,0,0|2,0,0]=4 3089 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2[nH]nc3 2230a_100000757901_100000099550 [0,2,0,0,0,0|2,0,0]=4 3090 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2[nH]nc3 270004a_100000757901_100000068382 [0,2,0,0,0,0|2,0,0]=4 3091 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2cc[nH]3 207a_100000757901_100000750904 [0,2,0,0,0,0|2,0,0]=4 3092 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2ccs3 207a_100000757901_100009860987 [0,2,0,0,0,0|2,0,0]=4 3093 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2ccs3 270004a_100000757901_100009860987 [0,2,0,0,0,0|2,0,0]=4 3094 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2ncs3 2230a_100000757901_100010883896 [0,2,0,0,0,0|2,0,0]=4 3095 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2occ3 207a_100000757901_100000050329 [0,2,0,0,0,0|0,1,0]=3 3096 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2occ3 270004a_100000757901_100000050329 [0,2,0,0,0,0|0,1,0]=3 3097 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2scc3 207a_100000757901_100011934923 [0,2,0,0,0,0|0,0,0]=2 3098 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2scc3 2230a_100000757901_100009816938 [0,2,0,0,0,0|0,0,0]=2 3099 B19R3.1880766 OCC1(CC1)CNCc2cccc3c2scc3 270004a_100000757901_100011934923 [0,2,0,0,0,0|0,0,0]=2 3100 B19R3.1880766 OCC1(CC1)CNCc2cccc3n2ncc3 207a_100000757901_100000047034 [0,2,0,0,0,0|2,0,0]=4 3101 B19R3.1880766 OCC1(CC1)CNCc2cccc3n2ncc3 270004a_100000757901_100000047034 [0,2,0,0,0,0|2,0,0]=4 3102 B19R3.1880766 OCC1(CC1)CNCc2cccn3c2ncc3 207a_100000757901_100000084367 [0,2,0,0,0,0|2,0,0]=4 3103 B19R3.1880766 OCC1(CC1)CNCc2cccn3c2ncc3 270004a_100000757901_100000084367 [0,2,0,0,0,0|2,0,0]=4 3104 B19R3.4094801 CC(NCC1(CC1)C)c2cccc3c2[nH]nc3 269862a_100000766693_100009882832 [0,2,0,0,0,0|2,0,0]=4 3105 B19R3.4094801 CC(NCC1(CC1)O)c2cccc3c2[nH]nc3 269862a_100011936951_100009882832 [0,2,0,0,0,0|2,0,0]=4 3106 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2[nH]cc3 11a_100000766693_100000027293 [0,2,0,0,0,0|1,0,1]=4 3107 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2[nH]cc3 240690a_100000766693_100000027293 [0,2,0,0,0,0|1,0,1]=4 3108 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2[nH]cc3 527a_100000766693_100000027293 [0,2,0,0,0,0|1,0,1]=4 3109 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2occ3 11a_100000766693_100000098497 [0,2,0,0,0,0|0,1,1]=4 3110 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2occ3 1626a_100000766693_100000098497 [0,2,0,0,0,0|0,1,1]=4 3111 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2occ3 240690a_100000766693_100000098497 [0,2,0,0,0,0|0,1,1]=4 3112 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2occ3 527a_100000766693_100000098497 [0,2,0,0,0,0|0,1,1]=4 3113 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scc3 11a_100000766693_100000766736 [0,2,0,0,0,0|0,0,1]=3 3114 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scc3 1626a_100000766693_100000766736 [0,2,0,0,0,0|0,0,1]=3 3115 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scc3 240690a_100000766693_100000766736 [0,2,0,0,0,0|0,0,1]=3 3116 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scc3 527a_100000766693_100000766736 [0,2,0,0,0,0|0,0,1]=3 3117 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scn3 11a_100000766693_100009859901 [0,2,0,0,0,0|1,0,1]=4 3118 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scn3 1626a_100000766693_100009859901 [0,2,0,0,0,0|1,0,1]=4 3119 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scn3 240690a_100000766693_100009859901 [0,2,0,0,0,0|1,0,1]=4 3120 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scn3 527a_100000766693_100009859901 [0,2,0,0,0,0|1,0,1]=4 3121 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2[nH]cc3 11a_100011936951_100000027293 [0,2,0,0,0,0|1,0,1]=4 3122 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2[nH]cc3 240690a_100011936951_100000027293 [0,2,0,0,0,0|1,0,1]=4 3123 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2[nH]cc3 527a_100011936951_100000027293 [0,2,0,0,0,0|1,0,1]=4 3124 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2occ3 11a_100011936951_100000098497 [0,2,0,0,0,0|0,1,1]=4 3125 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2occ3 240690a_100011936951_100000098497 [0,2,0,0,0,0|0,1,1]=4 3126 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2occ3 527a_100011936951_100000098497 [0,2,0,0,0,0|0,1,1]=4 3127 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scc3 11a_100011936951_100000766736 [0,2,0,0,0,0|0,0,1]=3 3128 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scc3 240690a_100011936951_100000766736 [0,2,0,0,0,0|0,0,1]=3 3129 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scc3 527a_100011936951_100000766736 [0,2,0,0,0,0|0,0,1]=3 3130 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scn3 11a_100011936951_100009859901 [0,2,0,0,0,0|1,0,1]=4 3131 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scn3 240690a_100011936951_100009859901 [0,2,0,0,0,0|1,0,1]=4 3132 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scn3 527a_100011936951_100009859901 [0,2,0,0,0,0|1,0,1]=4 3133 B19R3.10030803 CC1(CC1)CNCc2ccc(c3c2occ3)Br 26a_100000766693_200020711608 [0,2,0,0,0,0|0,1,0]=3 3134 B19R3.10827429 CC(NCc1cccc2c1[nH]nc2)C3(CC3)C 269862a_100000099547_100000184723 [0,2,0,0,0,0|2,0,0]=4 3135 B19R3.10827429 CC(NCc1cccc2c1[nH]nc2)C3(CC3)F 269862a_100000099547_100000052362 [0,2,0,0,0,0|2,0,0]=4 3136 B19R3.10827429 CC(NCc1cccc2c1cc[nH]2)C3(CC3)C 269862a_100011912549_100000184723 [0,2,0,0,0,0|2,0,0]=4 3137 B19R3.10827429 CC(NCc1cccc2c1cc[nH]2)C3(CC3)F 269862a_100011912549_100000052362 [0,2,0,0,0,0|2,0,0]=4 3138 B19R3.23114476 Cn1ccc2c1c(ccc2)CNCC3(CC3)C 207a_100000766693_100012002307 [0,2,0,0,0,0|1,0,0]=3 3139 B19R3.23114476 Cn1ccc2c1c(ccc2)CNCC3(CC3)C 270004a_100000766693_100012002307 [0,2,0,0,0,0|1,0,0]=3 3140 B19R3.23114476 Cn1ccc2c1c(ccc2)CNCC3(CC3)O 207a_100011936951_100012002307 [0,2,0,0,0,0|1,0,0]=3 3141 B19R3.23114476 Cn1ccc2c1c(ccc2)CNCC3(CC3)O 270004a_100011936951_100012002307 [0,2,0,0,0,0|1,0,0]=3 3142 B19R3.23114476 Cn1ccc2c1c(ccc2)CNCC3(CO3)C 34a_100011935268_100000760498 [0,2,0,0,0,0|2,0,0]=4 3143 B19R3.23114476 Cn1ncc2c1c(ccc2)CNCC3(CC3)C 207a_100000766693_100000102508 [0,2,0,0,0,0|2,0,0]=4 3144 B19R3.23114476 Cn1ncc2c1c(ccc2)CNCC3(CC3)C 270004a_100000766693_100000102508 [0,2,0,0,0,0|2,0,0]=4 3145 B19R3.23114476 Cn1ncc2c1c(ccc2)CNCC3(CC3)O 207a_100011936951_100000102508 [0,2,0,0,0,0|2,0,0]=4 3146 B19R3.23114476 Cn1ncc2c1c(ccc2)CNCC3(CC3)O 270004a_100011936951_100000102508 [0,2,0,0,0,0|2,0,0]=4 3147 B19R3.425086 O=C(NCC1CC1)c2ccc(c3c2[nH]cc3)Br 11a_100000735609_100010141195 [0,2,0,0,0,0|1,0,1]=4 3148 B19R3.425086 O=C(NCC1CC1)c2ccc(c3c2[nH]cc3)Br 240690a_100000735609_100010141195 [0,2,0,0,0,0|1,0,1]=4 3149 B19R3.425086 O=C(NCC1CC1)c2ccc(c3c2[nH]cc3)Br 527a_100000735609_100010141195 [0,2,0,0,0,0|1,0,1]=4 3150 B19R3.425086 O=C(NCC1CC1)c2ccc(c3c2[nH]cc3)Cl 11a_100000735609_100009924714 [0,2,0,0,0,0|1,0,1]=4 3151 B19R3.425086 O=C(NCC1CC1)c2ccc(c3c2[nH]cc3)Cl 240690a_100000735609_100009924714 [0,2,0,0,0,0|1,0,1]=4 3152 B19R3.425086 O=C(NCC1CC1)c2ccc(c3c2[nH]cc3)Cl 527a_100000735609_100009924714 [0,2,0,0,0,0|1,0,1]=4 3153 B19R3.6535366 CC(NC(=O)c1cccc2c1[nH]cc2)C3CC3 11a_100000700016_100000027293 [0,2,0,0,0,0|1,0,1]=4 3154 B19R3.6535366 CC(NC(=O)c1cccc2c1[nH]cc2)C3CC3 240690a_100000700016_100000027293 [0,2,0,0,0,0|1,0,1]=4 3155 B19R3.6535366 CC(NC(=O)c1cccc2c1[nH]cc2)C3CC3 527a_100000700016_100000027293 [0,2,0,0,0,0|1,0,1]=4 3156 B19R3.6535366 CC(NC(=O)c1cccc2c1occ2)C3CC3 11a_100000700016_100000098497 [0,2,0,0,0,0|0,1,1]=4 3157 B19R3.6535366 CC(NC(=O)c1cccc2c1occ2)C3CC3 1626a_100000700016_100000098497 [0,2,0,0,0,0|0,1,1]=4 3158 B19R3.6535366 CC(NC(=O)c1cccc2c1occ2)C3CC3 240690a_100000700016_100000098497 [0,2,0,0,0,0|0,1,1]=4 3159 B19R3.6535366 CC(NC(=O)c1cccc2c1occ2)C3CC3 527a_100000700016_100000098497 [0,2,0,0,0,0|0,1,1]=4 3160 B19R3.6535366 CC(NC(=O)c1cccc2c1scc2)C3CC3 11a_100000700016_100000766736 [0,2,0,0,0,0|0,0,1]=3 3161 B19R3.6535366 CC(NC(=O)c1cccc2c1scc2)C3CC3 1626a_100000700016_100000766736 [0,2,0,0,0,0|0,0,1]=3 3162 B19R3.6535366 CC(NC(=O)c1cccc2c1scc2)C3CC3 240690a_100000700016_100000766736 [0,2,0,0,0,0|0,0,1]=3 3163 B19R3.6535366 CC(NC(=O)c1cccc2c1scc2)C3CC3 527a_100000700016_100000766736 [0,2,0,0,0,0|0,0,1]=3 3164 B19R3.6535366 CC(NC(=O)c1cccc2c1scn2)C3CC3 11a_100000700016_100009859901 [0,2,0,0,0,0|1,0,1]=4 3165 B19R3.6535366 CC(NC(=O)c1cccc2c1scn2)C3CC3 1626a_100000700016_100009859901 [0,2,0,0,0,0|1,0,1]=4 3166 B19R3.6535366 CC(NC(=O)c1cccc2c1scn2)C3CC3 240690a_100000700016_100009859901 [0,2,0,0,0,0|1,0,1]=4 3167 B19R3.6535366 CC(NC(=O)c1cccc2c1scn2)C3CC3 527a_100000700016_100009859901 [0,2,0,0,0,0|1,0,1]=4 3168 B19R3.6535366 CC(NC(C)C1CC1)c2cccc3c2[nH]nc3 269862a_100000700016_100009882832 [0,2,0,0,0,0|2,0,0]=4 3169 B19R3.7684149 Cn1ccc2c1c(ccc2)C(=O)NCC3CC3 11a_100000735609_100011935264 [0,2,0,0,0,0|1,0,1]=4 3170 B19R3.7684149 Cn1ccc2c1c(ccc2)C(=O)NCC3CC3 1626a_100000735609_100011935264 [0,2,0,0,0,0|1,0,1]=4 3171 B19R3.7684149 Cn1ccc2c1c(ccc2)C(=O)NCC3CC3 240690a_100000735609_100011935264 [0,2,0,0,0,0|1,0,1]=4 3172 B19R3.7684149 Cn1ccc2c1c(ccc2)C(=O)NCC3CC3 527a_100000735609_100011935264 [0,2,0,0,0,0|1,0,1]=4 3173 B19R3.755719 CCC(NCc1cccc2c1[nH]cc2)C3CC3 207a_100025715781_100000750900 [0,2,0,0,0,0|1,0,0]=3 3174 B19R3.755719 CCC(NCc1cccc2c1[nH]cc2)C3CC3 270004a_100025715781_100000750900 [0,2,0,0,0,0|1,0,0]=3 3175 B19R3.755719 CCC(NCc1cccc2c1[nH]cn2)C3CC3 207a_100025715781_100000100021 [0,2,0,0,0,0|2,0,0]=4 3176 B19R3.755719 CCC(NCc1cccc2c1[nH]cn2)C3CC3 270004a_100025715781_100000100021 [0,2,0,0,0,0|2,0,0]=4 3177 B19R3.755719 CCC(NCc1cccc2c1[nH]nc2)C3CC3 207a_100025715781_100000068382 [0,2,0,0,0,0|2,0,0]=4 3178 B19R3.755719 CCC(NCc1cccc2c1[nH]nc2)C3CC3 2230a_100025715781_100000099550 [0,2,0,0,0,0|2,0,0]=4 3179 B19R3.755719 CCC(NCc1cccc2c1[nH]nc2)C3CC3 269862a_100000099547_100000759681 [0,2,0,0,0,0|2,0,0]=4 3180 B19R3.755719 CCC(NCc1cccc2c1[nH]nc2)C3CC3 270004a_100025715781_100000068382 [0,2,0,0,0,0|2,0,0]=4 3181 B19R3.755719 CCC(NCc1cccc2c1[nH]nc2)C3CC3 34a_100025715781_100000099550 [0,2,0,0,0,0|2,0,0]=4 3182 B19R3.755719 CCC(NCc1cccc2c1cc[nH]2)C3CC3 207a_100025715781_100000750904 [0,2,0,0,0,0|2,0,0]=4 3183 B19R3.755719 CCC(NCc1cccc2c1cc[nH]2)C3CC3 269862a_100011912549_100000759681 [0,2,0,0,0,0|2,0,0]=4 3184 B19R3.755719 CCC(NCc1cccc2c1ccs2)C3CC3 207a_100025715781_100009860987 [0,2,0,0,0,0|2,0,0]=4 3185 B19R3.755719 CCC(NCc1cccc2c1ccs2)C3CC3 270004a_100025715781_100009860987 [0,2,0,0,0,0|2,0,0]=4 3186 B19R3.755719 CCC(NCc1cccc2c1ncs2)C3CC3 2230a_100025715781_100010883896 [0,2,0,0,0,0|2,0,0]=4 3187 B19R3.755719 CCC(NCc1cccc2c1ncs2)C3CC3 34a_100025715781_100010883896 [0,2,0,0,0,0|2,0,0]=4 3188 B19R3.755719 CCC(NCc1cccc2c1occ2)C3CC3 207a_100025715781_100000050329 [0,2,0,0,0,0|0,1,0]=3 3189 B19R3.755719 CCC(NCc1cccc2c1occ2)C3CC3 270004a_100025715781_100000050329 [0,2,0,0,0,0|0,1,0]=3 3190 B19R3.755719 CCC(NCc1cccc2c1scc2)C3CC3 207a_100025715781_100011934923 [0,2,0,0,0,0|0,0,0]=2 3191 B19R3.755719 CCC(NCc1cccc2c1scc2)C3CC3 2230a_100025715781_100009816938 [0,2,0,0,0,0|0,0,0]=2 3192 B19R3.755719 CCC(NCc1cccc2c1scc2)C3CC3 270004a_100025715781_100011934923 [0,2,0,0,0,0|0,0,0]=2 3193 B19R3.755719 CCC(NCc1cccc2c1scc2)C3CC3 34a_100025715781_100009816938 [0,2,0,0,0,0|0,0,0]=2 3194 B19R3.755719 CCC(NCc1cccc2n1ncc2)C3CC3 207a_100025715781_100000047034 [0,2,0,0,0,0|2,0,0]=4 3195 B19R3.755719 CCC(NCc1cccc2n1ncc2)C3CC3 270004a_100025715781_100000047034 [0,2,0,0,0,0|2,0,0]=4 3196 B19R3.755719 CCC(NCc1cccn2c1ncc2)C3CC3 207a_100025715781_100000084367 [0,2,0,0,0,0|2,0,0]=4 3197 B19R3.755719 CCC(NCc1cccn2c1ncc2)C3CC3 270004a_100025715781_100000084367 [0,2,0,0,0,0|2,0,0]=4 3198 B19R3.755719 CCC(OCc1cccc2c1scc2)C3CC3 34a_100011351122_100009816938 [0,2,0,0,0,0|1,0,0]=3 3199 B19R3.755719 CCC(OCc1cccc2c1scc2)C3CC3 7a_100011351122_100009816938 [0,2,0,0,0,0|1,0,0]=3 3200 B19R3.755719 NCC(OCc1cccc2c1scc2)C3CC3 34a_100000751198_100009816938 [0,2,0,0,0,0|1,0,0]=3 3201 B19R3.755719 OC[C@H](NCc1cccc2c1[nH]cc2)C3CC3 207a_100020623730_100000750900 [0,2,0,0,0,0|1,0,0]=3 3202 B19R3.755719 OC[C@H](NCc1cccc2c1[nH]cc2)C3CC3 270004a_100020623730_100000750900 [0,2,0,0,0,0|1,0,0]=3 3203 B19R3.755719 OC[C@H](NCc1cccc2c1[nH]cn2)C3CC3 207a_100020623730_100000100021 [0,2,0,0,0,0|2,0,0]=4 3204 B19R3.755719 OC[C@H](NCc1cccc2c1[nH]cn2)C3CC3 270004a_100020623730_100000100021 [0,2,0,0,0,0|2,0,0]=4 3205 B19R3.755719 OC[C@H](NCc1cccc2c1[nH]nc2)C3CC3 207a_100020623730_100000068382 [0,2,0,0,0,0|2,0,0]=4 3206 B19R3.755719 OC[C@H](NCc1cccc2c1[nH]nc2)C3CC3 2230a_100020623730_100000099550 [0,2,0,0,0,0|2,0,0]=4 3207 B19R3.755719 OC[C@H](NCc1cccc2c1[nH]nc2)C3CC3 270004a_100020623730_100000068382 [0,2,0,0,0,0|2,0,0]=4 3208 B19R3.755719 OC[C@H](NCc1cccc2c1[nH]nc2)C3CC3 34a_100020623730_100000099550 [0,2,0,0,0,0|2,0,0]=4 3209 B19R3.755719 OC[C@H](NCc1cccc2c1cc[nH]2)C3CC3 207a_100020623730_100000750904 [0,2,0,0,0,0|2,0,0]=4 3210 B19R3.755719 OC[C@H](NCc1cccc2c1ccs2)C3CC3 207a_100020623730_100009860987 [0,2,0,0,0,0|2,0,0]=4 3211 B19R3.755719 OC[C@H](NCc1cccc2c1ccs2)C3CC3 270004a_100020623730_100009860987 [0,2,0,0,0,0|2,0,0]=4 3212 B19R3.755719 OC[C@H](NCc1cccc2c1ncs2)C3CC3 2230a_100020623730_100010883896 [0,2,0,0,0,0|2,0,0]=4 3213 B19R3.755719 OC[C@H](NCc1cccc2c1ncs2)C3CC3 34a_100020623730_100010883896 [0,2,0,0,0,0|2,0,0]=4 3214 B19R3.755719 OC[C@H](NCc1cccc2c1occ2)C3CC3 207a_100020623730_100000050329 [0,2,0,0,0,0|0,1,0]=3 3215 B19R3.755719 OC[C@H](NCc1cccc2c1occ2)C3CC3 270004a_100020623730_100000050329 [0,2,0,0,0,0|0,1,0]=3 3216 B19R3.755719 OC[C@H](NCc1cccc2c1scc2)C3CC3 207a_100020623730_100011934923 [0,2,0,0,0,0|0,0,0]=2 3217 B19R3.755719 OC[C@H](NCc1cccc2c1scc2)C3CC3 2230a_100020623730_100009816938 [0,2,0,0,0,0|0,0,0]=2 3218 B19R3.755719 OC[C@H](NCc1cccc2c1scc2)C3CC3 270004a_100020623730_100011934923 [0,2,0,0,0,0|0,0,0]=2 3219 B19R3.755719 OC[C@H](NCc1cccc2c1scc2)C3CC3 34a_100020623730_100009816938 [0,2,0,0,0,0|0,0,0]=2 3220 B19R3.755719 OC[C@H](NCc1cccc2n1ncc2)C3CC3 207a_100020623730_100000047034 [0,2,0,0,0,0|2,0,0]=4 3221 B19R3.755719 OC[C@H](NCc1cccc2n1ncc2)C3CC3 270004a_100020623730_100000047034 [0,2,0,0,0,0|2,0,0]=4 3222 B19R3.755719 OC[C@H](NCc1cccn2c1ncc2)C3CC3 207a_100020623730_100000084367 [0,2,0,0,0,0|2,0,0]=4 3223 B19R3.755719 OC[C@H](NCc1cccn2c1ncc2)C3CC3 270004a_100020623730_100000084367 [0,2,0,0,0,0|2,0,0]=4 3224 B19R3.6750325 CC(C)(NCc1cccc2c1[nH]cc2)C3CC3 207a_100000695267_100000750900 [0,2,0,0,0,0|1,0,0]=3 3225 B19R3.6750325 CC(C)(NCc1cccc2c1[nH]cc2)C3CC3 270004a_100000695267_100000750900 [0,2,0,0,0,0|1,0,0]=3 3226 B19R3.6750325 CC(C)(NCc1cccc2c1[nH]cn2)C3CC3 207a_100000695267_100000100021 [0,2,0,0,0,0|2,0,0]=4 3227 B19R3.6750325 CC(C)(NCc1cccc2c1[nH]cn2)C3CC3 270004a_100000695267_100000100021 [0,2,0,0,0,0|2,0,0]=4 3228 B19R3.6750325 CC(C)(NCc1cccc2c1[nH]nc2)C3CC3 207a_100000695267_100000068382 [0,2,0,0,0,0|2,0,0]=4 3229 B19R3.6750325 CC(C)(NCc1cccc2c1[nH]nc2)C3CC3 2230a_100000695267_100000099550 [0,2,0,0,0,0|2,0,0]=4 3230 B19R3.6750325 CC(C)(NCc1cccc2c1[nH]nc2)C3CC3 270004a_100000695267_100000068382 [0,2,0,0,0,0|2,0,0]=4 3231 B19R3.6750325 CC(C)(NCc1cccc2c1cc[nH]2)C3CC3 207a_100000695267_100000750904 [0,2,0,0,0,0|2,0,0]=4 3232 B19R3.6750325 CC(C)(NCc1cccc2c1ccs2)C3CC3 207a_100000695267_100009860987 [0,2,0,0,0,0|2,0,0]=4 3233 B19R3.6750325 CC(C)(NCc1cccc2c1ccs2)C3CC3 270004a_100000695267_100009860987 [0,2,0,0,0,0|2,0,0]=4 3234 B19R3.6750325 CC(C)(NCc1cccc2c1ncs2)C3CC3 2230a_100000695267_100010883896 [0,2,0,0,0,0|2,0,0]=4 3235 B19R3.6750325 CC(C)(NCc1cccc2c1occ2)C3CC3 207a_100000695267_100000050329 [0,2,0,0,0,0|0,1,0]=3 3236 B19R3.6750325 CC(C)(NCc1cccc2c1occ2)C3CC3 270004a_100000695267_100000050329 [0,2,0,0,0,0|0,1,0]=3 3237 B19R3.6750325 CC(C)(NCc1cccc2c1scc2)C3CC3 207a_100000695267_100011934923 [0,2,0,0,0,0|0,0,0]=2 3238 B19R3.6750325 CC(C)(NCc1cccc2c1scc2)C3CC3 2230a_100000695267_100009816938 [0,2,0,0,0,0|0,0,0]=2 3239 B19R3.6750325 CC(C)(NCc1cccc2c1scc2)C3CC3 270004a_100000695267_100011934923 [0,2,0,0,0,0|0,0,0]=2 3240 B19R3.6750325 CC(C)(NCc1cccc2n1ncc2)C3CC3 207a_100000695267_100000047034 [0,2,0,0,0,0|2,0,0]=4 3241 B19R3.6750325 CC(C)(NCc1cccc2n1ncc2)C3CC3 270004a_100000695267_100000047034 [0,2,0,0,0,0|2,0,0]=4 3242 B19R3.6750325 CC(C)(NCc1cccn2c1ncc2)C3CC3 207a_100000695267_100000084367 [0,2,0,0,0,0|2,0,0]=4 3243 B19R3.6750325 CC(C)(NCc1cccn2c1ncc2)C3CC3 270004a_100000695267_100000084367 [0,2,0,0,0,0|2,0,0]=4 3244 B19R3.7684163 CC(NCc1cccc2c1n(cc2)C)C3CC3 207a_100000700016_100012002307 [0,2,0,0,0,0|1,0,0]=3 3245 B19R3.7684163 CC(NCc1cccc2c1n(cc2)C)C3CC3 269862a_100011935268_100000210639 [0,2,0,0,0,0|1,0,0]=3 3246 B19R3.7684163 CC(NCc1cccc2c1n(cc2)C)C3CC3 270004a_100000700016_100012002307 [0,2,0,0,0,0|1,0,0]=3 3247 B19R3.7684163 CC(NCc1cccc2c1n(cc2)C)C3CO3 270004a_100011935268_100000031964 [0,2,0,0,0,0|2,0,0]=4 3248 B19R3.7684163 CC(NCc1cccc2c1n(nc2)C)C3CC3 207a_100000700016_100000102508 [0,2,0,0,0,0|2,0,0]=4 3249 B19R3.7684163 CC(NCc1cccc2c1n(nc2)C)C3CC3 269862a_102516457515_100000210639 [0,2,0,0,0,0|2,0,0]=4 3250 B19R3.7684163 CC(NCc1cccc2c1n(nc2)C)C3CC3 270004a_100000700016_100000102508 [0,2,0,0,0,0|2,0,0]=4 3251 B19R3.7684163 Cn1ccc2c1c(ccc2)CNC(=O)C3CC3 11a_100011935268_100000210395 [0,2,0,0,0,0|1,0,1]=4 3252 B19R3.7684163 Cn1ccc2c1c(ccc2)CNC(=O)C3CC3 1626a_100011935268_100000210395 [0,2,0,0,0,0|1,0,1]=4 3253 B19R3.7684163 Cn1ccc2c1c(ccc2)CNC(=O)C3CC3 240690a_100011935268_100000210395 [0,2,0,0,0,0|1,0,1]=4 3254 B19R3.7684163 Cn1ccc2c1c(ccc2)CNC(=O)C3CC3 527a_100011935268_100000210395 [0,2,0,0,0,0|1,0,1]=4 3255 B15R1.238 C=Cc1cccc(c1F)CNCCCC 271570a_100011290941_200012662977 [0,0,2,0,0,0|1,0,0]=3 3256 B15R1.236 C=C=Cc1cccc(c1)CNCCCC 271570a_100015277604_100015186518 [0,0,2,0,0,0|1,0,1]=4 3257 B15R1.236 CC=Cc1cccc(c1)CCCCCC 271570a_100016259895_100009816010 [0,0,2,0,0,0|2,0,0]=4 3258 B15R1.236 CC=Cc1cccc(c1)CNCCCC 271570a_100016259895_100015186518 [0,0,2,0,0,0|1,0,0]=3 3259 B15R1.242 C=CCc1ccccc1CNCCCC 207a_100000102301_100010619294 [0,0,2,0,0,0|1,0,0]=3 3260 B15R1.242 C=CCc1ccccc1CNCCCC 270004a_100000102301_100010619294 [0,0,2,0,0,0|1,0,0]=3 3261 B15R1.242 C=CCc1ccccc1CNCCCF 207a_100015189416_100010619294 [0,0,2,0,0,0|2,0,0]=4 3262 B15R1.242 C=CCc1ccccc1CNCCCF 270004a_100015189416_100010619294 [0,0,2,0,0,0|2,0,0]=4 3263 B15R1.242 C=CCc1ccccc1CNCCCO 207a_100000182051_100010619294 [0,0,2,0,0,0|2,0,0]=4 3264 B15R1.242 C=CCc1ccccc1CNCCCO 270004a_100000182051_100010619294 [0,0,2,0,0,0|2,0,0]=4 3265 B15R1.242 C=CCc1ccccc1CNCCOC 207a_100000209980_100010619294 [0,0,2,0,0,0|2,0,0]=4 3266 B15R1.242 C=CCc1ccccc1CNCCOC 270004a_100000209980_100010619294 [0,0,2,0,0,0|2,0,0]=4 3267 B15R1.242 C=CCc1ccccc1CNCCSC 207a_100020590264_100010619294 [0,0,2,0,0,0|2,0,0]=4 3268 B15R1.242 C=CCc1ccccc1CNCCSC 270004a_100020590264_100010619294 [0,0,2,0,0,0|2,0,0]=4 3269 B15R1.568 C=C=Cc1cccc(c1)CNCC(C)C 271570a_100015277604_100015187148 [0,0,2,0,0,0|1,0,1]=4 3270 B15R1.568 CC=Cc1cccc(c1)CNCC(C)C 271570a_100016259895_100015187148 [0,0,2,0,0,0|1,0,0]=3 3271 B15R1.589 C=CCc1ccccc1CNCC(C)C 207a_100000210953_100010619294 [0,0,2,0,0,0|1,0,0]=3 3272 B15R1.589 C=CCc1ccccc1CNCC(C)C 26a_100000210953_100000211836 [0,0,2,0,0,0|1,0,0]=3 3273 B15R1.589 C=CCc1ccccc1CNCC(C)C 270004a_100000210953_100010619294 [0,0,2,0,0,0|1,0,0]=3 3274 B15R1.589 C=CCc1ccccc1CNCC(C)O 207a_100000210904_100010619294 [0,0,2,0,0,0|2,0,0]=4 3275 B15R1.589 C=CCc1ccccc1CNCC(C)O 270004a_100000210904_100010619294 [0,0,2,0,0,0|2,0,0]=4 3276 B17R3.1910 C(=C1CCCC1)c2cccc3c2scc3 271570a_100010378317_100000766737 [0,0,1,1,0,0|1,0,1]=4 3277 B17R3.1910 C1=CCN(C1)Cc2cccc3c2scc3 269982a_100015195280_100009816938 [0,0,1,1,0,0|0,0,2]=4 3278 B17R3.1910 c1cc(c2[nH]ccc2c1)CN3CCCC3 270004a_100000188435_100000750900 [0,0,1,1,0,0|1,0,0]=3 3279 B17R3.1910 c1cc(c2[nH]ccc2c1)CN3CCSC3 270004a_100011215254_100000750900 [0,0,1,1,0,0|2,0,0]=4 3280 B17R3.1910 c1cc(c2[nH]cnc2c1)CN3CCCC3 270004a_100000188435_100000100021 [0,0,1,1,0,0|2,0,0]=4 3281 B17R3.1910 c1cc(c2[nH]ncc2c1)CN3CCCC3 2230a_100000188435_100000099550 [0,0,1,1,0,0|2,0,0]=4 3282 B17R3.1910 c1cc(c2[nH]ncc2c1)CN3CCCC3 269982a_100000188435_100000099550 [0,0,1,1,0,0|2,0,0]=4 3283 B17R3.1910 c1cc(c2[nH]ncc2c1)CN3CCCC3 270004a_100000188435_100000068382 [0,0,1,1,0,0|2,0,0]=4 3284 B17R3.1910 c1cc(c2ccsc2c1)CN3CCCC3 270004a_100000188435_100009860987 [0,0,1,1,0,0|2,0,0]=4 3285 B17R3.1910 c1cc(c2nccn2c1)CN3CCCC3 270004a_100000188435_100000084367 [0,0,1,1,0,0|2,0,0]=4 3286 B17R3.1910 c1cc(c2ncsc2c1)CN3CCCC3 2230a_100000188435_100010883896 [0,0,1,1,0,0|2,0,0]=4 3287 B17R3.1910 c1cc(c2ncsc2c1)CN3CCCC3 269982a_100000188435_100010883896 [0,0,1,1,0,0|2,0,0]=4 3288 B17R3.1910 c1cc(c2occc2c1)CN3CCCC3 270004a_100000188435_100000050329 [0,0,1,1,0,0|0,1,0]=3 3289 B17R3.1910 c1cc(c2occc2c1)CN3CCSC3 270004a_100011215254_100000050329 [0,0,1,1,0,0|1,1,0]=4 3290 B17R3.1910 c1cc(c2sccc2c1)CN3CCCC3 2230a_100000188435_100009816938 [0,0,1,1,0,0|0,0,0]=2 3291 B17R3.1910 c1cc(c2sccc2c1)CN3CCCC3 269982a_100000188435_100009816938 [0,0,1,1,0,0|0,0,0]=2 3292 B17R3.1910 c1cc(c2sccc2c1)CN3CCCC3 270004a_100000188435_100011934923 [0,0,1,1,0,0|0,0,0]=2 3293 B17R3.1910 c1cc(c2sccc2c1)CN3CCSC3 2230a_100011215254_100009816938 [0,0,1,1,0,0|1,0,0]=3 3294 B17R3.1910 c1cc(c2sccc2c1)CN3CCSC3 269982a_100011215254_100009816938 [0,0,1,1,0,0|1,0,0]=3 3295 B17R3.1910 c1cc(c2sccc2c1)CN3CCSC3 270004a_100011215254_100011934923 [0,0,1,1,0,0|1,0,0]=3 3296 B17R3.1910 c1cc(c2sccc2c1)SC3CCCC3 62a_100011217020_100000766737 [0,0,1,1,0,0|2,0,0]=4 3297 B17R3.1910 c1cc(n2nccc2c1)CN3CCCC3 270004a_100000188435_100000047034 [0,0,1,1,0,0|2,0,0]=4 3298 B17R3.4525 CC1CCN1Cc2cccc3c2[nH]nc3 269982a_100000755817_100000099550 [0,0,1,1,0,0|2,0,0]=4 3299 B17R3.4525 CC1CCN1Cc2cccc3c2[nH]nc3 34a_100000755817_100000099550 [0,0,1,1,0,0|2,0,0]=4 3300 B17R3.4525 CC1CCN1Cc2cccc3c2ncs3 269982a_100000755817_100010883896 [0,0,1,1,0,0|2,0,0]=4 3301 B17R3.4525 CC1CCN1Cc2cccc3c2ncs3 34a_100000755817_100010883896 [0,0,1,1,0,0|2,0,0]=4 3302 B17R3.4525 CC1CCN1Cc2cccc3c2scc3 269982a_100000755817_100009816938 [0,0,1,1,0,0|0,0,0]=2 3303 B17R3.4525 CC1CCN1Cc2cccc3c2scc3 34a_100000755817_100009816938 [0,0,1,1,0,0|0,0,0]=2 3304 B17R3.8707 C1=C(CCCC1)c2cccc3c2scc3 271570a_100000062251_100000766737 [0,0,1,1,0,0|1,0,1]=4 3305 B17R3.20932 c1cc(c2[nH]ccc2c1)CNC3COC3 207a_100016991112_100000750900 [0,0,1,1,0,0|2,0,0]=4 3306 B17R3.20932 c1cc(c2[nH]ccc2c1)CNC3COC3 270004a_100016991112_100000750900 [0,0,1,1,0,0|2,0,0]=4 3307 B17R3.20932 c1cc(c2[nH]ccc2c1)CNC3CSC3 207a_100016994217_100000750900 [0,0,1,1,0,0|2,0,0]=4 3308 B17R3.20932 c1cc(c2[nH]ccc2c1)CNC3CSC3 270004a_100016994217_100000750900 [0,0,1,1,0,0|2,0,0]=4 3309 B17R3.20932 c1cc(c2[nH]ncc2c1)CNC3CCC3 2230a_100000749019_100000099550 [0,0,1,1,0,0|2,0,0]=4 3310 B17R3.20932 c1cc(c2[nH]ncc2c1)CNC3CCC3 270004a_100000099547_100000241760 [0,0,1,1,0,0|2,0,0]=4 3311 B17R3.20932 c1cc(c2[nH]ncc2c1)CNC3CCC3 34a_100000749019_100000099550 [0,0,1,1,0,0|2,0,0]=4 3312 B17R3.20932 c1cc(c2cc[nH]c2c1)CNC3CCC3 270004a_100011912549_100000241760 [0,0,1,1,0,0|2,0,0]=4 3313 B17R3.20932 c1cc(c2ncsc2c1)CNC3CCC3 2230a_100000749019_100010883896 [0,0,1,1,0,0|2,0,0]=4 3314 B17R3.20932 c1cc(c2ncsc2c1)CNC3CCC3 34a_100000749019_100010883896 [0,0,1,1,0,0|2,0,0]=4 3315 B17R3.20932 c1cc(c2occc2c1)CNC3COC3 207a_100016991112_100000050329 [0,0,1,1,0,0|1,1,0]=4 3316 B17R3.20932 c1cc(c2occc2c1)CNC3COC3 270004a_100016991112_100000050329 [0,0,1,1,0,0|1,1,0]=4 3317 B17R3.20932 c1cc(c2occc2c1)CNC3CSC3 207a_100016994217_100000050329 [0,0,1,1,0,0|1,1,0]=4 3318 B17R3.20932 c1cc(c2occc2c1)CNC3CSC3 270004a_100016994217_100000050329 [0,0,1,1,0,0|1,1,0]=4 3319 B17R3.20932 c1cc(c2sccc2c1)CNC3CCC3 2230a_100000749019_100009816938 [0,0,1,1,0,0|0,0,0]=2 3320 B17R3.20932 c1cc(c2sccc2c1)CNC3CCC3 34a_100000749019_100009816938 [0,0,1,1,0,0|0,0,0]=2 3321 B17R3.20932 c1cc(c2sccc2c1)CNC3COC3 207a_100016991112_100011934923 [0,0,1,1,0,0|1,0,0]=3 3322 B17R3.20932 c1cc(c2sccc2c1)CNC3COC3 2230a_100016991112_100009816938 [0,0,1,1,0,0|1,0,0]=3 3323 B17R3.20932 c1cc(c2sccc2c1)CNC3COC3 270004a_100016991112_100011934923 [0,0,1,1,0,0|1,0,0]=3 3324 B17R3.20932 c1cc(c2sccc2c1)CNC3CSC3 207a_100016994217_100011934923 [0,0,1,1,0,0|1,0,0]=3 3325 B17R3.20932 c1cc(c2sccc2c1)CNC3CSC3 270004a_100016994217_100011934923 [0,0,1,1,0,0|1,0,0]=3 3326 B17R3.20932 c1cc(c2sccc2c1)COC3CCC3 34a_100000748187_100009816938 [0,0,1,1,0,0|1,0,0]=3 3327 B17R3.20932 c1cc(c2sccc2c1)COC3CSC3 7a_100000072292_100009816938 [0,0,1,1,0,0|2,0,0]=4 3328 B17R3.20932 c1cc(c2sccc2c1)SCC3CCC3 62a_100000763275_100000766737 [0,0,1,1,0,0|2,0,0]=4 3329 B17R3.5204 CC1CN(C1)Cc2cccc3c2[nH]cc3 270004a_100000702820_100000750900 [0,0,1,1,0,0|1,0,0]=3 3330 B17R3.5204 CC1CN(C1)Cc2cccc3c2[nH]cn3 270004a_100000702820_100000100021 [0,0,1,1,0,0|2,0,0]=4 3331 B17R3.5204 CC1CN(C1)Cc2cccc3c2[nH]nc3 2230a_100000702820_100000099550 [0,0,1,1,0,0|2,0,0]=4 3332 B17R3.5204 CC1CN(C1)Cc2cccc3c2[nH]nc3 269982a_100000702820_100000099550 [0,0,1,1,0,0|2,0,0]=4 3333 B17R3.5204 CC1CN(C1)Cc2cccc3c2[nH]nc3 270004a_100000702820_100000068382 [0,0,1,1,0,0|2,0,0]=4 3334 B17R3.5204 CC1CN(C1)Cc2cccc3c2[nH]nc3 34a_100000702820_100000099550 [0,0,1,1,0,0|2,0,0]=4 3335 B17R3.5204 CC1CN(C1)Cc2cccc3c2ccs3 270004a_100000702820_100009860987 [0,0,1,1,0,0|2,0,0]=4 3336 B17R3.5204 CC1CN(C1)Cc2cccc3c2ncs3 2230a_100000702820_100010883896 [0,0,1,1,0,0|2,0,0]=4 3337 B17R3.5204 CC1CN(C1)Cc2cccc3c2ncs3 269982a_100000702820_100010883896 [0,0,1,1,0,0|2,0,0]=4 3338 B17R3.5204 CC1CN(C1)Cc2cccc3c2ncs3 34a_100000702820_100010883896 [0,0,1,1,0,0|2,0,0]=4 3339 B17R3.5204 CC1CN(C1)Cc2cccc3c2occ3 270004a_100000702820_100000050329 [0,0,1,1,0,0|0,1,0]=3 3340 B17R3.5204 CC1CN(C1)Cc2cccc3c2scc3 2230a_100000702820_100009816938 [0,0,1,1,0,0|0,0,0]=2 3341 B17R3.5204 CC1CN(C1)Cc2cccc3c2scc3 269982a_100000702820_100009816938 [0,0,1,1,0,0|0,0,0]=2 3342 B17R3.5204 CC1CN(C1)Cc2cccc3c2scc3 270004a_100000702820_100011934923 [0,0,1,1,0,0|0,0,0]=2 3343 B17R3.5204 CC1CN(C1)Cc2cccc3c2scc3 34a_100000702820_100009816938 [0,0,1,1,0,0|0,0,0]=2 3344 B17R3.5204 CC1CN(C1)Cc2cccc3n2ncc3 270004a_100000702820_100000047034 [0,0,1,1,0,0|2,0,0]=4 3345 B17R3.5204 CC1CN(C1)Cc2cccn3c2ncc3 270004a_100000702820_100000084367 [0,0,1,1,0,0|2,0,0]=4 3346 B17R3.5204 FC1CN(C1)Cc2cccc3c2[nH]cc3 270004a_100000690557_100000750900 [0,0,1,1,0,0|2,0,0]=4 3347 B17R3.5204 FC1CN(C1)Cc2cccc3c2occ3 270004a_100000690557_100000050329 [0,0,1,1,0,0|1,1,0]=4 3348 B17R3.5204 FC1CN(C1)Cc2cccc3c2scc3 2230a_100000690557_100009816938 [0,0,1,1,0,0|1,0,0]=3 3349 B17R3.5204 FC1CN(C1)Cc2cccc3c2scc3 269982a_100000690557_100009816938 [0,0,1,1,0,0|1,0,0]=3 3350 B17R3.5204 FC1CN(C1)Cc2cccc3c2scc3 270004a_100000690557_100011934923 [0,0,1,1,0,0|1,0,0]=3 3351 B17R3.5204 FC1CN(C1)Cc2cccc3c2scc3 34a_100000690557_100009816938 [0,0,1,1,0,0|1,0,0]=3 3352 B17R3.5204 OC1CN(C1)Cc2cccc3c2scc3 269982a_100000749847_100009816938 [0,0,1,1,0,0|1,0,0]=3 3353 B17R3.127909 c1cc2[nH]ncc2cc1CNCC3CC3 269862a_100016989852_100000741477 [0,0,1,1,0,0|2,0,0]=4 3354 B17R3.127909 c1cc2cc(ccc2[nH]1)CNCC3CC3 207a_100000735609_100011197475 [0,0,1,1,0,0|1,0,0]=3 3355 B17R3.127909 c1cc2cc(ccc2[nH]1)CNCC3CC3 269862a_100011837653_100000741477 [0,0,1,1,0,0|1,0,0]=3 3356 B17R3.127909 c1cc2cc(ccc2[nH]1)CNCC3CC3 270004a_100000735609_100011197475 [0,0,1,1,0,0|1,0,0]=3 3357 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 207a_100000735609_100000040644 [0,0,1,1,0,0|0,1,0]=3 3358 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 2230a_100020591328_100000742324 [0,0,1,1,0,0|0,1,0]=3 3359 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 269862a_100020591328_100000741477 [0,0,1,1,0,0|0,1,0]=3 3360 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 270004a_100000735609_100000040644 [0,0,1,1,0,0|0,1,0]=3 3361 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 34a_100020591328_100000742324 [0,0,1,1,0,0|0,1,0]=3 3362 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CO3 2230a_100020591328_100011216344 [0,0,1,1,0,0|1,1,0]=4 3363 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CO3 34a_100020591328_102125554688 [0,0,1,1,0,0|1,1,0]=4 3364 B17R3.127909 c1cc2cc(ccc2o1)COCC3CC3 34a_100000067418_100000742324 [0,0,1,1,0,0|1,1,0]=4 3365 B17R3.127909 c1cc2cc(ccc2o1)COCC3CC3 7a_100000067418_100000742324 [0,0,1,1,0,0|1,1,0]=4 3366 B17R3.127909 c1cc2cc(ccc2s1)CCOC3CC3 34a_100000087132_100000211595 [0,0,1,1,0,0|2,0,0]=4 3367 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 207a_100000735609_100000050658 [0,0,1,1,0,0|0,0,0]=2 3368 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 2230a_100000732457_100000742324 [0,0,1,1,0,0|0,0,0]=2 3369 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 269862a_100000732457_100000741477 [0,0,1,1,0,0|0,0,0]=2 3370 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 270004a_100000735609_100000050658 [0,0,1,1,0,0|0,0,0]=2 3371 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 34a_100000732457_100000742324 [0,0,1,1,0,0|0,0,0]=2 3372 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CO3 2230a_100000732457_100011216344 [0,0,1,1,0,0|1,0,0]=3 3373 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CO3 34a_100000732457_102125554688 [0,0,1,1,0,0|1,0,0]=3 3374 B17R3.127909 c1cc2cc(ccc2s1)COCC3CC3 34a_100000068000_100000742324 [0,0,1,1,0,0|1,0,0]=3 3375 B17R3.127909 c1cc2cc(ccc2s1)COCC3CC3 7a_100000068000_100000742324 [0,0,1,1,0,0|1,0,0]=3 3376 B17R3.127909 c1cc2cc(ccc2s1)COCC3CO3 34a_100000068000_102125554688 [0,0,1,1,0,0|2,0,0]=4 3377 B17R3.127909 c1cc2cc(ccc2s1)COCC3CO3 7a_100000068000_102125554688 [0,0,1,1,0,0|2,0,0]=4 3378 B17R3.127909 c1cc2cc(ccc2s1)COCC3CS3 7a_100000068000_100000031435 [0,0,1,1,0,0|2,0,0]=4 3379 B17R3.127909 c1cc2cc(ccc2s1)COC[C@@H]3CO3 7a_100000068000_100000745022 [0,0,1,1,0,0|2,0,0]=4 3380 B17R3.127909 c1cc2cc(ccc2s1)NCCC3CC3 34a_100000681076_100000694398 [0,0,1,1,0,0|2,0,0]=4 3381 B17R3.127909 c1cc2cc(ccc2s1)OCCC3CC3 34a_100012180905_100000694398 [0,0,1,1,0,0|2,0,0]=4 3382 B17R3.127909 c1cc2cc(ccc2s1)OCCC3CC3 7a_100012180905_100000764125 [0,0,1,1,0,0|2,0,0]=4 3383 B17R3.127909 c1cc2cc(ccc2s1)SCCC3CC3 62a_100000764125_100009814439 [0,0,1,1,0,0|2,0,0]=4 3384 B17R3.127909 c1cc2cc(ccn2n1)CNCC3CC3 207a_100000735609_100009861398 [0,0,1,1,0,0|2,0,0]=4 3385 B17R3.127909 c1cc2cc(ccn2n1)CNCC3CC3 270004a_100000735609_100009861398 [0,0,1,1,0,0|2,0,0]=4 3386 B17R3.127909 c1cc2cc(cnc2[nH]1)CNCC3CC3 207a_100000735609_100000050907 [0,0,1,1,0,0|2,0,0]=4 3387 B17R3.127909 c1cc2cc(cnc2[nH]1)CNCC3CC3 269862a_103496528114_100000741477 [0,0,1,1,0,0|2,0,0]=4 3388 B17R3.127909 c1cc2cc(cnc2[nH]1)CNCC3CC3 270004a_100000735609_100000050907 [0,0,1,1,0,0|2,0,0]=4 3389 B17R3.127909 c1cc2cc(ncc2[nH]1)CNCC3CC3 207a_100000735609_100000099776 [0,0,1,1,0,0|2,0,0]=4 3390 B17R3.127909 c1cc2cc(ncc2[nH]1)CNCC3CC3 270004a_100000735609_100000099776 [0,0,1,1,0,0|2,0,0]=4 3391 B17R3.127909 c1cc2cc(ncc2o1)CNCC3CC3 207a_100000735609_100000059709 [0,0,1,1,0,0|1,1,0]=4 3392 B17R3.127909 c1cc2cc(ncc2o1)CNCC3CC3 270004a_100000735609_100000059709 [0,0,1,1,0,0|1,1,0]=4 3393 B17R3.127909 c1cc2ccc(cc2[nH]1)CNCC3CC3 207a_100000735609_100011218920 [0,0,1,1,0,0|2,0,0]=4 3394 B17R3.127909 c1cc2ccc(cc2[nH]1)CNCC3CC3 269862a_100011912548_100000741477 [0,0,1,1,0,0|2,0,0]=4 3395 B17R3.127909 c1cc2ccc(cc2[nH]1)CNCC3CC3 270004a_100000735609_100011218920 [0,0,1,1,0,0|2,0,0]=4 3396 B17R3.127909 c1cc2ccc(cc2s1)CNCC3CC3 207a_100000735609_100000112508 [0,0,1,1,0,0|2,0,0]=4 3397 B17R3.127909 c1cc2ccc(cc2s1)CNCC3CC3 270004a_100000735609_100000112508 [0,0,1,1,0,0|2,0,0]=4 3398 B17R3.127909 c1cc2n[nH]cc2cc1CNCC3CC3 207a_100000735609_100000068381 [0,0,1,1,0,0|2,0,0]=4 3399 B17R3.127909 c1cc2n[nH]cc2cc1CNCC3CC3 270004a_100000735609_100000068381 [0,0,1,1,0,0|2,0,0]=4 3400 B17R3.127909 c1cc2snnc2cc1CNCC3CC3 270004a_100000735609_100000069034 [0,0,1,1,0,0|2,0,0]=4 3401 B17R3.127909 c1cn2cc(ccc2n1)CNCC3CC3 207a_100000735609_100000059712 [0,0,1,1,0,0|2,0,0]=4 3402 B17R3.127909 c1cn2cc(ccc2n1)CNCC3CC3 270004a_100000735609_100000059712 [0,0,1,1,0,0|2,0,0]=4 3403 B17R3.127909 c1nc2cc(ccc2o1)CNCC3CC3 207a_100000735609_100010271902 [0,0,1,1,0,0|1,1,0]=4 3404 B17R3.127909 c1nc2cc(ccc2o1)CNCC3CC3 2230a_100000735609_200010203175 [0,0,1,1,0,0|1,1,0]=4 3405 B17R3.127909 c1nc2cc(ccc2o1)CNCC3CC3 270004a_100000735609_100010271902 [0,0,1,1,0,0|1,1,0]=4 3406 B17R3.127909 c1nc2cc(ccc2o1)CNCC3CC3 34a_100000735609_200010203175 [0,0,1,1,0,0|1,1,0]=4 3407 B17R3.127909 c1nc2cc(ccc2s1)CNCC3CC3 207a_100000735609_100000718305 [0,0,1,1,0,0|1,0,0]=3 3408 B17R3.127909 c1nc2cc(ccc2s1)CNCC3CC3 270004a_100000735609_100000718305 [0,0,1,1,0,0|1,0,0]=3 3409 B17R3.127909 c1nc2cc(ccc2s1)COCC3CC3 34a_100009883289_100000742324 [0,0,1,1,0,0|2,0,0]=4 3410 B17R3.127909 c1nc2ccc(cc2[nH]1)CNCC3CC3 207a_100000735609_100000059205 [0,0,1,1,0,0|2,0,0]=4 3411 B17R3.127909 c1nc2ccc(cc2[nH]1)CNCC3CC3 270004a_100000735609_100000059205 [0,0,1,1,0,0|2,0,0]=4 3412 B17R3.127909 c1nc2ccc(cc2o1)CNCC3CC3 207a_100000735609_100000059852 [0,0,1,1,0,0|2,0,0]=4 3413 B17R3.127909 c1nc2ccc(cc2o1)CNCC3CC3 2230a_100000735609_106359897996 [0,0,1,1,0,0|2,0,0]=4 3414 B17R3.127909 c1nc2ccc(cc2o1)CNCC3CC3 270004a_100000735609_100000059852 [0,0,1,1,0,0|2,0,0]=4 3415 B17R3.127909 c1nc2ccc(cc2o1)CNCC3CC3 34a_100000735609_106359897996 [0,0,1,1,0,0|2,0,0]=4 3416 B17R3.127909 c1nc2ccc(cc2s1)CNCC3CC3 207a_100000735609_100009861089 [0,0,1,1,0,0|2,0,0]=4 3417 B17R3.127909 c1nc2ccc(cc2s1)CNCC3CC3 2230a_100000735609_100009847474 [0,0,1,1,0,0|2,0,0]=4 3418 B17R3.127909 c1nc2ccc(cc2s1)CNCC3CC3 270004a_100000735609_100009861089 [0,0,1,1,0,0|2,0,0]=4 3419 B17R3.127909 c1nc2ccc(cc2s1)CNCC3CC3 34a_100000735609_100009847474 [0,0,1,1,0,0|2,0,0]=4 3420 B17R3.1965 c1ccc2c(cccc2c1)NCC3CC3 34a_100000185869_100000742324 [0,0,1,1,0,0|1,0,1]=4 3421 B17R3.1965 c1ccc2c(ccnc2c1)NCC3CC3 27a_100000735609_100011215880 [0,0,1,1,0,0|1,0,1]=4 3422 B17R3.1964 c1cc2c(c[nH]c2cn1)CNCC3CC3 270004a_100000735609_100000087688 [0,0,1,1,0,0|2,0,0]=4 3423 B17R3.1964 c1ccc2c([nH]nc2c1)CNCC3CC3 269862a_100011642502_100000741477 [0,0,1,1,0,0|2,0,0]=4 3424 B17R3.1964 c1ccc2c(c1)SCC2=NNCC3CC3 4a_100000736359_100000062685 [0,0,1,1,0,0|1,0,1]=4 3425 B17R3.1964 c1ccc2c(coc2c1)CNCC3CC3 207a_100000735609_100000688544 [0,0,1,1,0,0|0,1,0]=3 3426 B17R3.1964 c1ccc2c(coc2c1)CNCC3CC3 270004a_100000735609_100000688544 [0,0,1,1,0,0|0,1,0]=3 3427 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 207a_100000735609_100000239721 [0,0,1,1,0,0|0,0,0]=2 3428 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 2230a_100000735609_200000742921 [0,0,1,1,0,0|0,0,0]=2 3429 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 269862a_100000744611_100000741477 [0,0,1,1,0,0|0,0,0]=2 3430 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 270004a_100000735609_100000239721 [0,0,1,1,0,0|0,0,0]=2 3431 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 34a_100000735609_200000742921 [0,0,1,1,0,0|0,0,0]=2 3432 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 34a_100000744611_100000742324 [0,0,1,1,0,0|0,0,0]=2 3433 B17R3.1964 c1ccc2c(csc2c1)CNCC3CO3 34a_100000744611_102125554688 [0,0,1,1,0,0|1,0,0]=3 3434 B17R3.1964 c1ccc2c(csc2c1)COCC3CC3 34a_100000211283_200000742921 [0,0,1,1,0,0|1,0,0]=3 3435 B17R3.1964 c1ccc2c(csc2c1)COCC3CC3 34a_100011219454_100000742324 [0,0,1,1,0,0|1,0,0]=3 3436 B17R3.1964 c1ccc2c(csc2c1)COCC3CO3 34a_100011219454_102125554688 [0,0,1,1,0,0|2,0,0]=4 3437 B17R3.1964 c1ccc2c(csc2c1)COC[C@@H]3CO3 34a_100000757423_200000742921 [0,0,1,1,0,0|2,0,0]=4 3438 B17R3.1964 c1ccc2c(csc2c1)CSCC3CC3 62a_100000756562_200000742921 [0,0,1,1,0,0|1,0,0]=3 3439 B17R3.1964 c1ccc2c(csc2c1)CSCC3CC3 62a_200000742921_100000742324 [0,0,1,1,0,0|1,0,0]=3 3440 B17R3.1964 c1ccc2c(csc2c1)CSCC3CO3 62a_102125554688_200000742921 [0,0,1,1,0,0|2,0,0]=4 3441 B17R3.1964 c1ccc2c(csc2c1)CSCC3CO3 62a_200000742921_102125554688 [0,0,1,1,0,0|2,0,0]=4 3442 B17R3.1964 c1ccc2c(csc2c1)CSCC3CS3 62a_100000031435_200000742921 [0,0,1,1,0,0|2,0,0]=4 3443 B17R3.1964 c1ccc2c(csc2c1)CSCC3CS3 62a_200000742921_100000031435 [0,0,1,1,0,0|2,0,0]=4 3444 B17R3.1964 c1ccc2c(csc2c1)CSC[C@@H]3CO3 62a_100000745022_200000742921 [0,0,1,1,0,0|2,0,0]=4 3445 B17R3.1964 c1ccc2c(csc2c1)CSC[C@@H]3CO3 62a_200000742921_100000745022 [0,0,1,1,0,0|2,0,0]=4 3446 B17R3.1964 c1ccc2c(csc2c1)OCCC3CC3 34a_100000077758_100000694398 [0,0,1,1,0,0|2,0,0]=4 3447 B17R3.1964 c1ccc2c(csc2c1)OCCC3CC3 7a_100000077758_100000764125 [0,0,1,1,0,0|2,0,0]=4 3448 B17R3.1964 c1ccc2c(csc2c1)SCCC3CC3 62a_100000764125_100009813928 [0,0,1,1,0,0|2,0,0]=4 3449 B17R3.1964 c1ccc2c(n[nH]c2c1)CNCC3CC3 207a_100000735609_100000059708 [0,0,1,1,0,0|2,0,0]=4 3450 B17R3.1964 c1ccc2c(n[nH]c2c1)CNCC3CC3 270004a_100000735609_100000059708 [0,0,1,1,0,0|2,0,0]=4 3451 B17R3.1964 c1ccc2c(noc2c1)CNCC3CC3 34a_100000735609_100009813815 [0,0,1,1,0,0|1,1,0]=4 3452 B17R3.1964 c1ccn2c(cnc2c1)CNCC3CC3 207a_100000735609_100000052358 [0,0,1,1,0,0|2,0,0]=4 3453 B17R3.1964 c1ccn2c(cnc2c1)CNCC3CC3 2230a_100015187830_100000742324 [0,0,1,1,0,0|2,0,0]=4 3454 B17R3.1964 c1ccn2c(cnc2c1)CNCC3CC3 269862a_100015187830_100000741477 [0,0,1,1,0,0|2,0,0]=4 3455 B17R3.1964 c1ccn2c(cnc2c1)CNCC3CC3 270004a_100000735609_100000052358 [0,0,1,1,0,0|2,0,0]=4 3456 B17R3.1964 c1ccn2ncc(c2c1)CNCC3CC3 207a_100000735609_100011787723 [0,0,1,1,0,0|2,0,0]=4 3457 B17R3.1964 c1ccn2ncc(c2c1)CNCC3CC3 270004a_100000735609_100011787723 [0,0,1,1,0,0|2,0,0]=4 3458 B17R3.123688 c1ccc2[nH]c(cc2c1)CNCC3CC3 270004a_100000735609_100000051030 [0,0,1,1,0,0|2,0,0]=4 3459 B17R3.123688 c1ccc2oc(cc2c1)CNCC3CC3 207a_100000735609_100000229944 [0,0,1,1,0,0|2,0,0]=4 3460 B17R3.123688 c1ccc2oc(cc2c1)CNCC3CC3 269862a_100011220112_100000741477 [0,0,1,1,0,0|2,0,0]=4 3461 B17R3.123688 c1ccc2oc(cc2c1)CNCC3CC3 270004a_100000735609_100000229944 [0,0,1,1,0,0|2,0,0]=4 3462 B17R3.123688 c1ccc2sc(cc2c1)CNCC3CC3 207a_100000735609_100000686906 [0,0,1,1,0,0|2,0,0]=4 3463 B17R3.123688 c1ccc2sc(cc2c1)CNCC3CC3 2230a_100015187092_100000742324 [0,0,1,1,0,0|2,0,0]=4 3464 B17R3.123688 c1ccc2sc(cc2c1)CNCC3CC3 269862a_100015187092_100000741477 [0,0,1,1,0,0|2,0,0]=4 3465 B17R3.123688 c1ccc2sc(cc2c1)CNCC3CC3 270004a_100000735609_100000686906 [0,0,1,1,0,0|2,0,0]=4 3466 B17R3.123688 c1ccn2cc(nc2c1)CNCC3CC3 207a_100000735609_100000743146 [0,0,1,1,0,0|2,0,0]=4 3467 B17R3.123688 c1ccn2cc(nc2c1)CNCC3CC3 2230a_100000735609_100000689847 [0,0,1,1,0,0|2,0,0]=4 3468 B17R3.123688 c1ccn2cc(nc2c1)CNCC3CC3 269862a_100000195574_100000741477 [0,0,1,1,0,0|2,0,0]=4 3469 B17R3.123688 c1ccn2cc(nc2c1)CNCC3CC3 34a_100000735609_100000689847 [0,0,1,1,0,0|2,0,0]=4 3470 B19R4.23469 c1cc(c2sccc2n1)N3CCCC34CC4 27a_100020620911_100000764135 [0,0,0,1,0,1|2,0,0]=4 3471 B19R4.23469 c1cc2ccsc2c(n1)N3CCCC34CC4 27a_100020620911_100000117209 [0,0,0,1,0,1|2,0,0]=4 3472 B19R4.1388393 c1cc(c2[nH]ccc2c1)CN3CC4CC4C3 270004a_100000741873_100000750900 [0,1,0,1,0,0|1,0,0]=3 3473 B19R4.1388393 c1cc(c2[nH]cnc2c1)CN3CC4CC4C3 270004a_100000741873_100000100021 [0,1,0,1,0,0|2,0,0]=4 3474 B19R4.1388393 c1cc(c2[nH]ncc2c1)CN3CC4CC4C3 2230a_100000741873_100000099550 [0,1,0,1,0,0|2,0,0]=4 3475 B19R4.1388393 c1cc(c2[nH]ncc2c1)CN3CC4CC4C3 269982a_100000741873_100000099550 [0,1,0,1,0,0|2,0,0]=4 3476 B19R4.1388393 c1cc(c2[nH]ncc2c1)CN3CC4CC4C3 270004a_100000741873_100000068382 [0,1,0,1,0,0|2,0,0]=4 3477 B19R4.1388393 c1cc(c2[nH]ncc2c1)CN3CC4CC4C3 34a_100000741873_100000099550 [0,1,0,1,0,0|2,0,0]=4 3478 B19R4.1388393 c1cc(c2ccsc2c1)CN3CC4CC4C3 270004a_100000741873_100009860987 [0,1,0,1,0,0|2,0,0]=4 3479 B19R4.1388393 c1cc(c2nccn2c1)CN3CC4CC4C3 270004a_100000741873_100000084367 [0,1,0,1,0,0|2,0,0]=4 3480 B19R4.1388393 c1cc(c2ncsc2c1)CN3CC4CC4C3 2230a_100000741873_100010883896 [0,1,0,1,0,0|2,0,0]=4 3481 B19R4.1388393 c1cc(c2ncsc2c1)CN3CC4CC4C3 269982a_100000741873_100010883896 [0,1,0,1,0,0|2,0,0]=4 3482 B19R4.1388393 c1cc(c2ncsc2c1)CN3CC4CC4C3 34a_100000741873_100010883896 [0,1,0,1,0,0|2,0,0]=4 3483 B19R4.1388393 c1cc(c2occc2c1)CN3CC4CC4C3 270004a_100000741873_100000050329 [0,1,0,1,0,0|0,1,0]=3 3484 B19R4.1388393 c1cc(c2sccc2c1)CN3CC4CC4C3 2230a_100000741873_100009816938 [0,1,0,1,0,0|0,0,0]=2 3485 B19R4.1388393 c1cc(c2sccc2c1)CN3CC4CC4C3 269982a_100000741873_100009816938 [0,1,0,1,0,0|0,0,0]=2 3486 B19R4.1388393 c1cc(c2sccc2c1)CN3CC4CC4C3 270004a_100000741873_100011934923 [0,1,0,1,0,0|0,0,0]=2 3487 B19R4.1388393 c1cc(c2sccc2c1)CN3CC4CC4C3 34a_100000741873_100009816938 [0,1,0,1,0,0|0,0,0]=2 3488 B19R4.1388393 c1cc(n2nccc2c1)CN3CC4CC4C3 270004a_100000741873_100000047034 [0,1,0,1,0,0|2,0,0]=4 3489 B19R4.3925437 c1cc(c2[nH]ccc2c1)CN3CC4(C3)CC4 270004a_100015196877_100000750900 [0,1,0,1,0,0|1,0,0]=3 3490 B19R4.3925437 c1cc(c2[nH]cnc2c1)CN3CC4(C3)CC4 270004a_100015196877_100000100021 [0,1,0,1,0,0|2,0,0]=4 3491 B19R4.3925437 c1cc(c2[nH]ncc2c1)CN3CC4(C3)CC4 2230a_100015196877_100000099550 [0,1,0,1,0,0|2,0,0]=4 3492 B19R4.3925437 c1cc(c2[nH]ncc2c1)CN3CC4(C3)CC4 269982a_100015196877_100000099550 [0,1,0,1,0,0|2,0,0]=4 3493 B19R4.3925437 c1cc(c2[nH]ncc2c1)CN3CC4(C3)CC4 270004a_100015196877_100000068382 [0,1,0,1,0,0|2,0,0]=4 3494 B19R4.3925437 c1cc(c2[nH]ncc2c1)CN3CC4(C3)CC4 34a_100015196877_100000099550 [0,1,0,1,0,0|2,0,0]=4 3495 B19R4.3925437 c1cc(c2ccsc2c1)CN3CC4(C3)CC4 270004a_100015196877_100009860987 [0,1,0,1,0,0|2,0,0]=4 3496 B19R4.3925437 c1cc(c2nccn2c1)CN3CC4(C3)CC4 270004a_100015196877_100000084367 [0,1,0,1,0,0|2,0,0]=4 3497 B19R4.3925437 c1cc(c2ncsc2c1)CN3CC4(C3)CC4 2230a_100015196877_100010883896 [0,1,0,1,0,0|2,0,0]=4 3498 B19R4.3925437 c1cc(c2ncsc2c1)CN3CC4(C3)CC4 269982a_100015196877_100010883896 [0,1,0,1,0,0|2,0,0]=4 3499 B19R4.3925437 c1cc(c2ncsc2c1)CN3CC4(C3)CC4 34a_100015196877_100010883896 [0,1,0,1,0,0|2,0,0]=4 3500 B19R4.3925437 c1cc(c2occc2c1)CN3CC4(C3)CC4 270004a_100015196877_100000050329 [0,1,0,1,0,0|0,1,0]=3 3501 B19R4.3925437 c1cc(c2sccc2c1)CN3CC4(C3)CC4 2230a_100015196877_100009816938 [0,1,0,1,0,0|0,0,0]=2 3502 B19R4.3925437 c1cc(c2sccc2c1)CN3CC4(C3)CC4 269982a_100015196877_100009816938 [0,1,0,1,0,0|0,0,0]=2 3503 B19R4.3925437 c1cc(c2sccc2c1)CN3CC4(C3)CC4 270004a_100015196877_100011934923 [0,1,0,1,0,0|0,0,0]=2 3504 B19R4.3925437 c1cc(c2sccc2c1)CN3CC4(C3)CC4 34a_100015196877_100009816938 [0,1,0,1,0,0|0,0,0]=2 3505 B19R4.3925437 c1cc(n2nccc2c1)CN3CC4(C3)CC4 270004a_100015196877_100000047034 [0,1,0,1,0,0|2,0,0]=4 3506 B15R2.4768 C=Cc1cccc(c1F)SCC2CC2 62a_100000756562_100010741937 [0,0,1,0,1,0|2,0,0]=4 3507 B15R2.4768 C=Cc1cccc(c1F)SCC2CC2 62a_100010741937_100000742324 [0,0,1,0,1,0|2,0,0]=4 3508 B15R2.19753 CC(C)C=Cc1cccc2c1scc2 271570a_100016257149_100000766737 [0,0,1,0,1,0|0,0,2]=4 3509 B15R2.19753 CC(C)CNc1cccc2c1ccs2 34a_100020628958_100000210624 [0,0,1,0,1,0|2,0,0]=4 3510 B15R2.19753 CC(C)CNc1cccc2c1nco2 34a_100000717946_100000210624 [0,0,1,0,1,0|2,0,0]=4 3511 B15R2.19753 CC(C)CNc1cccc2c1scn2 34a_100000099145_100000210624 [0,0,1,0,1,0|1,0,0]=3 3512 B15R2.19753 CC(C)CNc1ccnc2c1scc2 27a_100000210953_100000764135 [0,0,1,0,1,0|1,0,0]=3 3513 B15R2.19753 CC(C)CNc1nccc2c1scc2 27a_100000210953_100000117209 [0,0,1,0,1,0|1,0,0]=3 3514 B15R2.19753 CC(C)CNc1ncnc2c1scc2 27a_100000210953_100000234879 [0,0,1,0,1,0|2,0,0]=4 3515 B15R2.19753 CC(C)COc1ccnc2c1scc2 34a_100000759877_100000210624 [0,0,1,0,1,0|2,0,0]=4 3516 B15R2.19753 CC(C)CSc1cccc2c1CC=C2 62a_100000210624_100009844718 [0,0,1,0,1,0|2,0,0]=4 3517 B15R2.19753 CC(C)CSc1cccc2c1CC=C2 62a_100009844718_100000210760 [0,0,1,0,1,0|2,0,0]=4 3518 B15R2.19753 CC(C)CSc1cccc2c1[nH]cc2 62a_100000210624_100009813418 [0,0,1,0,1,0|2,0,0]=4 3519 B15R2.19753 CC(C)CSc1cccc2c1occ2 62a_100000210624_100011935138 [0,0,1,0,1,0|1,1,0]=4 3520 B15R2.19753 CC(C)CSc1cccc2c1scc2 62a_100000210624_100000766737 [0,0,1,0,1,0|1,0,0]=3 3521 B15R2.19753 CC(C)CSc1cccc2c1scn2 62a_100000210624_100010246326 [0,0,1,0,1,0|2,0,0]=4 3522 B15R2.19753 CC(C)CSc1ccnc2c1scc2 62a_100000210624_100000764135 [0,0,1,0,1,0|2,0,0]=4 3523 B15R2.19753 CC(C)CSc1nccc2c1scc2 62a_100000210624_100000117209 [0,0,1,0,1,0|2,0,0]=4 3524 B15R2.19753 CC(C)NCc1cccc2c1[nH]cc2 207a_100138425928_100000750900 [0,0,1,0,1,0|1,0,0]=3 3525 B15R2.19753 CC(C)NCc1cccc2c1[nH]cn2 207a_100138425928_100000100021 [0,0,1,0,1,0|2,0,0]=4 3526 B15R2.19753 CC(C)NCc1cccc2c1[nH]nc2 207a_100138425928_100000068382 [0,0,1,0,1,0|2,0,0]=4 3527 B15R2.19753 CC(C)NCc1cccc2c1[nH]nc2 2230a_100138425928_100000099550 [0,0,1,0,1,0|2,0,0]=4 3528 B15R2.19753 CC(C)NCc1cccc2c1[nH]nc2 34a_100138425928_100000099550 [0,0,1,0,1,0|2,0,0]=4 3529 B15R2.19753 CC(C)NCc1cccc2c1cc[nH]2 207a_100138425928_100000750904 [0,0,1,0,1,0|2,0,0]=4 3530 B15R2.19753 CC(C)NCc1cccc2c1ccs2 207a_100138425928_100009860987 [0,0,1,0,1,0|2,0,0]=4 3531 B15R2.19753 CC(C)NCc1cccc2c1ncs2 2230a_100138425928_100010883896 [0,0,1,0,1,0|2,0,0]=4 3532 B15R2.19753 CC(C)NCc1cccc2c1ncs2 34a_100138425928_100010883896 [0,0,1,0,1,0|2,0,0]=4 3533 B15R2.19753 CC(C)NCc1cccc2c1occ2 207a_100138425928_100000050329 [0,0,1,0,1,0|0,1,0]=3 3534 B15R2.19753 CC(C)NCc1cccc2c1scc2 207a_100138425928_100011934923 [0,0,1,0,1,0|0,0,0]=2 3535 B15R2.19753 CC(C)NCc1cccc2c1scc2 2230a_100138425928_100009816938 [0,0,1,0,1,0|0,0,0]=2 3536 B15R2.19753 CC(C)NCc1cccc2c1scc2 34a_100138425928_100009816938 [0,0,1,0,1,0|0,0,0]=2 3537 B15R2.19753 CC(C)NCc1cccc2n1ncc2 207a_100138425928_100000047034 [0,0,1,0,1,0|2,0,0]=4 3538 B15R2.19753 CC(C)NCc1cccn2c1ncc2 207a_100138425928_100000084367 [0,0,1,0,1,0|2,0,0]=4 3539 B15R2.19753 CC(C)OCc1cccc2c1scc2 34a_100000212225_100009816938 [0,0,1,0,1,0|1,0,0]=3 3540 B15R2.19753 CC(C)SCc1cccc2c1scc2 62a_100000210206_100009816938 [0,0,1,0,1,0|1,0,0]=3 3541 B15R2.19753 CC(O)CNc1cccc2c1scn2 34a_100000099145_100011218427 [0,0,1,0,1,0|2,0,0]=4 3542 B15R2.19753 CC(O)CNc1ccnc2c1scc2 27a_100000210904_100000764135 [0,0,1,0,1,0|2,0,0]=4 3543 B15R2.19753 CC(O)CNc1nccc2c1scc2 27a_100000210904_100000117209 [0,0,1,0,1,0|2,0,0]=4 3544 B15R2.19753 CC(O)CSc1cccc2c1scc2 62a_100011218427_100000766737 [0,0,1,0,1,0|2,0,0]=4 3545 B15R2.19753 C[C@@H](O)CNc1cccc2c1scn2 34a_100000099145_100009817552 [0,0,1,0,1,0|2,0,0]=4 3546 B15R2.19753 C[C@@H](O)CSc1cccc2c1scc2 62a_100009817552_100000766737 [0,0,1,0,1,0|2,0,0]=4 3547 B15R2.16631 C=C=Cc1cccc(c1)CNC2CC2 271570a_100015277604_100000745908 [0,0,1,0,1,0|1,0,1]=4 3548 B15R2.16631 CC=Cc1cccc(c1)CNC2CC2 271570a_100016259895_100000745908 [0,0,1,0,1,0|1,0,0]=3 3549 B15R2.16631 CC=Cc1cccc(c1)OCC2CC2 271570a_100016259895_100011316337 [0,0,1,0,1,0|2,0,0]=4 3550 B15R2.16631 CC=Cc1cccc(c1)SCC2CC2 271570a_100016259895_200010212085 [0,0,1,0,1,0|2,0,0]=4 3551 B15R2.10871 C=CCc1ccccc1NCC2CC2 2230a_200138433279_100000742324 [0,0,1,0,1,0|1,0,0]=3 3552 B15R2.10871 C=CCc1ccccc1NCC2CC2 34a_200138433279_100000742324 [0,0,1,0,1,0|1,0,0]=3 3553 B15R2.10871 C=CCc1ccccc1NCC2CO2 2230a_200138433279_100011216344 [0,0,1,0,1,0|2,0,0]=4 3554 B15R2.10871 C=CCc1ccccc1NCC2CO2 34a_200138433279_102125554688 [0,0,1,0,1,0|2,0,0]=4 3555 B15R2.10871 C=CCc1ccccc1OCC2CC2 34a_100000211836_100000742324 [0,0,1,0,1,0|2,0,0]=4 3556 B15R2.10871 C=CCc1ccccc1OCC2CC2 7a_100000211836_100000742324 [0,0,1,0,1,0|2,0,0]=4 3557 B15R2.10871 C=CCc1ccccc1SCC2CC2 62a_100000756562_100009828059 [0,0,1,0,1,0|2,0,0]=4 3558 B15R2.10871 C=CCc1ccccc1SCC2CC2 62a_100009828059_100000742324 [0,0,1,0,1,0|2,0,0]=4 3559 B15R2.10871 CCSc1ccccc1NCC2CC2 34a_100011223125_100000742324 [0,0,1,0,1,0|0,0,2]=4 3560 B15R3.3471 c1cc2scc(c2s1)SCC3CC3 62a_100000756562_100009817191 [0,0,0,0,2,0|2,0,0]=4 3561 B15R3.4382 C1=Cc2cccc(c2C1)SC3CC3 62a_100009844718_100000211595 [0,0,0,0,2,0|2,0,0]=4 3562 B15R3.4382 c1cc(c2ccsc2c1)NC3CC3 34a_100020628958_100000211595 [0,0,0,0,2,0|2,0,0]=4 3563 B15R3.4382 c1cc(c2ncoc2c1)NC3CC3 34a_100000717946_100000211595 [0,0,0,0,2,0|2,0,0]=4 3564 B15R3.4382 c1cc(c2sccc2n1)NC3CC3 27a_100000212008_100000764135 [0,0,0,0,2,0|1,0,0]=3 3565 B15R3.4382 c1cc(c2sccc2n1)OC3CC3 34a_100000759877_100000211595 [0,0,0,0,2,0|2,0,0]=4 3566 B15R3.4382 c1cc(c2scnc2c1)NC3CC3 34a_100000099145_100000211595 [0,0,0,0,2,0|1,0,0]=3 3567 B15R3.4382 c1cc2ccsc2c(n1)NC3CC3 27a_100000212008_100000117209 [0,0,0,0,2,0|1,0,0]=3 3568 B15R3.4382 c1nc(c2sccc2n1)NC3CC3 27a_100000212008_100000234879 [0,0,0,0,2,0|2,0,0]=4 3569 B17R2.148072 CCCCNCc1cccc2c1cccc2 207a_100000102301_100000210074 [0,0,1,0,0,1|1,0,0]=3 3570 B17R2.148072 CCCCNCc1cccc2c1cccc2 2230a_100000102301_100011261445 [0,0,1,0,0,1|1,0,0]=3 3571 B17R2.148072 CCCCNCc1cccc2c1cccc2 270004a_100000102301_100000210074 [0,0,1,0,0,1|1,0,0]=3 3572 B17R2.148072 CCCCNCc1cccc2c1cccc2 34a_100000753325_100000210210 [0,0,1,0,0,1|1,0,0]=3 3573 B17R2.148072 CCCCNCc1cccc2c1cccc2 7a_106832991798_100011261445 [0,0,1,0,0,1|1,0,0]=3 3574 B17R2.148072 CCCCNCc1cccc2c1cccn2 207a_100000102301_100000708479 [0,0,1,0,0,1|1,0,0]=3 3575 B17R2.148072 CCCCNCc1cccc2c1cccn2 270004a_100000102301_100000708479 [0,0,1,0,0,1|1,0,0]=3 3576 B17R2.148072 CCCCNCc1cccc2c1ccnc2 207a_100000102301_100000750165 [0,0,1,0,0,1|1,0,0]=3 3577 B17R2.148072 CCCCNCc1cccc2c1ccnc2 2230a_100000102301_100016989825 [0,0,1,0,0,1|1,0,0]=3 3578 B17R2.148072 CCCCNCc1cccc2c1ccnc2 270004a_100000102301_100000750165 [0,0,1,0,0,1|1,0,0]=3 3579 B17R2.148072 CCCCNCc1cccc2c1ccnc2 7a_106832991798_100016989825 [0,0,1,0,0,1|1,0,0]=3 3580 B17R2.148072 CCCCNCc1cccc2c1cncc2 207a_100000102301_100011934574 [0,0,1,0,0,1|1,0,0]=3 3581 B17R2.148072 CCCCNCc1cccc2c1cncc2 270004a_100000102301_100011934574 [0,0,1,0,0,1|1,0,0]=3 3582 B17R2.148072 CCCCNCc1cccc2c1nccc2 207a_100000102301_100000239888 [0,0,1,0,0,1|1,0,0]=3 3583 B17R2.148072 CCCCNCc1cccc2c1nccc2 2230a_100000102301_100000241032 [0,0,1,0,0,1|1,0,0]=3 3584 B17R2.148072 CCCCNCc1cccc2c1nccc2 270004a_100000102301_100000239888 [0,0,1,0,0,1|1,0,0]=3 3585 B17R2.148072 CCCCNCc1cccc2c1nccc2 7a_106832991798_100000241032 [0,0,1,0,0,1|1,0,0]=3 3586 B17R2.148072 CCCCNCc1cccc2c1nccn2 270004a_100000102301_100011996249 [0,0,1,0,0,1|1,0,0]=3 3587 B17R2.148072 CCCCNCc1ccnc2c1cccc2 2230a_100000102301_100015192512 [0,0,1,0,0,1|2,0,0]=4 3588 B17R2.148072 CCCCNCc1ccnc2c1cccc2 7a_106832991798_100015192512 [0,0,1,0,0,1|2,0,0]=4 3589 B17R2.148072 CCCCNCc1cncc2c1cccc2 207a_100000102301_100000684730 [0,0,1,0,0,1|2,0,0]=4 3590 B17R2.148072 CCCCNCc1cncc2c1cccc2 270004a_100000102301_100000684730 [0,0,1,0,0,1|2,0,0]=4 3591 B17R2.148072 CCCCNCc1nccc2c1cccc2 207a_100000102301_100011361464 [0,0,1,0,0,1|2,0,0]=4 3592 B17R2.148072 CCCCNCc1nccc2c1cccc2 2230a_100000102301_100000033776 [0,0,1,0,0,1|2,0,0]=4 3593 B17R2.148072 CCCCNCc1nccc2c1cccc2 270004a_100000102301_100011361464 [0,0,1,0,0,1|2,0,0]=4 3594 B17R2.148072 CCCCNCc1nccc2c1cccc2 7a_106832991798_100000033776 [0,0,1,0,0,1|2,0,0]=4 3595 B17R2.148072 CCCCOCc1cccc2c1cccc2 34a_100000210227_100011261445 [0,0,1,0,0,1|2,0,0]=4 3596 B17R2.148072 CCCCOCc1cccc2c1cccc2 34a_100011216843_100000210210 [0,0,1,0,0,1|2,0,0]=4 3597 B17R2.148072 CCCCOCc1cccc2c1cccc2 7a_100000210227_100011261445 [0,0,1,0,0,1|2,0,0]=4 3598 B17R2.148072 CCCCOCc1cccc2c1cccc2 7a_100011216843_100000210211 [0,0,1,0,0,1|2,0,0]=4 3599 B17R2.148072 CCCCOCc1cccc2c1cccn2 34a_100000709871_100000210210 [0,0,1,0,0,1|2,0,0]=4 3600 B17R2.148072 CCCCOCc1cccc2c1ccnc2 34a_100000210227_100016989825 [0,0,1,0,0,1|2,0,0]=4 3601 B17R2.148072 CCCCOCc1cccc2c1ccnc2 7a_100000210227_100016989825 [0,0,1,0,0,1|2,0,0]=4 3602 B17R2.148072 CCCCOCc1cccc2c1nccc2 34a_100000210227_100000241032 [0,0,1,0,0,1|2,0,0]=4 3603 B17R2.148072 CCCCOCc1cccc2c1nccc2 34a_100011303629_100000210210 [0,0,1,0,0,1|2,0,0]=4 3604 B17R2.148072 CCCCOCc1cccc2c1nccc2 7a_100000210227_100000241032 [0,0,1,0,0,1|2,0,0]=4 3605 B17R2.148072 CCCCSCc1cccc2c1cccc2 62a_100000210211_100000188474 [0,0,1,0,0,1|2,0,0]=4 3606 B17R2.148072 CCCCSCc1cccc2c1cccc2 62a_100011261445_100000210210 [0,0,1,0,0,1|2,0,0]=4 3607 B17R2.148072 CCCCSCc1cccc2c1ccnc2 62a_100000210211_100016989825 [0,0,1,0,0,1|2,0,0]=4 3608 B17R2.148072 CCCCSCc1cccc2c1ccnc2 62a_100016989825_100000210210 [0,0,1,0,0,1|2,0,0]=4 3609 B17R2.148072 CCCCSCc1cccc2c1nccc2 62a_100000210211_100000241032 [0,0,1,0,0,1|2,0,0]=4 3610 B17R2.148072 COCCNCc1cccc2c1cccc2 207a_100000209980_100000210074 [0,0,1,0,0,1|2,0,0]=4 3611 B17R2.148072 COCCNCc1cccc2c1cccc2 2230a_100000209980_100011261445 [0,0,1,0,0,1|2,0,0]=4 3612 B17R2.148072 COCCNCc1cccc2c1cccc2 270004a_100000209980_100000210074 [0,0,1,0,0,1|2,0,0]=4 3613 B17R2.148072 COCCNCc1cccc2c1cccc2 34a_100000753325_100011201679 [0,0,1,0,0,1|2,0,0]=4 3614 B17R2.148072 COCCNCc1cccc2c1cccn2 207a_100000209980_100000708479 [0,0,1,0,0,1|2,0,0]=4 3615 B17R2.148072 COCCNCc1cccc2c1cccn2 270004a_100000209980_100000708479 [0,0,1,0,0,1|2,0,0]=4 3616 B17R2.148072 COCCNCc1cccc2c1ccnc2 207a_100000209980_100000750165 [0,0,1,0,0,1|2,0,0]=4 3617 B17R2.148072 COCCNCc1cccc2c1ccnc2 2230a_100000209980_100016989825 [0,0,1,0,0,1|2,0,0]=4 3618 B17R2.148072 COCCNCc1cccc2c1ccnc2 270004a_100000209980_100000750165 [0,0,1,0,0,1|2,0,0]=4 3619 B17R2.148072 COCCNCc1cccc2c1cncc2 207a_100000209980_100011934574 [0,0,1,0,0,1|2,0,0]=4 3620 B17R2.148072 COCCNCc1cccc2c1cncc2 270004a_100000209980_100011934574 [0,0,1,0,0,1|2,0,0]=4 3621 B17R2.148072 COCCNCc1cccc2c1nccc2 207a_100000209980_100000239888 [0,0,1,0,0,1|2,0,0]=4 3622 B17R2.148072 COCCNCc1cccc2c1nccc2 2230a_100000209980_100000241032 [0,0,1,0,0,1|2,0,0]=4 3623 B17R2.148072 COCCNCc1cccc2c1nccc2 270004a_100000209980_100000239888 [0,0,1,0,0,1|2,0,0]=4 3624 B17R2.148072 COCCNCc1cccc2c1nccn2 270004a_100000209980_100011996249 [0,0,1,0,0,1|2,0,0]=4 3625 B17R2.148072 CSCCNCc1cccc2c1cccc2 207a_100020590264_100000210074 [0,0,1,0,0,1|2,0,0]=4 3626 B17R2.148072 CSCCNCc1cccc2c1cccc2 2230a_100020590264_100011261445 [0,0,1,0,0,1|2,0,0]=4 3627 B17R2.148072 CSCCNCc1cccc2c1cccc2 270004a_100020590264_100000210074 [0,0,1,0,0,1|2,0,0]=4 3628 B17R2.148072 CSCCNCc1cccc2c1cccc2 34a_100000753325_100000212216 [0,0,1,0,0,1|2,0,0]=4 3629 B17R2.148072 CSCCNCc1cccc2c1cccn2 207a_100020590264_100000708479 [0,0,1,0,0,1|2,0,0]=4 3630 B17R2.148072 CSCCNCc1cccc2c1cccn2 270004a_100020590264_100000708479 [0,0,1,0,0,1|2,0,0]=4 3631 B17R2.148072 CSCCNCc1cccc2c1ccnc2 207a_100020590264_100000750165 [0,0,1,0,0,1|2,0,0]=4 3632 B17R2.148072 CSCCNCc1cccc2c1ccnc2 2230a_100020590264_100016989825 [0,0,1,0,0,1|2,0,0]=4 3633 B17R2.148072 CSCCNCc1cccc2c1ccnc2 270004a_100020590264_100000750165 [0,0,1,0,0,1|2,0,0]=4 3634 B17R2.148072 CSCCNCc1cccc2c1cncc2 207a_100020590264_100011934574 [0,0,1,0,0,1|2,0,0]=4 3635 B17R2.148072 CSCCNCc1cccc2c1cncc2 270004a_100020590264_100011934574 [0,0,1,0,0,1|2,0,0]=4 3636 B17R2.148072 CSCCNCc1cccc2c1nccc2 207a_100020590264_100000239888 [0,0,1,0,0,1|2,0,0]=4 3637 B17R2.148072 CSCCNCc1cccc2c1nccc2 2230a_100020590264_100000241032 [0,0,1,0,0,1|2,0,0]=4 3638 B17R2.148072 CSCCNCc1cccc2c1nccc2 270004a_100020590264_100000239888 [0,0,1,0,0,1|2,0,0]=4 3639 B17R2.148072 CSCCNCc1cccc2c1nccn2 270004a_100020590264_100011996249 [0,0,1,0,0,1|2,0,0]=4 3640 B17R2.148072 FCCCNCc1cccc2c1cccc2 207a_100015189416_100000210074 [0,0,1,0,0,1|2,0,0]=4 3641 B17R2.148072 FCCCNCc1cccc2c1cccc2 2230a_100015189416_100011261445 [0,0,1,0,0,1|2,0,0]=4 3642 B17R2.148072 FCCCNCc1cccc2c1cccc2 270004a_100015189416_100000210074 [0,0,1,0,0,1|2,0,0]=4 3643 B17R2.148072 FCCCNCc1cccc2c1cccc2 34a_100000753325_100011934791 [0,0,1,0,0,1|2,0,0]=4 3644 B17R2.148072 FCCCNCc1cccc2c1cccc2 34a_100015189416_100011261445 [0,0,1,0,0,1|2,0,0]=4 3645 B17R2.148072 FCCCNCc1cccc2c1cccn2 207a_100015189416_100000708479 [0,0,1,0,0,1|2,0,0]=4 3646 B17R2.148072 FCCCNCc1cccc2c1cccn2 270004a_100015189416_100000708479 [0,0,1,0,0,1|2,0,0]=4 3647 B17R2.148072 FCCCNCc1cccc2c1ccnc2 207a_100015189416_100000750165 [0,0,1,0,0,1|2,0,0]=4 3648 B17R2.148072 FCCCNCc1cccc2c1ccnc2 2230a_100015189416_100016989825 [0,0,1,0,0,1|2,0,0]=4 3649 B17R2.148072 FCCCNCc1cccc2c1ccnc2 270004a_100015189416_100000750165 [0,0,1,0,0,1|2,0,0]=4 3650 B17R2.148072 FCCCNCc1cccc2c1ccnc2 34a_100015189416_100016989825 [0,0,1,0,0,1|2,0,0]=4 3651 B17R2.148072 FCCCNCc1cccc2c1cncc2 207a_100015189416_100011934574 [0,0,1,0,0,1|2,0,0]=4 3652 B17R2.148072 FCCCNCc1cccc2c1cncc2 270004a_100015189416_100011934574 [0,0,1,0,0,1|2,0,0]=4 3653 B17R2.148072 FCCCNCc1cccc2c1nccc2 207a_100015189416_100000239888 [0,0,1,0,0,1|2,0,0]=4 3654 B17R2.148072 FCCCNCc1cccc2c1nccc2 2230a_100015189416_100000241032 [0,0,1,0,0,1|2,0,0]=4 3655 B17R2.148072 FCCCNCc1cccc2c1nccc2 270004a_100015189416_100000239888 [0,0,1,0,0,1|2,0,0]=4 3656 B17R2.148072 FCCCNCc1cccc2c1nccc2 34a_100015189416_100000241032 [0,0,1,0,0,1|2,0,0]=4 3657 B17R2.148072 FCCCNCc1cccc2c1nccn2 270004a_100015189416_100011996249 [0,0,1,0,0,1|2,0,0]=4 3658 B17R2.148072 OCCCNCc1cccc2c1cccc2 207a_100000182051_100000210074 [0,0,1,0,0,1|2,0,0]=4 3659 B17R2.148072 OCCCNCc1cccc2c1cccc2 270004a_100000182051_100000210074 [0,0,1,0,0,1|2,0,0]=4 3660 B17R2.148072 OCCCNCc1cccc2c1cccc2 34a_100000753325_100000230001 [0,0,1,0,0,1|2,0,0]=4 3661 B17R2.148072 OCCCNCc1cccc2c1cccn2 207a_100000182051_100000708479 [0,0,1,0,0,1|2,0,0]=4 3662 B17R2.148072 OCCCNCc1cccc2c1cccn2 270004a_100000182051_100000708479 [0,0,1,0,0,1|2,0,0]=4 3663 B17R2.148072 OCCCNCc1cccc2c1ccnc2 207a_100000182051_100000750165 [0,0,1,0,0,1|2,0,0]=4 3664 B17R2.148072 OCCCNCc1cccc2c1ccnc2 270004a_100000182051_100000750165 [0,0,1,0,0,1|2,0,0]=4 3665 B17R2.148072 OCCCNCc1cccc2c1cncc2 207a_100000182051_100011934574 [0,0,1,0,0,1|2,0,0]=4 3666 B17R2.148072 OCCCNCc1cccc2c1cncc2 270004a_100000182051_100011934574 [0,0,1,0,0,1|2,0,0]=4 3667 B17R2.148072 OCCCNCc1cccc2c1nccc2 207a_100000182051_100000239888 [0,0,1,0,0,1|2,0,0]=4 3668 B17R2.148072 OCCCNCc1cccc2c1nccc2 270004a_100000182051_100000239888 [0,0,1,0,0,1|2,0,0]=4 3669 B17R2.148072 OCCCNCc1cccc2c1nccn2 270004a_100000182051_100011996249 [0,0,1,0,0,1|2,0,0]=4 3670 B17R2.291558 CC(C)CNCc1cccc2c1CC=CC2 26a_100000210953_100000074931 [0,0,1,0,0,1|1,0,0]=3 3671 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 207a_100000210953_100000210074 [0,0,1,0,0,1|1,0,0]=3 3672 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 2230a_100000210953_100011261445 [0,0,1,0,0,1|1,0,0]=3 3673 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 270004a_100000210953_100000210074 [0,0,1,0,0,1|1,0,0]=3 3674 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 270004a_100000753325_100000210432 [0,0,1,0,0,1|1,0,0]=3 3675 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 34a_100000210953_100011261445 [0,0,1,0,0,1|1,0,0]=3 3676 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 34a_100000753325_100000210624 [0,0,1,0,0,1|1,0,0]=3 3677 B17R2.291558 CC(C)CNCc1cccc2c1cccn2 207a_100000210953_100000708479 [0,0,1,0,0,1|1,0,0]=3 3678 B17R2.291558 CC(C)CNCc1cccc2c1cccn2 270004a_100000210953_100000708479 [0,0,1,0,0,1|1,0,0]=3 3679 B17R2.291558 CC(C)CNCc1cccc2c1cccn2 270004a_100020628785_100000210432 [0,0,1,0,0,1|1,0,0]=3 3680 B17R2.291558 CC(C)CNCc1cccc2c1ccnc2 207a_100000210953_100000750165 [0,0,1,0,0,1|1,0,0]=3 3681 B17R2.291558 CC(C)CNCc1cccc2c1ccnc2 2230a_100000210953_100016989825 [0,0,1,0,0,1|1,0,0]=3 3682 B17R2.291558 CC(C)CNCc1cccc2c1ccnc2 270004a_100000210953_100000750165 [0,0,1,0,0,1|1,0,0]=3 3683 B17R2.291558 CC(C)CNCc1cccc2c1ccnc2 270004a_100011757365_100000210432 [0,0,1,0,0,1|1,0,0]=3 3684 B17R2.291558 CC(C)CNCc1cccc2c1ccnc2 34a_100000210953_100016989825 [0,0,1,0,0,1|1,0,0]=3 3685 B17R2.291558 CC(C)CNCc1cccc2c1cncc2 207a_100000210953_100011934574 [0,0,1,0,0,1|1,0,0]=3 3686 B17R2.291558 CC(C)CNCc1cccc2c1cncc2 270004a_100000210953_100011934574 [0,0,1,0,0,1|1,0,0]=3 3687 B17R2.291558 CC(C)CNCc1cccc2c1nccc2 207a_100000210953_100000239888 [0,0,1,0,0,1|1,0,0]=3 3688 B17R2.291558 CC(C)CNCc1cccc2c1nccc2 2230a_100000210953_100000241032 [0,0,1,0,0,1|1,0,0]=3 3689 B17R2.291558 CC(C)CNCc1cccc2c1nccc2 270004a_100000210953_100000239888 [0,0,1,0,0,1|1,0,0]=3 3690 B17R2.291558 CC(C)CNCc1cccc2c1nccc2 270004a_100011195829_100000210432 [0,0,1,0,0,1|1,0,0]=3 3691 B17R2.291558 CC(C)CNCc1cccc2c1nccc2 34a_100000210953_100000241032 [0,0,1,0,0,1|1,0,0]=3 3692 B17R2.291558 CC(C)CNCc1cccc2c1nccn2 270004a_100000210953_100011996249 [0,0,1,0,0,1|1,0,0]=3 3693 B17R2.291558 CC(C)CNCc1cccc2c1nccn2 270004a_100012184304_100000210432 [0,0,1,0,0,1|1,0,0]=3 3694 B17R2.291558 CC(C)CNCc1ccnc2c1cccc2 2230a_100000210953_100015192512 [0,0,1,0,0,1|2,0,0]=4 3695 B17R2.291558 CC(C)CNCc1ccnc2c1cccc2 270004a_100015187208_100000210432 [0,0,1,0,0,1|2,0,0]=4 3696 B17R2.291558 CC(C)CNCc1ccnc2c1cccc2 34a_100000210953_100015192512 [0,0,1,0,0,1|2,0,0]=4 3697 B17R2.291558 CC(C)CNCc1cncc2c1cccc2 207a_100000210953_100000684730 [0,0,1,0,0,1|2,0,0]=4 3698 B17R2.291558 CC(C)CNCc1cncc2c1cccc2 270004a_100000210953_100000684730 [0,0,1,0,0,1|2,0,0]=4 3699 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 207a_100000210953_100011361464 [0,0,1,0,0,1|2,0,0]=4 3700 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 2230a_100000210953_100000033776 [0,0,1,0,0,1|2,0,0]=4 3701 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 270004a_100000210953_100011361464 [0,0,1,0,0,1|2,0,0]=4 3702 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 270004a_100000735229_100000210432 [0,0,1,0,0,1|2,0,0]=4 3703 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 34a_100000210953_100000033776 [0,0,1,0,0,1|2,0,0]=4 3704 B17R2.291558 CC(C)COCc1cccc2c1cccc2 34a_100000210257_100011261445 [0,0,1,0,0,1|2,0,0]=4 3705 B17R2.291558 CC(C)COCc1cccc2c1cccc2 34a_100011216843_100000210624 [0,0,1,0,0,1|2,0,0]=4 3706 B17R2.291558 CC(C)COCc1cccc2c1cccc2 7a_100011216843_100000210760 [0,0,1,0,0,1|2,0,0]=4 3707 B17R2.291558 CC(C)COCc1cccc2c1cccn2 34a_100000709871_100000210624 [0,0,1,0,0,1|2,0,0]=4 3708 B17R2.291558 CC(C)COCc1cccc2c1ccnc2 34a_100000210257_100016989825 [0,0,1,0,0,1|2,0,0]=4 3709 B17R2.291558 CC(C)COCc1cccc2c1nccc2 34a_100000210257_100000241032 [0,0,1,0,0,1|2,0,0]=4 3710 B17R2.291558 CC(C)COCc1cccc2c1nccc2 34a_100011303629_100000210624 [0,0,1,0,0,1|2,0,0]=4 3711 B17R2.291558 CC(C)CSCc1cccc2c1cccc2 62a_100000210624_100000188474 [0,0,1,0,0,1|2,0,0]=4 3712 B17R2.291558 CC(C)CSCc1cccc2c1cccc2 62a_100011261445_100000210760 [0,0,1,0,0,1|2,0,0]=4 3713 B17R2.291558 CC(C)CSCc1cccc2c1ccnc2 62a_100000210624_100016989825 [0,0,1,0,0,1|2,0,0]=4 3714 B17R2.291558 CC(C)CSCc1cccc2c1ccnc2 62a_100016989825_100000210760 [0,0,1,0,0,1|2,0,0]=4 3715 B17R2.291558 CC(C)CSCc1cccc2c1nccc2 62a_100000210624_100000241032 [0,0,1,0,0,1|2,0,0]=4 3716 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 207a_100000210904_100000210074 [0,0,1,0,0,1|2,0,0]=4 3717 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 2230a_100000210904_100011261445 [0,0,1,0,0,1|2,0,0]=4 3718 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 270004a_100000210904_100000210074 [0,0,1,0,0,1|2,0,0]=4 3719 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 34a_100000210904_100011261445 [0,0,1,0,0,1|2,0,0]=4 3720 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 34a_100000753325_100011218427 [0,0,1,0,0,1|2,0,0]=4 3721 B17R2.291558 CC(O)CNCc1cccc2c1cccn2 207a_100000210904_100000708479 [0,0,1,0,0,1|2,0,0]=4 3722 B17R2.291558 CC(O)CNCc1cccc2c1cccn2 270004a_100000210904_100000708479 [0,0,1,0,0,1|2,0,0]=4 3723 B17R2.291558 CC(O)CNCc1cccc2c1ccnc2 207a_100000210904_100000750165 [0,0,1,0,0,1|2,0,0]=4 3724 B17R2.291558 CC(O)CNCc1cccc2c1ccnc2 2230a_100000210904_100016989825 [0,0,1,0,0,1|2,0,0]=4 3725 B17R2.291558 CC(O)CNCc1cccc2c1ccnc2 270004a_100000210904_100000750165 [0,0,1,0,0,1|2,0,0]=4 3726 B17R2.291558 CC(O)CNCc1cccc2c1ccnc2 34a_100000210904_100016989825 [0,0,1,0,0,1|2,0,0]=4 3727 B17R2.291558 CC(O)CNCc1cccc2c1cncc2 207a_100000210904_100011934574 [0,0,1,0,0,1|2,0,0]=4 3728 B17R2.291558 CC(O)CNCc1cccc2c1cncc2 270004a_100000210904_100011934574 [0,0,1,0,0,1|2,0,0]=4 3729 B17R2.291558 CC(O)CNCc1cccc2c1nccc2 207a_100000210904_100000239888 [0,0,1,0,0,1|2,0,0]=4 3730 B17R2.291558 CC(O)CNCc1cccc2c1nccc2 2230a_100000210904_100000241032 [0,0,1,0,0,1|2,0,0]=4 3731 B17R2.291558 CC(O)CNCc1cccc2c1nccc2 270004a_100000210904_100000239888 [0,0,1,0,0,1|2,0,0]=4 3732 B17R2.291558 CC(O)CNCc1cccc2c1nccc2 34a_100000210904_100000241032 [0,0,1,0,0,1|2,0,0]=4 3733 B17R2.291558 CC(O)CNCc1cccc2c1nccn2 270004a_100000210904_100011996249 [0,0,1,0,0,1|2,0,0]=4 3734 B17R2.291558 C[C@@H](O)CNCc1cccc2c1cccc2 34a_100000753325_100009817552 [0,0,1,0,0,1|2,0,0]=4 3735 B17R2.28753 C=CCc1ccccc1CNCC2CCC2 207a_100000738700_100010619294 [0,0,1,0,0,1|1,0,0]=3 3736 B17R2.28753 C=CCc1ccccc1CNCC2CCC2 270004a_100000738700_100010619294 [0,0,1,0,0,1|1,0,0]=3 3737 B17R2.28753 C=CCc1ccccc1CNCC2COC2 207a_100015281925_100010619294 [0,0,1,0,0,1|1,0,0]=3 3738 B17R2.28753 C=CCc1ccccc1CNCC2COC2 270004a_100015281925_100010619294 [0,0,1,0,0,1|1,0,0]=3 3739 B17R2.28753 C=CCc1ccccc1CNC[C@@H]2CCO2 207a_100020831831_100010619294 [0,0,1,0,0,1|1,0,0]=3 3740 B17R2.28753 C=CCc1ccccc1CNC[C@@H]2CCO2 270004a_100020831831_100010619294 [0,0,1,0,0,1|1,0,0]=3 3741 B17R2.47046 C=CCc1ccccc1C=NNCC2CC2 4a_100000736359_100010619294 [0,0,1,0,0,1|1,0,1]=4 3742 B17R2.47046 C=CCc1ccccc1CNCCC2CC2 207a_100000764129_100010619294 [0,0,1,0,0,1|1,0,0]=3 3743 B17R2.47046 C=CCc1ccccc1CNCCC2CC2 270004a_100000764129_100010619294 [0,0,1,0,0,1|1,0,0]=3 3744 B19R3.22022 c1cc(c2cccnc2c1)CNCC3CCC3 207a_100000738700_100000708479 [0,0,0,0,0,2|1,0,0]=3 3745 B19R3.22022 c1cc(c2cccnc2c1)CNCC3CCC3 269862a_100020628785_100000753134 [0,0,0,0,0,2|1,0,0]=3 3746 B19R3.22022 c1cc(c2cccnc2c1)CNCC3CCC3 270004a_100000738700_100000708479 [0,0,0,0,0,2|1,0,0]=3 3747 B19R3.22022 c1cc(c2cccnc2c1)CNCC3COC3 207a_100015281925_100000708479 [0,0,0,0,0,2|1,0,0]=3 3748 B19R3.22022 c1cc(c2cccnc2c1)CNCC3COC3 270004a_100015281925_100000708479 [0,0,0,0,0,2|1,0,0]=3 3749 B19R3.22022 c1cc(c2cccnc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000708479 [0,0,0,0,0,2|1,0,0]=3 3750 B19R3.22022 c1cc(c2cccnc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000708479 [0,0,0,0,0,2|1,0,0]=3 3751 B19R3.22022 c1cc(c2cccnc2c1)COCC3CCC3 34a_100000709871_100000763275 [0,0,0,0,0,2|2,0,0]=4 3752 B19R3.22022 c1cc(c2cccnc2c1)COCC3CCO3 34a_100000709871_100000103362 [0,0,0,0,0,2|2,0,0]=4 3753 B19R3.22022 c1cc(c2cccnc2c1)COCC3COC3 34a_100000709871_100010264016 [0,0,0,0,0,2|2,0,0]=4 3754 B19R3.22022 c1cc(c2ccncc2c1)CNCC3CCC3 207a_100000738700_100000750165 [0,0,0,0,0,2|1,0,0]=3 3755 B19R3.22022 c1cc(c2ccncc2c1)CNCC3CCC3 2230a_100000738700_100016989825 [0,0,0,0,0,2|1,0,0]=3 3756 B19R3.22022 c1cc(c2ccncc2c1)CNCC3CCC3 269862a_100011757365_100000753134 [0,0,0,0,0,2|1,0,0]=3 3757 B19R3.22022 c1cc(c2ccncc2c1)CNCC3CCC3 270004a_100000738700_100000750165 [0,0,0,0,0,2|1,0,0]=3 3758 B19R3.22022 c1cc(c2ccncc2c1)CNCC3CCC3 34a_100000738700_100016989825 [0,0,0,0,0,2|1,0,0]=3 3759 B19R3.22022 c1cc(c2ccncc2c1)CNCC3COC3 207a_100015281925_100000750165 [0,0,0,0,0,2|1,0,0]=3 3760 B19R3.22022 c1cc(c2ccncc2c1)CNCC3COC3 2230a_100015281925_100016989825 [0,0,0,0,0,2|1,0,0]=3 3761 B19R3.22022 c1cc(c2ccncc2c1)CNCC3COC3 270004a_100015281925_100000750165 [0,0,0,0,0,2|1,0,0]=3 3762 B19R3.22022 c1cc(c2ccncc2c1)CNCC3COC3 34a_100015281925_100016989825 [0,0,0,0,0,2|1,0,0]=3 3763 B19R3.22022 c1cc(c2ccncc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000750165 [0,0,0,0,0,2|1,0,0]=3 3764 B19R3.22022 c1cc(c2ccncc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100016989825 [0,0,0,0,0,2|1,0,0]=3 3765 B19R3.22022 c1cc(c2ccncc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000750165 [0,0,0,0,0,2|1,0,0]=3 3766 B19R3.22022 c1cc(c2ccncc2c1)CNC[C@@H]3CCO3 34a_100020831831_100016989825 [0,0,0,0,0,2|1,0,0]=3 3767 B19R3.22022 c1cc(c2ccncc2c1)COCC3CCC3 34a_100000760304_100016989825 [0,0,0,0,0,2|2,0,0]=4 3768 B19R3.22022 c1cc(c2ccncc2c1)COCC3CCO3 34a_100000039022_100016989825 [0,0,0,0,0,2|2,0,0]=4 3769 B19R3.22022 c1cc(c2ccncc2c1)COCC3CNC3 34a_100016987283_100016989825 [0,0,0,0,0,2|2,0,0]=4 3770 B19R3.22022 c1cc(c2ccncc2c1)COCC3COC3 34a_100000060846_100016989825 [0,0,0,0,0,2|2,0,0]=4 3771 B19R3.22022 c1cc(c2ccncc2c1)CSCC3CCC3 62a_100000763275_100016989825 [0,0,0,0,0,2|2,0,0]=4 3772 B19R3.22022 c1cc(c2ccncc2c1)CSCC3CCC3 62a_100016989825_100000763275 [0,0,0,0,0,2|2,0,0]=4 3773 B19R3.22022 c1cc(c2ccncc2c1)CSCC3CCO3 62a_100000103362_100016989825 [0,0,0,0,0,2|2,0,0]=4 3774 B19R3.22022 c1cc(c2ccncc2c1)CSCC3CCO3 62a_100016989825_100000103362 [0,0,0,0,0,2|2,0,0]=4 3775 B19R3.22022 c1cc(c2ccncc2c1)CSCC3COC3 62a_100010264016_100016989825 [0,0,0,0,0,2|2,0,0]=4 3776 B19R3.22022 c1cc(c2ccncc2c1)CSCC3COC3 62a_100016989825_100010264016 [0,0,0,0,0,2|2,0,0]=4 3777 B19R3.22022 c1cc(c2cnccc2c1)CNCC3CCC3 207a_100000738700_100011934574 [0,0,0,0,0,2|1,0,0]=3 3778 B19R3.22022 c1cc(c2cnccc2c1)CNCC3CCC3 270004a_100000738700_100011934574 [0,0,0,0,0,2|1,0,0]=3 3779 B19R3.22022 c1cc(c2cnccc2c1)CNCC3COC3 207a_100015281925_100011934574 [0,0,0,0,0,2|1,0,0]=3 3780 B19R3.22022 c1cc(c2cnccc2c1)CNCC3COC3 270004a_100015281925_100011934574 [0,0,0,0,0,2|1,0,0]=3 3781 B19R3.22022 c1cc(c2cnccc2c1)CNC[C@@H]3CCO3 207a_100020831831_100011934574 [0,0,0,0,0,2|1,0,0]=3 3782 B19R3.22022 c1cc(c2cnccc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100011934574 [0,0,0,0,0,2|1,0,0]=3 3783 B19R3.22022 c1cc(c2nccnc2c1)CNCC3CCC3 269862a_100012184304_100000753134 [0,0,0,0,0,2|1,0,0]=3 3784 B19R3.22022 c1cc(c2nccnc2c1)CNCC3CCC3 270004a_100000738700_100011996249 [0,0,0,0,0,2|1,0,0]=3 3785 B19R3.22022 c1cc(c2nccnc2c1)CNCC3COC3 270004a_100015281925_100011996249 [0,0,0,0,0,2|1,0,0]=3 3786 B19R3.22022 c1cc(c2nccnc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100011996249 [0,0,0,0,0,2|1,0,0]=3 3787 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCC3 207a_100000738700_100000210074 [0,0,0,0,0,2|1,0,0]=3 3788 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCC3 2230a_100000738700_100011261445 [0,0,0,0,0,2|1,0,0]=3 3789 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCC3 269862a_100000753325_100000753134 [0,0,0,0,0,2|1,0,0]=3 3790 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCC3 270004a_100000738700_100000210074 [0,0,0,0,0,2|1,0,0]=3 3791 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCC3 34a_100000738700_100011261445 [0,0,0,0,0,2|1,0,0]=3 3792 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCC3 34a_100000753325_100000763275 [0,0,0,0,0,2|1,0,0]=3 3793 B19R3.22022 c1ccc2c(cccc2c1)CNCC3CCO3 34a_100000753325_100000103362 [0,0,0,0,0,2|1,0,0]=3 3794 B19R3.22022 c1ccc2c(cccc2c1)CNCC3COC3 207a_100015281925_100000210074 [0,0,0,0,0,2|1,0,0]=3 3795 B19R3.22022 c1ccc2c(cccc2c1)CNCC3COC3 2230a_100015281925_100011261445 [0,0,0,0,0,2|1,0,0]=3 3796 B19R3.22022 c1ccc2c(cccc2c1)CNCC3COC3 270004a_100015281925_100000210074 [0,0,0,0,0,2|1,0,0]=3 3797 B19R3.22022 c1ccc2c(cccc2c1)CNCC3COC3 34a_100000753325_100010264016 [0,0,0,0,0,2|1,0,0]=3 3798 B19R3.22022 c1ccc2c(cccc2c1)CNCC3COC3 34a_100015281925_100011261445 [0,0,0,0,0,2|1,0,0]=3 3799 B19R3.22022 c1ccc2c(cccc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000210074 [0,0,0,0,0,2|1,0,0]=3 3800 B19R3.22022 c1ccc2c(cccc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100011261445 [0,0,0,0,0,2|1,0,0]=3 3801 B19R3.22022 c1ccc2c(cccc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000210074 [0,0,0,0,0,2|1,0,0]=3 3802 B19R3.22022 c1ccc2c(cccc2c1)CNC[C@@H]3CCO3 34a_100020831831_100011261445 [0,0,0,0,0,2|1,0,0]=3 3803 B19R3.22022 c1ccc2c(cccc2c1)COCC3CCC3 34a_100000760304_100011261445 [0,0,0,0,0,2|2,0,0]=4 3804 B19R3.22022 c1ccc2c(cccc2c1)COCC3CCC3 34a_100011216843_100000763275 [0,0,0,0,0,2|2,0,0]=4 3805 B19R3.22022 c1ccc2c(cccc2c1)COCC3CCC3 7a_100011216843_100000763275 [0,0,0,0,0,2|2,0,0]=4 3806 B19R3.22022 c1ccc2c(cccc2c1)COCC3CCO3 34a_100000039022_100011261445 [0,0,0,0,0,2|2,0,0]=4 3807 B19R3.22022 c1ccc2c(cccc2c1)COCC3CCO3 34a_100011216843_100000103362 [0,0,0,0,0,2|2,0,0]=4 3808 B19R3.22022 c1ccc2c(cccc2c1)COCC3CCO3 7a_100011216843_100000103362 [0,0,0,0,0,2|2,0,0]=4 3809 B19R3.22022 c1ccc2c(cccc2c1)COCC3CNC3 34a_100016987283_100011261445 [0,0,0,0,0,2|2,0,0]=4 3810 B19R3.22022 c1ccc2c(cccc2c1)COCC3COC3 34a_100000060846_100011261445 [0,0,0,0,0,2|2,0,0]=4 3811 B19R3.22022 c1ccc2c(cccc2c1)COCC3COC3 34a_100011216843_100010264016 [0,0,0,0,0,2|2,0,0]=4 3812 B19R3.22022 c1ccc2c(cccc2c1)COCC3COC3 7a_100011216843_100010264016 [0,0,0,0,0,2|2,0,0]=4 3813 B19R3.22022 c1ccc2c(cccc2c1)CSCC3CCC3 62a_100000763275_100000188474 [0,0,0,0,0,2|2,0,0]=4 3814 B19R3.22022 c1ccc2c(cccc2c1)CSCC3CCC3 62a_100011261445_100000763275 [0,0,0,0,0,2|2,0,0]=4 3815 B19R3.22022 c1ccc2c(cccc2c1)CSCC3CCO3 62a_100000103362_100000188474 [0,0,0,0,0,2|2,0,0]=4 3816 B19R3.22022 c1ccc2c(cccc2c1)CSCC3CCO3 62a_100011261445_100000103362 [0,0,0,0,0,2|2,0,0]=4 3817 B19R3.22022 c1ccc2c(cccc2c1)CSCC3COC3 62a_100010264016_100000188474 [0,0,0,0,0,2|2,0,0]=4 3818 B19R3.22022 c1ccc2c(cccc2c1)CSCC3COC3 62a_100011261445_100010264016 [0,0,0,0,0,2|2,0,0]=4 3819 B19R3.22022 c1ccc2c(ccnc2c1)CNCC3CCC3 2230a_100000738700_100015192512 [0,0,0,0,0,2|2,0,0]=4 3820 B19R3.22022 c1ccc2c(ccnc2c1)CNCC3CCC3 269862a_100015187208_100000753134 [0,0,0,0,0,2|2,0,0]=4 3821 B19R3.22022 c1ccc2c(ccnc2c1)CNCC3CCC3 34a_100000738700_100015192512 [0,0,0,0,0,2|2,0,0]=4 3822 B19R3.22022 c1ccc2c(ccnc2c1)CNCC3COC3 2230a_100015281925_100015192512 [0,0,0,0,0,2|2,0,0]=4 3823 B19R3.22022 c1ccc2c(ccnc2c1)CNCC3COC3 34a_100015281925_100015192512 [0,0,0,0,0,2|2,0,0]=4 3824 B19R3.22022 c1ccc2c(ccnc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100015192512 [0,0,0,0,0,2|2,0,0]=4 3825 B19R3.22022 c1ccc2c(ccnc2c1)CNC[C@@H]3CCO3 34a_100020831831_100015192512 [0,0,0,0,0,2|2,0,0]=4 3826 B19R3.22022 c1ccc2c(cncc2c1)CNCC3CCC3 207a_100000738700_100000684730 [0,0,0,0,0,2|2,0,0]=4 3827 B19R3.22022 c1ccc2c(cncc2c1)CNCC3CCC3 270004a_100000738700_100000684730 [0,0,0,0,0,2|2,0,0]=4 3828 B19R3.22022 c1ccc2c(cncc2c1)CNCC3COC3 207a_100015281925_100000684730 [0,0,0,0,0,2|2,0,0]=4 3829 B19R3.22022 c1ccc2c(cncc2c1)CNCC3COC3 270004a_100015281925_100000684730 [0,0,0,0,0,2|2,0,0]=4 3830 B19R3.22022 c1ccc2c(cncc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000684730 [0,0,0,0,0,2|2,0,0]=4 3831 B19R3.22022 c1ccc2c(cncc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000684730 [0,0,0,0,0,2|2,0,0]=4 3832 B19R3.22022 c1ccc2c(nccc2c1)CNCC3CCC3 207a_100000738700_100011361464 [0,0,0,0,0,2|2,0,0]=4 3833 B19R3.22022 c1ccc2c(nccc2c1)CNCC3CCC3 2230a_100000738700_100000033776 [0,0,0,0,0,2|2,0,0]=4 3834 B19R3.22022 c1ccc2c(nccc2c1)CNCC3CCC3 270004a_100000738700_100011361464 [0,0,0,0,0,2|2,0,0]=4 3835 B19R3.22022 c1ccc2c(nccc2c1)CNCC3CCC3 34a_100000738700_100000033776 [0,0,0,0,0,2|2,0,0]=4 3836 B19R3.22022 c1ccc2c(nccc2c1)CNCC3COC3 207a_100015281925_100011361464 [0,0,0,0,0,2|2,0,0]=4 3837 B19R3.22022 c1ccc2c(nccc2c1)CNCC3COC3 2230a_100015281925_100000033776 [0,0,0,0,0,2|2,0,0]=4 3838 B19R3.22022 c1ccc2c(nccc2c1)CNCC3COC3 270004a_100015281925_100011361464 [0,0,0,0,0,2|2,0,0]=4 3839 B19R3.22022 c1ccc2c(nccc2c1)CNCC3COC3 34a_100015281925_100000033776 [0,0,0,0,0,2|2,0,0]=4 3840 B19R3.22022 c1ccc2c(nccc2c1)CNC[C@@H]3CCO3 207a_100020831831_100011361464 [0,0,0,0,0,2|2,0,0]=4 3841 B19R3.22022 c1ccc2c(nccc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100000033776 [0,0,0,0,0,2|2,0,0]=4 3842 B19R3.22022 c1ccc2c(nccc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100011361464 [0,0,0,0,0,2|2,0,0]=4 3843 B19R3.22022 c1ccc2c(nccc2c1)CNC[C@@H]3CCO3 34a_100020831831_100000033776 [0,0,0,0,0,2|2,0,0]=4 3844 B19R3.22022 c1cnc2c(cccc2c1)CNCC3CCC3 207a_100000738700_100000239888 [0,0,0,0,0,2|1,0,0]=3 3845 B19R3.22022 c1cnc2c(cccc2c1)CNCC3CCC3 2230a_100000738700_100000241032 [0,0,0,0,0,2|1,0,0]=3 3846 B19R3.22022 c1cnc2c(cccc2c1)CNCC3CCC3 269862a_100011195829_100000753134 [0,0,0,0,0,2|1,0,0]=3 3847 B19R3.22022 c1cnc2c(cccc2c1)CNCC3CCC3 270004a_100000738700_100000239888 [0,0,0,0,0,2|1,0,0]=3 3848 B19R3.22022 c1cnc2c(cccc2c1)CNCC3CCC3 34a_100000738700_100000241032 [0,0,0,0,0,2|1,0,0]=3 3849 B19R3.22022 c1cnc2c(cccc2c1)CNCC3COC3 207a_100015281925_100000239888 [0,0,0,0,0,2|1,0,0]=3 3850 B19R3.22022 c1cnc2c(cccc2c1)CNCC3COC3 2230a_100015281925_100000241032 [0,0,0,0,0,2|1,0,0]=3 3851 B19R3.22022 c1cnc2c(cccc2c1)CNCC3COC3 270004a_100015281925_100000239888 [0,0,0,0,0,2|1,0,0]=3 3852 B19R3.22022 c1cnc2c(cccc2c1)CNCC3COC3 34a_100015281925_100000241032 [0,0,0,0,0,2|1,0,0]=3 3853 B19R3.22022 c1cnc2c(cccc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000239888 [0,0,0,0,0,2|1,0,0]=3 3854 B19R3.22022 c1cnc2c(cccc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100000241032 [0,0,0,0,0,2|1,0,0]=3 3855 B19R3.22022 c1cnc2c(cccc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000239888 [0,0,0,0,0,2|1,0,0]=3 3856 B19R3.22022 c1cnc2c(cccc2c1)CNC[C@@H]3CCO3 34a_100020831831_100000241032 [0,0,0,0,0,2|1,0,0]=3 3857 B19R3.22022 c1cnc2c(cccc2c1)COCC3CCC3 34a_100000760304_100000241032 [0,0,0,0,0,2|2,0,0]=4 3858 B19R3.22022 c1cnc2c(cccc2c1)COCC3CCC3 34a_100011303629_100000763275 [0,0,0,0,0,2|2,0,0]=4 3859 B19R3.22022 c1cnc2c(cccc2c1)COCC3CCO3 34a_100000039022_100000241032 [0,0,0,0,0,2|2,0,0]=4 3860 B19R3.22022 c1cnc2c(cccc2c1)COCC3CCO3 34a_100011303629_100000103362 [0,0,0,0,0,2|2,0,0]=4 3861 B19R3.22022 c1cnc2c(cccc2c1)COCC3CNC3 34a_100016987283_100000241032 [0,0,0,0,0,2|2,0,0]=4 3862 B19R3.22022 c1cnc2c(cccc2c1)COCC3COC3 34a_100000060846_100000241032 [0,0,0,0,0,2|2,0,0]=4 3863 B19R3.22022 c1cnc2c(cccc2c1)COCC3COC3 34a_100011303629_100010264016 [0,0,0,0,0,2|2,0,0]=4 3864 B19R3.22022 c1cnc2c(cccc2c1)CSCC3CCC3 62a_100000763275_100000241032 [0,0,0,0,0,2|2,0,0]=4 3865 B19R3.22022 c1cnc2c(cccc2c1)CSCC3CCO3 62a_100000103362_100000241032 [0,0,0,0,0,2|2,0,0]=4 3866 B19R3.22022 c1cnc2c(cccc2c1)CSCC3COC3 62a_100010264016_100000241032 [0,0,0,0,0,2|2,0,0]=4 3867 B19R3.22023 C(=NNCC1CC1)c2cccc3c2cccc3 4a_100000736359_100000210074 [0,0,0,0,0,2|1,0,1]=4 3868 B19R3.22023 C(=NNCC1CC1)c2cccc3c2cccn3 4a_100000736359_100000708479 [0,0,0,0,0,2|1,0,1]=4 3869 B19R3.22023 C(=NNCC1CC1)c2cccc3c2ccnc3 4a_100000736359_100000750165 [0,0,0,0,0,2|1,0,1]=4 3870 B19R3.22023 C(=NNCC1CC1)c2cccc3c2cncc3 4a_100000736359_100011934574 [0,0,0,0,0,2|1,0,1]=4 3871 B19R3.22023 C(=NNCC1CC1)c2cccc3c2nccc3 4a_100000736359_100000239888 [0,0,0,0,0,2|1,0,1]=4 3872 B19R3.22023 C(=NNCC1CC1)c2cccc3c2nccn3 4a_100000736359_100011996249 [0,0,0,0,0,2|1,0,1]=4 3873 B19R3.22023 C(=NNCc1cccc2c1cccc2)C3CC3 4a_100025742020_100000741477 [0,0,0,0,0,2|1,0,1]=4 3874 B19R3.22023 c1cc(c2cccnc2c1)CNCCC3CC3 207a_100000764129_100000708479 [0,0,0,0,0,2|1,0,0]=3 3875 B19R3.22023 c1cc(c2cccnc2c1)CNCCC3CC3 270004a_100000764129_100000708479 [0,0,0,0,0,2|1,0,0]=3 3876 B19R3.22023 c1cc(c2cccnc2c1)COCCC3CC3 34a_100000709871_100000694398 [0,0,0,0,0,2|2,0,0]=4 3877 B19R3.22023 c1cc(c2ccncc2c1)CNCCC3CC3 207a_100000764129_100000750165 [0,0,0,0,0,2|1,0,0]=3 3878 B19R3.22023 c1cc(c2ccncc2c1)CNCCC3CC3 270004a_100000764129_100000750165 [0,0,0,0,0,2|1,0,0]=3 3879 B19R3.22023 c1cc(c2ccncc2c1)CNCCC3CC3 34a_100000764129_100016989825 [0,0,0,0,0,2|1,0,0]=3 3880 B19R3.22023 c1cc(c2ccncc2c1)COCCC3CC3 34a_100000754188_100016989825 [0,0,0,0,0,2|2,0,0]=4 3881 B19R3.22023 c1cc(c2ccncc2c1)COCCC3CC3 7a_100000754188_100016989825 [0,0,0,0,0,2|2,0,0]=4 3882 B19R3.22023 c1cc(c2ccncc2c1)CSCCC3CC3 62a_100000764125_100016989825 [0,0,0,0,0,2|2,0,0]=4 3883 B19R3.22023 c1cc(c2ccncc2c1)CSCCC3CC3 62a_100016989825_100000764125 [0,0,0,0,0,2|2,0,0]=4 3884 B19R3.22023 c1cc(c2cnccc2c1)CNCCC3CC3 207a_100000764129_100011934574 [0,0,0,0,0,2|1,0,0]=3 3885 B19R3.22023 c1cc(c2cnccc2c1)CNCCC3CC3 270004a_100000764129_100011934574 [0,0,0,0,0,2|1,0,0]=3 3886 B19R3.22023 c1cc(c2nccnc2c1)CNCCC3CC3 270004a_100000764129_100011996249 [0,0,0,0,0,2|1,0,0]=3 3887 B19R3.22023 c1ccc2c(cccc2c1)CCNCC3CC3 2230a_100000735609_100011290781 [0,0,0,0,0,2|1,0,0]=3 3888 B19R3.22023 c1ccc2c(cccc2c1)CCNCC3CC3 2230a_100000751862_100000742324 [0,0,0,0,0,2|1,0,0]=3 3889 B19R3.22023 c1ccc2c(cccc2c1)CCNCC3CC3 269862a_100000751862_100000741477 [0,0,0,0,0,2|1,0,0]=3 3890 B19R3.22023 c1ccc2c(cccc2c1)CCNCC3CC3 34a_100000735609_100011290781 [0,0,0,0,0,2|1,0,0]=3 3891 B19R3.22023 c1ccc2c(cccc2c1)CCNCC3CC3 34a_100000751862_100000742324 [0,0,0,0,0,2|1,0,0]=3 3892 B19R3.22023 c1ccc2c(cccc2c1)CCNCC3CO3 2230a_100000751862_100011216344 [0,0,0,0,0,2|2,0,0]=4 3893 B19R3.22023 c1ccc2c(cccc2c1)CCNCC3CO3 34a_100000751862_102125554688 [0,0,0,0,0,2|2,0,0]=4 3894 B19R3.22023 c1ccc2c(cccc2c1)CCOCC3CC3 34a_100000211283_100011290781 [0,0,0,0,0,2|2,0,0]=4 3895 B19R3.22023 c1ccc2c(cccc2c1)CCOCC3CC3 34a_100011219628_100000742324 [0,0,0,0,0,2|2,0,0]=4 3896 B19R3.22023 c1ccc2c(cccc2c1)CCOCC3CC3 7a_100011219628_100000742324 [0,0,0,0,0,2|2,0,0]=4 3897 B19R3.22023 c1ccc2c(cccc2c1)CCSCC3CC3 62a_100000756562_100011290781 [0,0,0,0,0,2|2,0,0]=4 3898 B19R3.22023 c1ccc2c(cccc2c1)CCSCC3CC3 62a_100011290781_100000742324 [0,0,0,0,0,2|2,0,0]=4 3899 B19R3.22023 c1ccc2c(cccc2c1)CNCCC3CC3 207a_100000764129_100000210074 [0,0,0,0,0,2|1,0,0]=3 3900 B19R3.22023 c1ccc2c(cccc2c1)CNCCC3CC3 270004a_100000764129_100000210074 [0,0,0,0,0,2|1,0,0]=3 3901 B19R3.22023 c1ccc2c(cccc2c1)CNCCC3CC3 34a_100000753325_100000694398 [0,0,0,0,0,2|1,0,0]=3 3902 B19R3.22023 c1ccc2c(cccc2c1)CNCCC3CC3 34a_100000764129_100011261445 [0,0,0,0,0,2|1,0,0]=3 3903 B19R3.22023 c1ccc2c(cccc2c1)CNCCC3CO3 34a_100000753325_100000732470 [0,0,0,0,0,2|2,0,0]=4 3904 B19R3.22023 c1ccc2c(cccc2c1)COCCC3CC3 34a_100000754188_100011261445 [0,0,0,0,0,2|2,0,0]=4 3905 B19R3.22023 c1ccc2c(cccc2c1)COCCC3CC3 34a_100011216843_100000694398 [0,0,0,0,0,2|2,0,0]=4 3906 B19R3.22023 c1ccc2c(cccc2c1)COCCC3CC3 7a_100000754188_100011261445 [0,0,0,0,0,2|2,0,0]=4 3907 B19R3.22023 c1ccc2c(cccc2c1)COCCC3CC3 7a_100011216843_100000764125 [0,0,0,0,0,2|2,0,0]=4 3908 B19R3.22023 c1ccc2c(cccc2c1)CSCCC3CC3 62a_100000764125_100000188474 [0,0,0,0,0,2|2,0,0]=4 3909 B19R3.22023 c1ccc2c(cccc2c1)CSCCC3CC3 62a_100011261445_100000764125 [0,0,0,0,0,2|2,0,0]=4 3910 B19R3.22023 c1ccc2c(ccnc2c1)CNCCC3CC3 34a_100000764129_100015192512 [0,0,0,0,0,2|2,0,0]=4 3911 B19R3.22023 c1ccc2c(cncc2c1)CNCCC3CC3 207a_100000764129_100000684730 [0,0,0,0,0,2|2,0,0]=4 3912 B19R3.22023 c1ccc2c(cncc2c1)CNCCC3CC3 270004a_100000764129_100000684730 [0,0,0,0,0,2|2,0,0]=4 3913 B19R3.22023 c1ccc2c(nccc2c1)CNCCC3CC3 207a_100000764129_100011361464 [0,0,0,0,0,2|2,0,0]=4 3914 B19R3.22023 c1ccc2c(nccc2c1)CNCCC3CC3 270004a_100000764129_100011361464 [0,0,0,0,0,2|2,0,0]=4 3915 B19R3.22023 c1ccc2c(nccc2c1)CNCCC3CC3 34a_100000764129_100000033776 [0,0,0,0,0,2|2,0,0]=4 3916 B19R3.22023 c1cnc2c(cccc2c1)CNCCC3CC3 207a_100000764129_100000239888 [0,0,0,0,0,2|1,0,0]=3 3917 B19R3.22023 c1cnc2c(cccc2c1)CNCCC3CC3 270004a_100000764129_100000239888 [0,0,0,0,0,2|1,0,0]=3 3918 B19R3.22023 c1cnc2c(cccc2c1)CNCCC3CC3 34a_100000764129_100000241032 [0,0,0,0,0,2|1,0,0]=3 3919 B19R3.22023 c1cnc2c(cccc2c1)COCCC3CC3 34a_100000754188_100000241032 [0,0,0,0,0,2|2,0,0]=4 3920 B19R3.22023 c1cnc2c(cccc2c1)COCCC3CC3 34a_100011303629_100000694398 [0,0,0,0,0,2|2,0,0]=4 3921 B19R3.22023 c1cnc2c(cccc2c1)COCCC3CC3 7a_100000754188_100000241032 [0,0,0,0,0,2|2,0,0]=4 3922 B19R3.22023 c1cnc2c(cccc2c1)CSCCC3CC3 62a_100000764125_100000241032 [0,0,0,0,0,2|2,0,0]=4 3923 B19R3.19185 C(#Cc1cccc2c1scc2)CC3CCCC3 271570a_200010126907_100000766737 [0,0,0,0,0,2|1,0,1]=4 3924 B19R3.19185 C(=Cc1cccc2c1scc2)CC3CCCC3 271570a_200000069456_100000766737 [0,0,0,0,0,2|1,0,1]=4 3925 B19R3.19185 C1=CCC(C1)COCc2cccc3c2scc3 34a_100000688395_100009816938 [0,0,0,0,0,2|1,0,0]=3 3926 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3CCCC3 207a_100000737975_100000750900 [0,0,0,0,0,2|1,0,0]=3 3927 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3CCCC3 270004a_100000737975_100000750900 [0,0,0,0,0,2|1,0,0]=3 3928 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3CCOC3 207a_100000737293_100000750900 [0,0,0,0,0,2|1,0,0]=3 3929 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3CCOC3 270004a_100000737293_100000750900 [0,0,0,0,0,2|1,0,0]=3 3930 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3OCCO3 207a_100000036311_100000750900 [0,0,0,0,0,2|1,0,0]=3 3931 B19R3.19185 c1cc(c2[nH]ccc2c1)CNCC3OCCO3 270004a_100000036311_100000750900 [0,0,0,0,0,2|1,0,0]=3 3932 B19R3.19185 c1cc(c2[nH]ccc2c1)CNC[C@@H]3CCCO3 207a_100020590478_100000750900 [0,0,0,0,0,2|1,0,0]=3 3933 B19R3.19185 c1cc(c2[nH]ccc2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100000750900 [0,0,0,0,0,2|1,0,0]=3 3934 B19R3.19185 c1cc(c2[nH]cnc2c1)CNCC3CCCC3 207a_100000737975_100000100021 [0,0,0,0,0,2|2,0,0]=4 3935 B19R3.19185 c1cc(c2[nH]cnc2c1)CNCC3CCCC3 270004a_100000737975_100000100021 [0,0,0,0,0,2|2,0,0]=4 3936 B19R3.19185 c1cc(c2[nH]cnc2c1)CNCC3CCOC3 207a_100000737293_100000100021 [0,0,0,0,0,2|2,0,0]=4 3937 B19R3.19185 c1cc(c2[nH]cnc2c1)CNCC3CCOC3 270004a_100000737293_100000100021 [0,0,0,0,0,2|2,0,0]=4 3938 B19R3.19185 c1cc(c2[nH]cnc2c1)CNCC3OCCO3 207a_100000036311_100000100021 [0,0,0,0,0,2|2,0,0]=4 3939 B19R3.19185 c1cc(c2[nH]cnc2c1)CNCC3OCCO3 270004a_100000036311_100000100021 [0,0,0,0,0,2|2,0,0]=4 3940 B19R3.19185 c1cc(c2[nH]cnc2c1)CNC[C@@H]3CCCO3 207a_100020590478_100000100021 [0,0,0,0,0,2|2,0,0]=4 3941 B19R3.19185 c1cc(c2[nH]cnc2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100000100021 [0,0,0,0,0,2|2,0,0]=4 3942 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCCC3 207a_100000737975_100000068382 [0,0,0,0,0,2|2,0,0]=4 3943 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCCC3 2230a_100000737975_100000099550 [0,0,0,0,0,2|2,0,0]=4 3944 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCCC3 269862a_100000099547_100000746403 [0,0,0,0,0,2|2,0,0]=4 3945 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCCC3 270004a_100000737975_100000068382 [0,0,0,0,0,2|2,0,0]=4 3946 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCCC3 34a_100000737975_100000099550 [0,0,0,0,0,2|2,0,0]=4 3947 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCOC3 207a_100000737293_100000068382 [0,0,0,0,0,2|2,0,0]=4 3948 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCOC3 2230a_100000737293_100000099550 [0,0,0,0,0,2|2,0,0]=4 3949 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCOC3 270004a_100000737293_100000068382 [0,0,0,0,0,2|2,0,0]=4 3950 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3CCOC3 34a_100000737293_100000099550 [0,0,0,0,0,2|2,0,0]=4 3951 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3OCCO3 207a_100000036311_100000068382 [0,0,0,0,0,2|2,0,0]=4 3952 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3OCCO3 2230a_100000036311_100000099550 [0,0,0,0,0,2|2,0,0]=4 3953 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3OCCO3 270004a_100000036311_100000068382 [0,0,0,0,0,2|2,0,0]=4 3954 B19R3.19185 c1cc(c2[nH]ncc2c1)CNCC3OCCO3 34a_100000036311_100000099550 [0,0,0,0,0,2|2,0,0]=4 3955 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCCO3 207a_100020590478_100000068382 [0,0,0,0,0,2|2,0,0]=4 3956 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCCO3 2230a_100020590478_100000099550 [0,0,0,0,0,2|2,0,0]=4 3957 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100000068382 [0,0,0,0,0,2|2,0,0]=4 3958 B19R3.19185 c1cc(c2[nH]ncc2c1)CNC[C@@H]3CCCO3 34a_100020590478_100000099550 [0,0,0,0,0,2|2,0,0]=4 3959 B19R3.19185 c1cc(c2cc[nH]c2c1)CNCC3CCCC3 207a_100000737975_100000750904 [0,0,0,0,0,2|2,0,0]=4 3960 B19R3.19185 c1cc(c2cc[nH]c2c1)CNCC3CCCC3 269862a_100011912549_100000746403 [0,0,0,0,0,2|2,0,0]=4 3961 B19R3.19185 c1cc(c2cc[nH]c2c1)CNCC3CCOC3 207a_100000737293_100000750904 [0,0,0,0,0,2|2,0,0]=4 3962 B19R3.19185 c1cc(c2cc[nH]c2c1)CNCC3OCCO3 207a_100000036311_100000750904 [0,0,0,0,0,2|2,0,0]=4 3963 B19R3.19185 c1cc(c2cc[nH]c2c1)CNC[C@@H]3CCCO3 207a_100020590478_100000750904 [0,0,0,0,0,2|2,0,0]=4 3964 B19R3.19185 c1cc(c2ccsc2c1)CNCC3CCCC3 207a_100000737975_100009860987 [0,0,0,0,0,2|2,0,0]=4 3965 B19R3.19185 c1cc(c2ccsc2c1)CNCC3CCCC3 270004a_100000737975_100009860987 [0,0,0,0,0,2|2,0,0]=4 3966 B19R3.19185 c1cc(c2ccsc2c1)CNCC3CCOC3 207a_100000737293_100009860987 [0,0,0,0,0,2|2,0,0]=4 3967 B19R3.19185 c1cc(c2ccsc2c1)CNCC3CCOC3 270004a_100000737293_100009860987 [0,0,0,0,0,2|2,0,0]=4 3968 B19R3.19185 c1cc(c2ccsc2c1)CNCC3OCCO3 207a_100000036311_100009860987 [0,0,0,0,0,2|2,0,0]=4 3969 B19R3.19185 c1cc(c2ccsc2c1)CNCC3OCCO3 270004a_100000036311_100009860987 [0,0,0,0,0,2|2,0,0]=4 3970 B19R3.19185 c1cc(c2ccsc2c1)CNC[C@@H]3CCCO3 207a_100020590478_100009860987 [0,0,0,0,0,2|2,0,0]=4 3971 B19R3.19185 c1cc(c2ccsc2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100009860987 [0,0,0,0,0,2|2,0,0]=4 3972 B19R3.19185 c1cc(c2nccn2c1)CNCC3CCCC3 207a_100000737975_100000084367 [0,0,0,0,0,2|2,0,0]=4 3973 B19R3.19185 c1cc(c2nccn2c1)CNCC3CCCC3 270004a_100000737975_100000084367 [0,0,0,0,0,2|2,0,0]=4 3974 B19R3.19185 c1cc(c2nccn2c1)CNCC3CCOC3 207a_100000737293_100000084367 [0,0,0,0,0,2|2,0,0]=4 3975 B19R3.19185 c1cc(c2nccn2c1)CNCC3CCOC3 270004a_100000737293_100000084367 [0,0,0,0,0,2|2,0,0]=4 3976 B19R3.19185 c1cc(c2nccn2c1)CNCC3OCCO3 207a_100000036311_100000084367 [0,0,0,0,0,2|2,0,0]=4 3977 B19R3.19185 c1cc(c2nccn2c1)CNCC3OCCO3 270004a_100000036311_100000084367 [0,0,0,0,0,2|2,0,0]=4 3978 B19R3.19185 c1cc(c2nccn2c1)CNC[C@@H]3CCCO3 207a_100020590478_100000084367 [0,0,0,0,0,2|2,0,0]=4 3979 B19R3.19185 c1cc(c2nccn2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100000084367 [0,0,0,0,0,2|2,0,0]=4 3980 B19R3.19185 c1cc(c2ncsc2c1)CNCC3CCCC3 2230a_100000737975_100010883896 [0,0,0,0,0,2|2,0,0]=4 3981 B19R3.19185 c1cc(c2ncsc2c1)CNCC3CCCC3 34a_100000737975_100010883896 [0,0,0,0,0,2|2,0,0]=4 3982 B19R3.19185 c1cc(c2ncsc2c1)CNCC3CCOC3 2230a_100000737293_100010883896 [0,0,0,0,0,2|2,0,0]=4 3983 B19R3.19185 c1cc(c2ncsc2c1)CNCC3CCOC3 34a_100000737293_100010883896 [0,0,0,0,0,2|2,0,0]=4 3984 B19R3.19185 c1cc(c2ncsc2c1)CNCC3OCCO3 2230a_100000036311_100010883896 [0,0,0,0,0,2|2,0,0]=4 3985 B19R3.19185 c1cc(c2ncsc2c1)CNCC3OCCO3 34a_100000036311_100010883896 [0,0,0,0,0,2|2,0,0]=4 3986 B19R3.19185 c1cc(c2ncsc2c1)CNC[C@@H]3CCCO3 2230a_100020590478_100010883896 [0,0,0,0,0,2|2,0,0]=4 3987 B19R3.19185 c1cc(c2ncsc2c1)CNC[C@@H]3CCCO3 34a_100020590478_100010883896 [0,0,0,0,0,2|2,0,0]=4 3988 B19R3.19185 c1cc(c2occc2c1)CNCC3CCCC3 207a_100000737975_100000050329 [0,0,0,0,0,2|0,1,0]=3 3989 B19R3.19185 c1cc(c2occc2c1)CNCC3CCCC3 270004a_100000737975_100000050329 [0,0,0,0,0,2|0,1,0]=3 3990 B19R3.19185 c1cc(c2occc2c1)CNCC3CCOC3 207a_100000737293_100000050329 [0,0,0,0,0,2|0,1,0]=3 3991 B19R3.19185 c1cc(c2occc2c1)CNCC3CCOC3 270004a_100000737293_100000050329 [0,0,0,0,0,2|0,1,0]=3 3992 B19R3.19185 c1cc(c2occc2c1)CNCC3OCCO3 207a_100000036311_100000050329 [0,0,0,0,0,2|0,1,0]=3 3993 B19R3.19185 c1cc(c2occc2c1)CNCC3OCCO3 270004a_100000036311_100000050329 [0,0,0,0,0,2|0,1,0]=3 3994 B19R3.19185 c1cc(c2occc2c1)CNC[C@@H]3CCCO3 207a_100020590478_100000050329 [0,0,0,0,0,2|0,1,0]=3 3995 B19R3.19185 c1cc(c2occc2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100000050329 [0,0,0,0,0,2|0,1,0]=3 3996 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCCC3 207a_100000737975_100011934923 [0,0,0,0,0,2|0,0,0]=2 3997 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCCC3 2230a_100000737975_100009816938 [0,0,0,0,0,2|0,0,0]=2 3998 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCCC3 270004a_100000737975_100011934923 [0,0,0,0,0,2|0,0,0]=2 3999 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCCC3 34a_100000737975_100009816938 [0,0,0,0,0,2|0,0,0]=2 4000 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCOC3 207a_100000737293_100011934923 [0,0,0,0,0,2|0,0,0]=2 4001 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCOC3 2230a_100000737293_100009816938 [0,0,0,0,0,2|0,0,0]=2 4002 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCOC3 270004a_100000737293_100011934923 [0,0,0,0,0,2|0,0,0]=2 4003 B19R3.19185 c1cc(c2sccc2c1)CNCC3CCOC3 34a_100000737293_100009816938 [0,0,0,0,0,2|0,0,0]=2 4004 B19R3.19185 c1cc(c2sccc2c1)CNCC3OCCO3 207a_100000036311_100011934923 [0,0,0,0,0,2|0,0,0]=2 4005 B19R3.19185 c1cc(c2sccc2c1)CNCC3OCCO3 2230a_100000036311_100009816938 [0,0,0,0,0,2|0,0,0]=2 4006 B19R3.19185 c1cc(c2sccc2c1)CNCC3OCCO3 270004a_100000036311_100011934923 [0,0,0,0,0,2|0,0,0]=2 4007 B19R3.19185 c1cc(c2sccc2c1)CNCC3OCCO3 34a_100000036311_100009816938 [0,0,0,0,0,2|0,0,0]=2 4008 B19R3.19185 c1cc(c2sccc2c1)CNC[C@@H]3CCCO3 207a_100020590478_100011934923 [0,0,0,0,0,2|0,0,0]=2 4009 B19R3.19185 c1cc(c2sccc2c1)CNC[C@@H]3CCCO3 2230a_100020590478_100009816938 [0,0,0,0,0,2|0,0,0]=2 4010 B19R3.19185 c1cc(c2sccc2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100011934923 [0,0,0,0,0,2|0,0,0]=2 4011 B19R3.19185 c1cc(c2sccc2c1)CNC[C@@H]3CCCO3 34a_100020590478_100009816938 [0,0,0,0,0,2|0,0,0]=2 4012 B19R3.19185 c1cc(c2sccc2c1)COCC3CCCC3 34a_100000742336_100009816938 [0,0,0,0,0,2|1,0,0]=3 4013 B19R3.19185 c1cc(c2sccc2c1)COCC3CCCC3 7a_100000742336_100009816938 [0,0,0,0,0,2|1,0,0]=3 4014 B19R3.19185 c1cc(c2sccc2c1)COCC3CCCO3 34a_100000210270_100009816938 [0,0,0,0,0,2|1,0,0]=3 4015 B19R3.19185 c1cc(c2sccc2c1)COCC3CCCO3 7a_100000210270_100009816938 [0,0,0,0,0,2|1,0,0]=3 4016 B19R3.19185 c1cc(c2sccc2c1)COCC3CCNC3 34a_100000748654_100009816938 [0,0,0,0,0,2|1,0,0]=3 4017 B19R3.19185 c1cc(c2sccc2c1)COCC3CCOC3 34a_100000740260_100009816938 [0,0,0,0,0,2|1,0,0]=3 4018 B19R3.19185 c1cc(c2sccc2c1)COCC3COCO3 34a_100011216627_100009816938 [0,0,0,0,0,2|1,0,0]=3 4019 B19R3.19185 c1cc(c2sccc2c1)COCC3OCCO3 34a_100000087154_100009816938 [0,0,0,0,0,2|1,0,0]=3 4020 B19R3.19185 c1cc(c2sccc2c1)COC[C@H]3CCCN3 34a_100000745186_100009816938 [0,0,0,0,0,2|1,0,0]=3 4021 B19R3.19185 c1cc(c2sccc2c1)CSCC3=NCCN3 62a_100000737910_100009816938 [0,0,0,0,0,2|1,0,1]=4 4022 B19R3.19185 c1cc(c2sccc2c1)CSCC3CCCC3 62a_100000740388_100009816938 [0,0,0,0,0,2|1,0,0]=3 4023 B19R3.19185 c1cc(c2sccc2c1)CSCC3CCCO3 62a_100000203698_100009816938 [0,0,0,0,0,2|1,0,0]=3 4024 B19R3.19185 c1cc(c2sccc2c1)CSCC3CCOC3 62a_100000702531_100009816938 [0,0,0,0,0,2|1,0,0]=3 4025 B19R3.19185 c1cc(c2sccc2c1)CSCC3OCCO3 62a_100000755774_100009816938 [0,0,0,0,0,2|1,0,0]=3 4026 B19R3.19185 c1cc(c2sccc2c1)SCCC3CCCC3 62a_100000760354_100000766737 [0,0,0,0,0,2|2,0,0]=4 4027 B19R3.19185 c1cc(n2nccc2c1)CNCC3CCCC3 207a_100000737975_100000047034 [0,0,0,0,0,2|2,0,0]=4 4028 B19R3.19185 c1cc(n2nccc2c1)CNCC3CCCC3 270004a_100000737975_100000047034 [0,0,0,0,0,2|2,0,0]=4 4029 B19R3.19185 c1cc(n2nccc2c1)CNCC3CCOC3 207a_100000737293_100000047034 [0,0,0,0,0,2|2,0,0]=4 4030 B19R3.19185 c1cc(n2nccc2c1)CNCC3CCOC3 270004a_100000737293_100000047034 [0,0,0,0,0,2|2,0,0]=4 4031 B19R3.19185 c1cc(n2nccc2c1)CNCC3OCCO3 207a_100000036311_100000047034 [0,0,0,0,0,2|2,0,0]=4 4032 B19R3.19185 c1cc(n2nccc2c1)CNCC3OCCO3 270004a_100000036311_100000047034 [0,0,0,0,0,2|2,0,0]=4 4033 B19R3.19185 c1cc(n2nccc2c1)CNC[C@@H]3CCCO3 207a_100020590478_100000047034 [0,0,0,0,0,2|2,0,0]=4 4034 B19R3.19185 c1cc(n2nccc2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100000047034 [0,0,0,0,0,2|2,0,0]=4 4035 B19R3.324743 C(=NNCC1CCC1)c2cccc3c2[nH]cc3 4a_200020586977_100000750900 [0,0,0,0,0,2|1,0,1]=4 4036 B19R3.324743 C(=NNCC1CCC1)c2cccc3c2occ3 4a_200020586977_100000050329 [0,0,0,0,0,2|0,1,1]=4 4037 B19R3.324743 C(=NNCC1CCC1)c2cccc3c2scc3 4a_200020586977_100011934923 [0,0,0,0,0,2|0,0,1]=3 4038 B19R3.324743 c1cc(c2sccc2c1)COCCC3COC3 34a_100009855314_100009816938 [0,0,0,0,0,2|1,0,0]=3 4039 B19R3.1796376 C(#CC1CC1)COCc2cccc3c2scc3 34a_100000083941_100009816938 [0,0,0,0,0,2|1,0,0]=3 4040 B19R3.1796376 C(#CC1CC1)COCc2cccc3c2scc3 7a_100000083941_100009816938 [0,0,0,0,0,2|1,0,0]=3 4041 B19R3.1796376 C(#CC1CC1)CSCc2cccc3c2scc3 62a_100009895102_100009816938 [0,0,0,0,0,2|1,0,0]=3 4042 B19R3.1796376 c1cc(c2sccc2c1)COCCNC3CC3 34a_100000738766_100009816938 [0,0,0,0,0,2|1,0,0]=3 4043 B19R3.1796376 c1cc(c2sccc2c1)CSCCCC3CO3 62a_100000733510_100009816938 [0,0,0,0,0,2|2,0,0]=4