0 B27R3.599624284 Cc1c(ccnc1CC(=O)C2=Cc3ccccc3C2)OCC(F)(F)F 1458a_100009862756_100016988121 [0,0,0,0,0,0|3,0,0]=3 1 B27R3.599624284 Cc1c(ccnc1CC(=O)C2Cc3ccccc3C2)OCC(F)(F)F 1458a_100000685393_100016988121 [0,0,0,0,0,0|3,0,1]=4 2 B27R3.599624284 Cc1c(ccnc1CC(=O)C2Cc3ccccc3O2)OCC(F)(F)F 1458a_100000209886_100016988121 [0,0,0,0,0,0|3,0,1]=4 3 B27R3.599624284 Cc1c(ccnc1CC(=O)C2Cc3ccccc3S2)OCC(F)(F)F 1458a_100000024912_100016988121 [0,0,0,0,0,0|3,0,1]=4 4 B26R3.274735019 C[C@H](Nc1cc(ccn1)OCC(F)(F)F)c2nc3ccccc3[nH]2 27a_100015206438_200011922636 [1,0,0,0,0,0|3,0,0]=4 5 B26R3.529159723 Cc1c(ccnc1CSc2cc3ccccc3[nH]2)OCC(F)(F)F 62a_100016988121_100010232065 [1,0,0,0,0,0|1,0,1]=3 6 B26R3.529159723 Cc1c(ccnc1CSc2cc3ccccc3o2)OCC(F)(F)F 62a_100016988121_100010159458 [1,0,0,0,0,0|2,0,1]=4 7 B26R3.529159723 Cc1c(ccnc1CSc2cc3ccccc3s2)OCC(F)(F)F 62a_100016988121_100009816949 [1,0,0,0,0,0|2,0,1]=4 8 B26R3.529159723 Cc1c(ccnc1CSc2cc3cccnc3[nH]2)OCC(F)(F)F 62a_100016988121_100010079843 [1,0,0,0,0,0|2,0,1]=4 9 B26R3.529159723 Cc1c(ccnc1CSc2cn3ccccc3n2)OCC(F)(F)F 62a_100016988121_100009819586 [1,0,0,0,0,0|2,0,1]=4 10 B26R3.529159723 Cc1c(ccnc1CSc2nc3ccccc3[nH]2)OCC(F)(F)F 62a_100016988121_100009814255 [1,0,0,0,0,0|0,0,1]=2 11 B26R3.529159723 Cc1c(ccnc1CSc2nc3ccccc3s2)OCC(F)(F)F 62a_100016988121_100000751744 [1,0,0,0,0,0|1,0,1]=3 12 B26R3.529159723 Cc1c(ccnc1CSc2nc3cccnc3s2)OCC(F)(F)F 62a_100010188088_100016988121 [1,0,0,0,0,0|2,0,1]=4 13 B26R3.529159723 Cc1c(ccnc1CSc2nc3cccnc3s2)OCC(F)(F)F 62a_100016988121_100010188088 [1,0,0,0,0,0|2,0,1]=4 14 B28R3.2035155607 CC1=C(Cc2c1cccc2)C(=O)Cc3nccc(c3C)OCC(F)(F)F 1458a_200000242466_100016988121 [0,1,0,0,0,0|3,0,0]=4 15 B26R2.13464829 Cc1c(ccnc1CC(=O)C=Cc2ccccc2Br)OCC(F)(F)F 1458a_100000719032_100016988121 [0,0,1,0,0,0|3,0,0]=4 16 B26R2.13464829 Cc1c(ccnc1CC(=O)C=Cc2ccccc2Cl)OCC(F)(F)F 1458a_100000720304_100016988121 [0,0,1,0,0,0|3,0,0]=4 17 B26R2.13464829 Cc1c(ccnc1CC(=O)C=Cc2ccccc2F)OCC(F)(F)F 1458a_100016256065_100016988121 [0,0,1,0,0,0|3,0,0]=4 18 B26R2.13464829 Cc1c(ccnc1CC(=O)C=Cc2ccccc2O)OCC(F)(F)F 1458a_100016263591_100016988121 [0,0,1,0,0,0|3,0,0]=4 19 B26R2.122489690 C/C(=C\c1ccccc1)/C(=O)Cc2nccc(c2C)OCC(F)(F)F 1458a_100016990649_100016988121 [0,0,1,0,0,0|3,0,0]=4 20 B26R2.122489690 Cc1c(ccnc1CC(=O)/C(=C/c2ccccc2)/Cl)OCC(F)(F)F 1458a_200020598536_100016988121 [0,0,1,0,0,0|3,0,0]=4 21 B26R2.122489690 Cc1c(ccnc1CC(=O)/C(=C\c2ccccc2)/F)OCC(F)(F)F 1458a_100020889036_100016988121 [0,0,1,0,0,0|3,0,0]=4 22 B26R2.122489690 Cc1c(ccnc1CC(=O)C(=O)Nc2ccccc2)OCC(F)(F)F 1458a_100000738435_100016988121 [0,0,1,0,0,0|2,0,0]=3 23 B26R3.529160441 Cc1c(ccnc1CC(=O)C2Cc3c2cccc3)OCC(F)(F)F 1458a_200000238571_100016988121 [0,0,0,0,1,0|2,0,1]=4 24 B28R3.2035151039 Cc1c(ccnc1CNC(C)c2nc3ccccc3s2)OCC(F)(F)F 2230a_100000213967_100016988121 [0,0,0,0,0,1|3,0,0]=4 25 B28R3.2035151039 Cc1c(ccnc1CN[C@@H](C)c2nc3ccccc3[nH]2)OCC(F)(F)F 2230a_100015206438_100016988121 [0,0,0,0,0,1|2,0,0]=3 26 B28R3.2035158300 Cc1c(ccnc1CC(=O)Cc2cc3ccccc3o2)OCC(F)(F)F 1458a_100000735538_100016988121 [0,0,0,0,0,1|3,0,0]=4 27 B28R3.2035158300 Cc1c(ccnc1CC(=O)Cc2cc3ccccc3s2)OCC(F)(F)F 1458a_100012001211_100016988121 [0,0,0,0,0,1|3,0,0]=4 28 B28R3.2035158300 Cc1c(ccnc1CC(=O)Cc2nc3ccccc3o2)OCC(F)(F)F 1458a_100015185861_100016988121 [0,0,0,0,0,1|2,0,0]=3 29 B28R3.2035158300 Cc1c(ccnc1CC(=O)Cn2cc3ccccc3n2)OCC(F)(F)F 1458a_100000060251_100016988121 [0,0,0,0,0,1|3,0,0]=4 30 B28R3.2035158300 Cc1c(ccnc1CN(C)Cc2cc3ccccc3[nH]2)OCC(F)(F)F 2230a_100000685833_100016988121 [0,0,0,0,0,1|3,0,0]=4 31 B28R3.2035158300 Cc1c(ccnc1CN(C)Cc2cc3ccccc3[nH]2)OCC(F)(F)F 269982a_100000685833_100016988121 [0,0,0,0,0,1|3,0,0]=4 32 B28R3.2035158300 Cc1c(ccnc1CN(C)Cc2nc3ccccc3[nH]2)OCC(F)(F)F 2230a_100000736437_100016988121 [0,0,0,0,0,1|2,0,0]=3 33 B28R3.2035158300 Cc1c(ccnc1CN(C)Cc2nc3ccccc3[nH]2)OCC(F)(F)F 269982a_100000736437_100016988121 [0,0,0,0,0,1|2,0,0]=3 34 B28R3.2035158300 Cc1c(ccnc1CN(C)Cc2nc3ccccc3s2)OCC(F)(F)F 2230a_100000204650_100016988121 [0,0,0,0,0,1|3,0,0]=4 35 B28R3.2035158300 Cc1c(ccnc1CN(C)Cc2nc3ccccc3s2)OCC(F)(F)F 269982a_100000204650_100016988121 [0,0,0,0,0,1|3,0,0]=4 36 B28R3.2035158650 Cc1c(ccnc1CC(=O)C2=Cc3ccccc3OC2)OCC(F)(F)F 1458a_100000018039_100016988121 [0,0,0,0,0,1|3,0,0]=4 37 B28R3.2035158650 Cc1c(ccnc1CC(=O)c2ccc3ccccc3c2)OCC(F)(F)F 1458a_100000210637_100016988121 [0,0,0,0,0,1|3,0,0]=4 38 B25R2.92039861 Cc1c(ccnc1CC(=O)C=Cc2ccccc2)OCC(F)(F)F 1458a_100000210462_100016988121 [1,0,1,0,0,0|2,0,0]=4 39 B25R3.126993825 FC(F)(F)COc1ccnc(c1)NCc2nc3ccccc3[nH]2 27a_100000729406_200011922636 [2,0,0,0,0,0|2,0,0]=4 40 B25R3.126993825 FC(F)(F)COc1ccnc(c1)SCc2nc3ccccc3[nH]2 62a_200011922636_100000737899 [2,0,0,0,0,0|2,0,0]=4 41 B27R2.17748450 Cc1c(ccnc1CC(=O)C(=O)Nc2ccccc2F)OCC(F)(F)F 1458a_200011297310_100016988121 [0,1,1,0,0,0|2,0,0]=4 42 B27R2.17748450 Cc1ccccc1NC(=O)C(=O)Cc2nccc(c2C)OCC(F)(F)F 1458a_200011297352_100016988121 [0,1,1,0,0,0|2,0,0]=4 43 B27R2.11349403 Cc1ccc(cc1)NC(=O)C(=O)Cc2nccc(c2C)OCC(F)(F)F 1458a_100000189662_100016988121 [0,1,1,0,0,0|2,0,0]=4 44 B27R2.12011111 Cc1c(ccnc1CC(=O)C(=O)Nc2cccc(c2)Cl)OCC(F)(F)F 1458a_200011297299_100016988121 [0,1,1,0,0,0|2,0,0]=4 45 B27R2.12011111 Cc1c(ccnc1CC(=O)C(=O)Nc2cccc(c2)F)OCC(F)(F)F 1458a_200011297300_100016988121 [0,1,1,0,0,0|2,0,0]=4 46 B27R2.154648573 Cc1c(ccnc1CC(=O)C(=O)N(C)c2ccccc2)OCC(F)(F)F 1458a_100011297159_100016988121 [0,1,1,0,0,0|2,0,0]=4 47 B27R3.167481991 Cc1c(ccnc1CSc2cc3cc(ccc3[nH]2)Br)OCC(F)(F)F 62a_100011012855_100016988121 [1,1,0,0,0,0|1,0,1]=4 48 B27R3.167481991 Cc1c(ccnc1CSc2cc3cc(ccc3[nH]2)Br)OCC(F)(F)F 62a_100016988121_100011012855 [1,1,0,0,0,0|1,0,1]=4 49 B27R3.167481991 Cc1c(ccnc1CSc2nc3cc(ccc3s2)F)OCC(F)(F)F 62a_100016988121_200010206605 [1,1,0,0,0,0|1,0,1]=4 50 B27R3.167481991 Cc1c(ccnc1CSc2nc3cc(ccc3s2)F)OCC(F)(F)F 62a_200010206605_100016988121 [1,1,0,0,0,0|1,0,1]=4 51 B27R3.167481991 Cc1c(ccnc1CSc2nc3cc(ccc3s2)N)OCC(F)(F)F 62a_100010329861_100016988121 [1,1,0,0,0,0|1,0,1]=4 52 B27R3.167481991 Cc1c(ccnc1CSc2nc3cc(ccc3s2)N)OCC(F)(F)F 62a_100016988121_100010329861 [1,1,0,0,0,0|1,0,1]=4 53 B27R3.167481991 Cc1c(ccnc1CSc2nc3ccc(cc3s2)F)OCC(F)(F)F 62a_100000751617_100016988121 [1,1,0,0,0,0|1,0,1]=4 54 B27R3.167481991 Cc1c(ccnc1CSc2nc3ccc(cc3s2)F)OCC(F)(F)F 62a_100016988121_100000751617 [1,1,0,0,0,0|1,0,1]=4 55 B27R3.167481991 Cc1c(ccnc1CSc2nc3ccc(cc3s2)N)OCC(F)(F)F 62a_100010253933_100016988121 [1,1,0,0,0,0|1,0,1]=4 56 B27R3.167481991 Cc1c(ccnc1CSc2nc3ccc(cc3s2)N)OCC(F)(F)F 62a_100016988121_100010253933 [1,1,0,0,0,0|1,0,1]=4 57 B27R3.167481991 Cc1c(ccnc1CSc2nc3ccc(cc3s2)O)OCC(F)(F)F 62a_100016988121_100010063415 [1,1,0,0,0,0|1,0,1]=4 58 B27R3.167481991 Cc1ccc2nc(sc2c1)SCc3nccc(c3C)OCC(F)(F)F 62a_100016988121_100010186437 [1,1,0,0,0,0|1,0,1]=4 59 B27R3.202307407 Cc1c(ccnc1COc2cc3ccccc3n2C)OCC(F)(F)F 34a_100000066695_100016988121 [1,1,0,0,0,0|1,1,0]=4 60 B27R3.202307407 Cc1c(ccnc1CSc2nc3ccccc3n2C)OCC(F)(F)F 62a_100016988121_200000239431 [1,1,0,0,0,0|0,0,1]=3 61 B27R3.202307407 Cc1c(ccnc1CSc2nc3ccccc3n2C)OCC(F)(F)F 62a_200000239431_100016988121 [1,1,0,0,0,0|0,0,1]=3 62 B27R3.254449596 Cc1c(ccnc1CSc2cc3cccc(c3[nH]2)Br)OCC(F)(F)F 62a_100016988121_100135389745 [1,1,0,0,0,0|1,0,1]=4 63 B27R3.254449596 Cc1c(ccnc1CSc2cc3cccc(c3[nH]2)Br)OCC(F)(F)F 62a_100135389745_100016988121 [1,1,0,0,0,0|1,0,1]=4 64 B27R3.254449596 Cc1c(ccnc1CSc2nc3c(cccc3s2)C)OCC(F)(F)F 62a_100016988121_100010008827 [1,1,0,0,0,0|1,0,1]=4 65 B27R3.254449596 Cc1c(ccnc1CSc2nc3c(cccc3s2)F)OCC(F)(F)F 62a_100016988121_100010008856 [1,1,0,0,0,0|1,0,1]=4 66 B29R3.422102502 Cc1c(ccnc1COC(C)c2nc3c(cccc3[nH]2)C)OCC(F)(F)F 7a_200011795234_100016988121 [0,1,0,0,0,1|2,0,0]=4 67 B29R3.3565866956 Cc1ccc2nc([nH]c2c1)C(C)OCc3nccc(c3C)OCC(F)(F)F 7a_100000187185_100016988121 [0,1,0,0,0,1|2,0,0]=4 68 B29R3.422100459 Cc1c(ccnc1CN(C)Cc2nc3cccc(c3[nH]2)C)OCC(F)(F)F 2230a_100015185812_100016988121 [0,1,0,0,0,1|2,0,0]=4 69 B29R3.422100459 Cc1c(ccnc1CN(C)Cc2nc3cccc(c3[nH]2)C)OCC(F)(F)F 269982a_100015185812_100016988121 [0,1,0,0,0,1|2,0,0]=4 70 B29R3.3143901754 Cc1c(ccnc1CN(C)Cc2nc3cc(ccc3[nH]2)Cl)OCC(F)(F)F 2230a_200015185327_100016988121 [0,1,0,0,0,1|2,0,0]=4 71 B29R3.3143901754 Cc1c(ccnc1CN(C)Cc2nc3cc(ccc3[nH]2)Cl)OCC(F)(F)F 269982a_200015185327_100016988121 [0,1,0,0,0,1|2,0,0]=4 72 B29R3.3143901754 Cc1c(ccnc1CN(C)Cc2nc3ccc(cc3[nH]2)F)OCC(F)(F)F 2230a_100015183913_100016988121 [0,1,0,0,0,1|2,0,0]=4 73 B29R3.3143901754 Cc1c(ccnc1CN(C)Cc2nc3ccc(cc3[nH]2)F)OCC(F)(F)F 269982a_100015183913_100016988121 [0,1,0,0,0,1|2,0,0]=4 74 B29R3.3143901754 Cc1ccc2[nH]c(nc2c1)CN(C)Cc3nccc(c3C)OCC(F)(F)F 2230a_200015187218_100016988121 [0,1,0,0,0,1|2,0,0]=4 75 B29R3.3143901754 Cc1ccc2[nH]c(nc2c1)CN(C)Cc3nccc(c3C)OCC(F)(F)F 269982a_200015187218_100016988121 [0,1,0,0,0,1|2,0,0]=4 76 B29R3.3539564717 Cc1c(ccnc1CN(C)Cc2nc3ccccc3n2C)OCC(F)(F)F 2230a_100000754622_100016988121 [0,1,0,0,0,1|2,0,0]=4 77 B29R3.3539564717 Cc1c(ccnc1CN(C)Cc2nc3ccccc3n2C)OCC(F)(F)F 269982a_100000754622_100016988121 [0,1,0,0,0,1|2,0,0]=4 78 B25R2.89501237 C=C(C(=O)Cc1nccc(c1C)OCC(F)(F)F)c2ccccc2 1458a_100000065200_100016988121 [0,0,1,0,1,0|2,0,0]=4 79 B27R3.1250381383 O=C(CSc1cc(ccn1)OCC(F)(F)F)c2nc3ccccc3s2 62a_100000198972_200011922636 [1,0,0,0,0,1|2,0,0]=4 80 B27R3.202307521 Cc1c(ccnc1COc2cnc3ccccc3c2)OCC(F)(F)F 34a_100011934006_100016988121 [1,0,0,0,0,1|1,1,0]=4 81 B27R3.202307521 Cc1c(ccnc1COc2cnc3ccccc3c2)OCC(F)(F)F 7a_100011934006_100016988121 [1,0,0,0,0,1|1,1,0]=4 82 B27R3.202307521 Cc1c(ccnc1CSc2cc3ccccc3cn2)OCC(F)(F)F 62a_100009816522_100016988121 [1,0,0,0,0,1|1,0,1]=4 83 B27R3.202307521 Cc1c(ccnc1CSc2cc3ccccc3cn2)OCC(F)(F)F 62a_100016988121_100000047361 [1,0,0,0,0,1|1,0,1]=4 84 B27R3.202307521 Cc1c(ccnc1CSc2ccc3ccccc3n2)OCC(F)(F)F 62a_100011291633_100016988121 [1,0,0,0,0,1|1,0,1]=4 85 B27R3.202307521 Cc1c(ccnc1CSc2ccc3ccccc3n2)OCC(F)(F)F 62a_100016988121_100011291633 [1,0,0,0,0,1|1,0,1]=4 86 B27R3.202307521 Cc1c(ccnc1CSc2cnc3ccccc3c2)OCC(F)(F)F 62a_100016988121_100000737414 [1,0,0,0,0,1|1,0,1]=4 87 B27R3.202307521 Cc1c(ccnc1CSc2cnc3ccccc3n2)OCC(F)(F)F 62a_100000756483_100016988121 [1,0,0,0,0,1|0,0,2]=4 88 B27R3.202307521 Cc1c(ccnc1CSc2cnc3ccccc3n2)OCC(F)(F)F 62a_100016988121_100000756483 [1,0,0,0,0,1|0,0,2]=4 89 B27R3.202307521 Cc1c(ccnc1CSc2ncc3ccccc3n2)OCC(F)(F)F 62a_100016988121_100000097389 [1,0,0,0,0,1|0,0,2]=4 90 B27R3.599621939 Cc1c(ccnc1COCc2nc3ccccc3[nH]2)OCC(F)(F)F 7a_100010170007_100000737899 [1,0,0,0,0,1|0,1,0]=3 91 B27R3.599621939 Cc1c(ccnc1COCc2nc3ccccc3o2)OCC(F)(F)F 34a_100010170007_200012361514 [1,0,0,0,0,1|1,1,0]=4 92 B27R3.599621939 Cc1c(ccnc1COCc2nc3ccccc3o2)OCC(F)(F)F 7a_100010170007_100000195508 [1,0,0,0,0,1|1,1,0]=4 93 B27R3.599621939 Cc1c(ccnc1COCc2nc3ccccc3s2)OCC(F)(F)F 34a_100010170007_100011217541 [1,0,0,0,0,1|1,1,0]=4 94 B27R3.599621939 Cc1c(ccnc1COCc2nc3ccccc3s2)OCC(F)(F)F 7a_100010170007_100011217541 [1,0,0,0,0,1|1,1,0]=4 95 B27R3.599621939 Cc1c(ccnc1COCc2nc3cccnc3[nH]2)OCC(F)(F)F 7a_100010170007_100011549802 [1,0,0,0,0,1|1,1,0]=4 96 B27R3.599621939 Cc1c(ccnc1CSCc2nc3ccccc3[nH]2)OCC(F)(F)F 62a_100016988121_100000737899 [1,0,0,0,0,1|0,0,1]=3 97 B27R3.599621939 Cc1c(ccnc1CSCc2nc3ccccc3o2)OCC(F)(F)F 62a_100016988121_100000195508 [1,0,0,0,0,1|1,0,1]=4 98 B27R3.599621939 Cc1c(ccnc1CSCc2nc3ccccc3s2)OCC(F)(F)F 62a_100011217541_100016988121 [1,0,0,0,0,1|1,0,1]=4 99 B27R3.599621939 Cc1c(ccnc1CSCc2nc3ccccc3s2)OCC(F)(F)F 62a_100016988121_100000766747 [1,0,0,0,0,1|1,0,1]=4 100 B27R3.599621939 Cc1c(ccnc1CSCc2nc3cccnc3[nH]2)OCC(F)(F)F 62a_100011549802_100016988121 [1,0,0,0,0,1|1,0,1]=4 101 B29R3.8851012733 Cc1c(ccnc1CSCC(=O)c2nc3ccccc3s2)OCC(F)(F)F 62a_100000198972_100016988121 [0,0,0,0,0,2|2,0,0]=4 102 B29R3.3539556782 Cc1c(ccnc1CC(=O)C=Cc2nc3ccccc3o2)OCC(F)(F)F 1458a_100000697878_100016988121 [0,0,0,0,0,2|2,0,0]=4 103 B29R3.3539556782 Cc1c(ccnc1CC(=O)C=Cc2nc3ccccc3s2)OCC(F)(F)F 1458a_100000682698_100016988121 [0,0,0,0,0,2|2,0,0]=4 104 B29R3.3539556782 Cc1c(ccnc1CC(=O)CCc2nc3ccccc3[nH]2)OCC(F)(F)F 1458a_100102526157_100016988121 [0,0,0,0,0,2|1,0,0]=3 105 B29R3.3539556782 Cc1c(ccnc1CC(=O)CCc2nc3ccccc3s2)OCC(F)(F)F 1458a_100000182949_100016988121 [0,0,0,0,0,2|2,0,0]=4 106 B29R3.3539556782 Cc1c(ccnc1CC(=O)CSc2nc3ccccc3[nH]2)OCC(F)(F)F 1458a_100000179484_100016988121 [0,0,0,0,0,2|1,0,0]=3 107 B29R3.3539556782 Cc1c(ccnc1CC(=O)CSc2nc3ccccc3o2)OCC(F)(F)F 1458a_200000179485_100016988121 [0,0,0,0,0,2|2,0,0]=4 108 B29R3.3539556782 Cc1c(ccnc1CC(=O)CSc2nc3ccccc3s2)OCC(F)(F)F 1458a_100000179486_100016988121 [0,0,0,0,0,2|2,0,0]=4 109 B29R3.3539556782 Cc1c(ccnc1CN(C)CCc2nc3ccccc3[nH]2)OCC(F)(F)F 269982a_100015206297_100016988121 [0,0,0,0,0,2|2,0,0]=4