0 B17R2.5618 C=C(C)c1ccccc1CN2CCCCC2 271570a_100000694244_100000174427 [0,0,0,0,0,0|4,0,0]=4 1 B17R2.5618 C=C(C)c1ccccc1NC2CCCCC2 34a_100000037685_100000210327 [0,0,0,0,0,0|2,0,0]=2 2 B17R2.5618 C=C(C)c1ccccc1NC2CCCOC2 34a_100000037685_100000693364 [0,0,0,0,0,0|3,0,0]=3 3 B17R2.5618 C=C(C)c1ccccc1NC2CCSCC2 34a_100000037685_100000069128 [0,0,0,0,0,0|3,0,0]=3 4 B17R2.5618 C=C(C)c1ccccc1OC2CCCCC2 271570a_100000694244_200011235867 [0,0,0,0,0,0|3,0,0]=3 5 B17R2.5618 CC(=O)c1ccccc1CN2CCCCC2 1458a_100011301541_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B17R2.5618 CC(=O)c1ccccc1CN2CCOCC2 1458a_100000758575_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B17R2.5618 CC(=O)c1ccccc1SC2C=CCCC2 62a_100000751169_100000751183 [0,0,0,0,0,0|2,0,2]=4 8 B17R2.5618 CC(=O)c1ccccc1SC2CCCCC2 62a_100000751169_100000210327 [0,0,0,0,0,0|2,0,0]=2 9 B17R2.5618 CC(=O)c1ccccc1SC2CCCOC2 62a_100000751169_100000693364 [0,0,0,0,0,0|3,0,0]=3 10 B17R2.5618 CC(=O)c1ccccc1SC2CCOCC2 62a_100000751169_100011324220 [0,0,0,0,0,0|3,0,0]=3 11 B17R2.5618 CC(=O)c1ccccc1SC2CCSCC2 62a_100000751169_100000069128 [0,0,0,0,0,0|3,0,0]=3 12 B17R2.5618 CC(=O)c1cccnc1NC2CCCCC2 27a_100000182618_100009816689 [0,0,0,0,0,0|2,0,0]=2 13 B17R2.5618 CC(=O)c1cccnc1NC2CCCOC2 27a_100000719290_100009816689 [0,0,0,0,0,0|3,0,0]=3 14 B17R2.5618 CC(=O)c1cccnc1NC2CCOCC2 27a_100000741149_100009816689 [0,0,0,0,0,0|3,0,0]=3 15 B17R2.5618 CC(=O)c1cccnc1NC2CCSCC2 27a_100000748639_100009816689 [0,0,0,0,0,0|3,0,0]=3 16 B17R2.5618 CC(=O)c1cccnc1SC2CCCCC2 62a_100000210327_100000753718 [0,0,0,0,0,0|3,0,0]=3 17 B17R2.5618 CC(=O)c1cccnc1SC2CCCCC2 62a_100000753718_100000210327 [0,0,0,0,0,0|3,0,0]=3 18 B17R2.5618 CC(=O)c1cccnc1SC2CCCOC2 62a_100000753718_100000693364 [0,0,0,0,0,0|4,0,0]=4 19 B17R2.5618 CC(=O)c1cccnc1SC2CCOCC2 62a_100000753718_100011324220 [0,0,0,0,0,0|4,0,0]=4 20 B17R2.5618 CC(=O)c1cccnc1SC2CCSCC2 62a_100000753718_100000069128 [0,0,0,0,0,0|4,0,0]=4 21 B17R2.5618 CC(=O)c1ccncc1OC2CCCCC2 7a_100009872882_100000210327 [0,0,0,0,0,0|3,0,0]=3 22 B17R2.5618 CC(=O)c1ccncc1OC2CCCOC2 7a_100009872882_100000693364 [0,0,0,0,0,0|4,0,0]=4 23 B17R2.5618 CC(=O)c1ccncc1OC2CCOCC2 7a_100009872882_100000686592 [0,0,0,0,0,0|4,0,0]=4 24 B17R2.5618 CC(=O)c1ccncc1OC2CCSCC2 7a_100009872882_100011500858 [0,0,0,0,0,0|4,0,0]=4 25 B17R2.5618 CC(=O)c1ccncc1SC2CCCCC2 62a_100000210327_100009993184 [0,0,0,0,0,0|3,0,0]=3 26 B17R2.5618 CC(=O)c1ccncc1SC2CCCCC2 62a_100009993184_100000210327 [0,0,0,0,0,0|3,0,0]=3 27 B17R2.5618 CC(=O)c1ccncc1SC2CCCOC2 62a_100009993184_100000693364 [0,0,0,0,0,0|4,0,0]=4 28 B17R2.5618 CC(=O)c1ccncc1SC2CCOCC2 62a_100009993184_100011324220 [0,0,0,0,0,0|4,0,0]=4 29 B17R2.5618 CC(=O)c1ccncc1SC2CCSCC2 62a_100009993184_100000069128 [0,0,0,0,0,0|4,0,0]=4 30 B17R2.5618 CC(=O)c1cnccc1NC2CCCCC2 27a_100000182618_100160469449 [0,0,0,0,0,0|2,0,0]=2 31 B17R2.5618 CC(=O)c1cnccc1NC2CCCOC2 27a_100000719290_100160469449 [0,0,0,0,0,0|3,0,0]=3 32 B17R2.5618 CC(=O)c1cnccc1NC2CCOCC2 27a_100000741149_100160469449 [0,0,0,0,0,0|3,0,0]=3 33 B17R2.5618 CC(=O)c1cnccc1NC2CCSCC2 27a_100000748639_100160469449 [0,0,0,0,0,0|3,0,0]=3 34 B17R2.5618 CC(=O)c1cnccc1SC2CCCCC2 62a_100000210327_100160469449 [0,0,0,0,0,0|3,0,0]=3 35 B17R2.5618 CC(=O)c1cnccc1SC2CCCCC2 62a_100160469449_100000210327 [0,0,0,0,0,0|3,0,0]=3 36 B17R2.5618 CC(=O)c1cnccc1SC2CCCOC2 62a_100160469449_100000693364 [0,0,0,0,0,0|4,0,0]=4 37 B17R2.5618 CC(=O)c1cnccc1SC2CCOCC2 62a_100160469449_100011324220 [0,0,0,0,0,0|4,0,0]=4 38 B17R2.5618 CC(=O)c1cnccc1SC2CCSCC2 62a_100160469449_100000069128 [0,0,0,0,0,0|4,0,0]=4 39 B17R2.5618 CC(=O)c1ncccc1OC2CCCCC2 34a_100000087166_100000210327 [0,0,0,0,0,0|3,0,0]=3 40 B17R2.5618 CC(=O)c1ncccc1OC2CCCCC2 7a_100000087166_100000210327 [0,0,0,0,0,0|3,0,0]=3 41 B17R2.5618 CC(=O)c1ncccc1OC2CCCOC2 34a_100000087166_100000693364 [0,0,0,0,0,0|4,0,0]=4 42 B17R2.5618 CC(=O)c1ncccc1OC2CCCOC2 7a_100000087166_100000693364 [0,0,0,0,0,0|4,0,0]=4 43 B17R2.5618 CC(=O)c1ncccc1OC2CCOCC2 7a_100000087166_100000686592 [0,0,0,0,0,0|4,0,0]=4 44 B17R2.5618 CC(=O)c1ncccc1OC2CCSCC2 34a_100000087166_100000069128 [0,0,0,0,0,0|4,0,0]=4 45 B17R2.5618 CC(=O)c1ncccc1OC2CCSCC2 7a_100000087166_100011500858 [0,0,0,0,0,0|4,0,0]=4 46 B17R2.5618 CC(=O)c1ncccc1SC2CCCCC2 62a_100000210327_100012348690 [0,0,0,0,0,0|3,0,0]=3 47 B17R2.5618 CC(=O)c1ncccc1SC2CCCCC2 62a_100012348690_100000210327 [0,0,0,0,0,0|3,0,0]=3 48 B17R2.5618 CC(=O)c1ncccc1SC2CCCOC2 62a_100012348690_100000693364 [0,0,0,0,0,0|4,0,0]=4 49 B17R2.5618 CC(=O)c1ncccc1SC2CCOCC2 62a_100012348690_100011324220 [0,0,0,0,0,0|4,0,0]=4 50 B17R2.5618 CC(=O)c1ncccc1SC2CCSCC2 62a_100012348690_100000069128 [0,0,0,0,0,0|4,0,0]=4 51 B17R2.5618 CC(=O)c1nccnc1NC2CCCCC2 27a_100000182618_100000099859 [0,0,0,0,0,0|3,0,0]=3 52 B17R2.5618 CC(=O)c1nccnc1NC2CCCOC2 27a_100000719290_100000099859 [0,0,0,0,0,0|4,0,0]=4 53 B17R2.5618 CC(=O)c1nccnc1NC2CCOCC2 27a_100000741149_100000099859 [0,0,0,0,0,0|4,0,0]=4 54 B17R2.5618 CC(=O)c1nccnc1NC2CCSCC2 27a_100000748639_100000099859 [0,0,0,0,0,0|4,0,0]=4 55 B17R2.5618 CC(=O)c1nccnc1SC2CCCCC2 62a_100000099859_100000210327 [0,0,0,0,0,0|4,0,0]=4 56 B17R2.5618 CC(=O)c1nccnc1SC2CCCCC2 62a_100000210327_100000099859 [0,0,0,0,0,0|4,0,0]=4 57 B17R2.5618 CC(C)c1ccccc1NC2CCCCC2 34a_100000210643_100000210327 [0,0,0,0,0,0|2,0,1]=3 58 B17R2.5618 CC(C)c1ccccc1NC2CCCCC2 7a_100000210643_100000210327 [0,0,0,0,0,0|2,0,1]=3 59 B17R2.5618 CC(C)c1ccccc1NC2CCCOC2 34a_100000210643_100000693364 [0,0,0,0,0,0|3,0,1]=4 60 B17R2.5618 CC(C)c1ccccc1NC2CCCOC2 7a_100000210643_100000693364 [0,0,0,0,0,0|3,0,1]=4 61 B17R2.5618 CC(C)c1ccccc1NC2CCOCC2 7a_100000210643_100000686592 [0,0,0,0,0,0|3,0,1]=4 62 B17R2.5618 CC(C)c1ccccc1NC2CCSCC2 34a_100000210643_100000069128 [0,0,0,0,0,0|3,0,1]=4 63 B17R2.5618 CC(C)c1ccccc1NC2CCSCC2 7a_100000210643_100011500858 [0,0,0,0,0,0|3,0,1]=4 64 B17R2.5618 CC(C)c1ccccc1OC2CCCCC2 34a_100000211617_100000210327 [0,0,0,0,0,0|3,0,1]=4 65 B17R2.5618 CC(C)c1ccccc1OC2CCCCC2 7a_100000211617_100000210327 [0,0,0,0,0,0|3,0,1]=4 66 B17R2.5618 CC(N)c1ccccc1SC2CCCCC2 62a_100000181357_100000210327 [0,0,0,0,0,0|3,0,1]=4 67 B17R2.5618 CC(N)c1ccccc1SC2CCCCC2 62a_100000210327_100000181357 [0,0,0,0,0,0|3,0,1]=4 68 B17R2.5618 CC(O)c1ccccc1NC2C=CCCC2 2230a_100011405641_100000751183 [0,0,0,0,0,0|1,0,3]=4 69 B17R2.5618 CC(O)c1ccccc1OC2CCCCC2 34a_200011232679_100000210327 [0,0,0,0,0,0|2,0,1]=3 70 B17R2.5618 CC(O)c1ccccc1OC2CCCCC2 7a_200011232679_100000210327 [0,0,0,0,0,0|2,0,1]=3 71 B17R2.5618 CC(O)c1ccccc1OC2CCCOC2 34a_200011232679_100000693364 [0,0,0,0,0,0|3,0,1]=4 72 B17R2.5618 CC(O)c1ccccc1OC2CCCOC2 7a_200011232679_100000693364 [0,0,0,0,0,0|3,0,1]=4 73 B17R2.5618 CC(O)c1ccccc1OC2CCOCC2 7a_200011232679_100000686592 [0,0,0,0,0,0|3,0,1]=4 74 B17R2.5618 CC(O)c1ccccc1OC2CCSCC2 34a_200011232679_100000069128 [0,0,0,0,0,0|3,0,1]=4 75 B17R2.5618 CC(O)c1ccccc1OC2CCSCC2 7a_200011232679_100011500858 [0,0,0,0,0,0|3,0,1]=4 76 B17R2.5618 CC(O)c1ccccc1SC2CCCCC2 62a_100000210327_100000702211 [0,0,0,0,0,0|2,0,1]=3 77 B17R2.5618 CC(O)c1ccccc1SC2CCCCC2 62a_100000702211_100000210327 [0,0,0,0,0,0|2,0,1]=3 78 B17R2.5618 CC(O)c1ccccc1SC2CCCOC2 62a_100000702211_100000693364 [0,0,0,0,0,0|3,0,1]=4 79 B17R2.5618 CC(O)c1ccccc1SC2CCOCC2 62a_100000702211_100011324220 [0,0,0,0,0,0|3,0,1]=4 80 B17R2.5618 CC(O)c1ccccc1SC2CCSCC2 62a_100000702211_100000069128 [0,0,0,0,0,0|3,0,1]=4 81 B17R2.5618 CC(O)c1cccnc1SC2CCCCC2 62a_100000210327_100009865335 [0,0,0,0,0,0|3,0,1]=4 82 B17R2.5618 CC(O)c1cccnc1SC2CCCCC2 62a_100009865335_100000210327 [0,0,0,0,0,0|3,0,1]=4 83 B17R2.5618 CN(C)c1ccccc1SC2CCCCC2 62a_100000210327_100011290883 [0,0,0,0,0,0|4,0,0]=4 84 B17R2.5618 CN(C)c1ccccc1SC2CCCCC2 62a_100011290883_100000210327 [0,0,0,0,0,0|4,0,0]=4 85 B17R2.5618 CS(=O)c1ccccc1SC2CCCCC2 62a_100000734199_100000210327 [0,0,0,0,0,0|3,0,0]=3 86 B17R2.5618 CS(=O)c1ccccc1SC2CCCOC2 62a_100000734199_100000693364 [0,0,0,0,0,0|4,0,0]=4 87 B17R2.5618 CS(=O)c1ccccc1SC2CCOCC2 62a_100000734199_100011324220 [0,0,0,0,0,0|4,0,0]=4 88 B17R2.5618 CS(=O)c1ccccc1SC2CCSCC2 62a_100000734199_100000069128 [0,0,0,0,0,0|4,0,0]=4 89 B17R2.5618 C[C@@H](N)c1ccccc1OC2CCCCC2 34a_100025703389_100000210327 [0,0,0,0,0,0|3,0,1]=4 90 B17R2.5618 C[C@H](O)c1ncccc1SC2CCCCC2 62a_100000210327_100013325542 [0,0,0,0,0,0|3,0,1]=4 91 B17R2.5618 C[C@H](O)c1ncccc1SC2CCCCC2 62a_100013325542_100000210327 [0,0,0,0,0,0|3,0,1]=4 92 B17R2.5618 FC(F)c1ccccc1NC2CCCCC2 34a_100000734540_100000210327 [0,0,0,0,0,0|2,0,1]=3 93 B17R2.5618 FC(F)c1ccccc1NC2CCCCC2 7a_100000734540_100000210327 [0,0,0,0,0,0|2,0,1]=3 94 B17R2.5618 FC(F)c1ccccc1NC2CCCOC2 34a_100000734540_100000693364 [0,0,0,0,0,0|3,0,1]=4 95 B17R2.5618 FC(F)c1ccccc1NC2CCCOC2 7a_100000734540_100000693364 [0,0,0,0,0,0|3,0,1]=4 96 B17R2.5618 FC(F)c1ccccc1NC2CCOCC2 7a_100000734540_100000686592 [0,0,0,0,0,0|3,0,1]=4 97 B17R2.5618 FC(F)c1ccccc1NC2CCSCC2 34a_100000734540_100000069128 [0,0,0,0,0,0|3,0,1]=4 98 B17R2.5618 FC(F)c1ccccc1NC2CCSCC2 7a_100000734540_100011500858 [0,0,0,0,0,0|3,0,1]=4 99 B17R2.5618 NC(=O)c1ccccc1NC2CCCCC2 34a_100000185089_100000210327 [0,0,0,0,0,0|1,0,0]=1 100 B17R2.5618 NC(=O)c1ccccc1NC2CCCOC2 34a_100000185089_100000693364 [0,0,0,0,0,0|2,0,0]=2 101 B17R2.5618 NC(=O)c1ccccc1NC2CCSCC2 34a_100000185089_100000069128 [0,0,0,0,0,0|2,0,0]=2 102 B17R2.5618 NC(=O)c1ccccc1OC2C=CCCC2 7a_100000192804_100000751183 [0,0,0,0,0,0|2,0,2]=4 103 B17R2.5618 NC(=O)c1ccccc1OC2CCCCC2 34a_100000192804_100000210327 [0,0,0,0,0,0|2,0,0]=2 104 B17R2.5618 NC(=O)c1ccccc1OC2CCCCC2 7a_100000192804_100000210327 [0,0,0,0,0,0|2,0,0]=2 105 B17R2.5618 NC(=O)c1ccccc1OC2CCCOC2 34a_100000192804_100000693364 [0,0,0,0,0,0|3,0,0]=3 106 B17R2.5618 NC(=O)c1ccccc1OC2CCCOC2 7a_100000192804_100000693364 [0,0,0,0,0,0|3,0,0]=3 107 B17R2.5618 NC(=O)c1ccccc1OC2CCOCC2 7a_100000192804_100000686592 [0,0,0,0,0,0|3,0,0]=3 108 B17R2.5618 NC(=O)c1ccccc1OC2CCSCC2 34a_100000192804_100000069128 [0,0,0,0,0,0|3,0,0]=3 109 B17R2.5618 NC(=O)c1ccccc1OC2CCSCC2 7a_100000192804_100011500858 [0,0,0,0,0,0|3,0,0]=3 110 B17R2.5618 NC(=O)c1ccccc1SC2C=CCCC2 62a_100000162227_100000751183 [0,0,0,0,0,0|2,0,2]=4 111 B17R2.5618 NC(=O)c1ccccc1SC2C=CCCC2 62a_100000751183_100000162227 [0,0,0,0,0,0|2,0,2]=4 112 B17R2.5618 NC(=O)c1ccccc1SC2CCCCC2 62a_100000162227_100000210327 [0,0,0,0,0,0|2,0,0]=2 113 B17R2.5618 NC(=O)c1ccccc1SC2CCCCC2 62a_100000210327_100000162227 [0,0,0,0,0,0|2,0,0]=2 114 B17R2.5618 NC(=O)c1ccccc1SC2CCCOC2 62a_100000162227_100000693364 [0,0,0,0,0,0|3,0,0]=3 115 B17R2.5618 NC(=O)c1ccccc1SC2CCOCC2 62a_100000162227_100011324220 [0,0,0,0,0,0|3,0,0]=3 116 B17R2.5618 NC(=O)c1ccccc1SC2CCSCC2 62a_100000162227_100000069128 [0,0,0,0,0,0|3,0,0]=3 117 B17R2.5618 NC(=O)c1cccnc1NC2CCCCC2 27a_100000182618_100000162199 [0,0,0,0,0,0|2,0,0]=2 118 B17R2.5618 NC(=O)c1cccnc1NC2CCCOC2 27a_100000719290_100000162199 [0,0,0,0,0,0|3,0,0]=3 119 B17R2.5618 NC(=O)c1cccnc1NC2CCOCC2 27a_100000741149_100000162199 [0,0,0,0,0,0|3,0,0]=3 120 B17R2.5618 NC(=O)c1cccnc1NC2CCSCC2 27a_100000748639_100000162199 [0,0,0,0,0,0|3,0,0]=3 121 B17R2.5618 NC(=O)c1cccnc1SC2CCCCC2 62a_100000162199_100000210327 [0,0,0,0,0,0|3,0,0]=3 122 B17R2.5618 NC(=O)c1cccnc1SC2CCCCC2 62a_100000210327_100000162199 [0,0,0,0,0,0|3,0,0]=3 123 B17R2.5618 NC(=O)c1cccnc1SC2CCCOC2 62a_100000162199_100000693364 [0,0,0,0,0,0|4,0,0]=4 124 B17R2.5618 NC(=O)c1cccnc1SC2CCOCC2 62a_100000162199_100011324220 [0,0,0,0,0,0|4,0,0]=4 125 B17R2.5618 NC(=O)c1cccnc1SC2CCSCC2 62a_100000162199_100000069128 [0,0,0,0,0,0|4,0,0]=4 126 B17R2.5618 NC(=O)c1ccncc1OC2CCCCC2 7a_100012022987_100000210327 [0,0,0,0,0,0|3,0,0]=3 127 B17R2.5618 NC(=O)c1ccncc1OC2CCCOC2 7a_100012022987_100000693364 [0,0,0,0,0,0|4,0,0]=4 128 B17R2.5618 NC(=O)c1ccncc1OC2CCOCC2 7a_100012022987_100000686592 [0,0,0,0,0,0|4,0,0]=4 129 B17R2.5618 NC(=O)c1ccncc1OC2CCSCC2 7a_100012022987_100011500858 [0,0,0,0,0,0|4,0,0]=4 130 B17R2.5618 NC(=O)c1ccncc1SC2CCCCC2 62a_100000210327_100010205435 [0,0,0,0,0,0|3,0,0]=3 131 B17R2.5618 NC(=O)c1ccncc1SC2CCCCC2 62a_100010205435_100000210327 [0,0,0,0,0,0|3,0,0]=3 132 B17R2.5618 NC(=O)c1ccncc1SC2CCCOC2 62a_100010205435_100000693364 [0,0,0,0,0,0|4,0,0]=4 133 B17R2.5618 NC(=O)c1ccncc1SC2CCOCC2 62a_100010205435_100011324220 [0,0,0,0,0,0|4,0,0]=4 134 B17R2.5618 NC(=O)c1ccncc1SC2CCSCC2 62a_100010205435_100000069128 [0,0,0,0,0,0|4,0,0]=4 135 B17R2.5618 NC(=O)c1cnccc1NC2CCCCC2 27a_100000182618_100000697804 [0,0,0,0,0,0|2,0,0]=2 136 B17R2.5618 NC(=O)c1cnccc1NC2CCCOC2 27a_100000719290_100000697804 [0,0,0,0,0,0|3,0,0]=3 137 B17R2.5618 NC(=O)c1cnccc1NC2CCOCC2 27a_100000741149_100000697804 [0,0,0,0,0,0|3,0,0]=3 138 B17R2.5618 NC(=O)c1cnccc1NC2CCSCC2 27a_100000748639_100000697804 [0,0,0,0,0,0|3,0,0]=3 139 B17R2.5618 NC(=O)c1cnccc1OC2CCCCC2 34a_200011998761_100000210327 [0,0,0,0,0,0|3,0,0]=3 140 B17R2.5618 NC(=O)c1cnccc1OC2CCCOC2 34a_200011998761_100000693364 [0,0,0,0,0,0|4,0,0]=4 141 B17R2.5618 NC(=O)c1cnccc1OC2CCSCC2 34a_200011998761_100000069128 [0,0,0,0,0,0|4,0,0]=4 142 B17R2.5618 NC(=O)c1cnccc1SC2CCCCC2 62a_100000210327_100000697804 [0,0,0,0,0,0|3,0,0]=3 143 B17R2.5618 NC(=O)c1cnccc1SC2CCCCC2 62a_100000697804_100000210327 [0,0,0,0,0,0|3,0,0]=3 144 B17R2.5618 NC(=O)c1cnccc1SC2CCCOC2 62a_100000697804_100000693364 [0,0,0,0,0,0|4,0,0]=4 145 B17R2.5618 NC(=O)c1cnccc1SC2CCOCC2 62a_100000697804_100011324220 [0,0,0,0,0,0|4,0,0]=4 146 B17R2.5618 NC(=O)c1cnccc1SC2CCSCC2 62a_100000697804_100000069128 [0,0,0,0,0,0|4,0,0]=4 147 B17R2.5618 NC(=O)c1ncccc1NC2CCCCC2 27a_100000182618_200012359670 [0,0,0,0,0,0|2,0,0]=2 148 B17R2.5618 NC(=O)c1ncccc1NC2CCCOC2 27a_100000719290_200012359670 [0,0,0,0,0,0|3,0,0]=3 149 B17R2.5618 NC(=O)c1ncccc1NC2CCOCC2 27a_100000741149_200012359670 [0,0,0,0,0,0|3,0,0]=3 150 B17R2.5618 NC(=O)c1ncccc1NC2CCSCC2 27a_100000748639_200012359670 [0,0,0,0,0,0|3,0,0]=3 151 B17R2.5618 NC(=O)c1ncccc1OC2CCCCC2 34a_200011215183_100000210327 [0,0,0,0,0,0|3,0,0]=3 152 B17R2.5618 NC(=O)c1ncccc1OC2CCCCC2 7a_200011215183_100000210327 [0,0,0,0,0,0|3,0,0]=3 153 B17R2.5618 NC(=O)c1ncccc1OC2CCCOC2 34a_200011215183_100000693364 [0,0,0,0,0,0|4,0,0]=4 154 B17R2.5618 NC(=O)c1ncccc1OC2CCCOC2 7a_200011215183_100000693364 [0,0,0,0,0,0|4,0,0]=4 155 B17R2.5618 NC(=O)c1ncccc1OC2CCOCC2 7a_200011215183_100000686592 [0,0,0,0,0,0|4,0,0]=4 156 B17R2.5618 NC(=O)c1ncccc1OC2CCSCC2 34a_200011215183_100000069128 [0,0,0,0,0,0|4,0,0]=4 157 B17R2.5618 NC(=O)c1ncccc1OC2CCSCC2 7a_200011215183_100011500858 [0,0,0,0,0,0|4,0,0]=4 158 B17R2.5618 NC(=O)c1ncccc1SC2CCCCC2 62a_100000210327_200012359670 [0,0,0,0,0,0|3,0,0]=3 159 B17R2.5618 NC(=O)c1ncccc1SC2CCCCC2 62a_200012359670_100000210327 [0,0,0,0,0,0|3,0,0]=3 160 B17R2.5618 NC(=O)c1ncccc1SC2CCCOC2 62a_200012359670_100000693364 [0,0,0,0,0,0|4,0,0]=4 161 B17R2.5618 NC(=O)c1ncccc1SC2CCOCC2 62a_200012359670_100011324220 [0,0,0,0,0,0|4,0,0]=4 162 B17R2.5618 NC(=O)c1ncccc1SC2CCSCC2 62a_200012359670_100000069128 [0,0,0,0,0,0|4,0,0]=4 163 B17R2.5618 NC(=O)c1nccnc1NC2CCCCC2 27a_100000182618_100000094861 [0,0,0,0,0,0|3,0,0]=3 164 B17R2.5618 NC(=O)c1nccnc1NC2CCCOC2 27a_100000719290_100000094861 [0,0,0,0,0,0|4,0,0]=4 165 B17R2.5618 NC(=O)c1nccnc1NC2CCOCC2 27a_100000741149_100000094861 [0,0,0,0,0,0|4,0,0]=4 166 B17R2.5618 NC(=O)c1nccnc1NC2CCSCC2 27a_100000748639_100000094861 [0,0,0,0,0,0|4,0,0]=4 167 B17R2.5618 NC(=O)c1nccnc1OC2CCCCC2 34a_100011830332_100000210327 [0,0,0,0,0,0|4,0,0]=4 168 B17R2.5618 NC(=O)c1nccnc1SC2CCCCC2 62a_100000094861_100000210327 [0,0,0,0,0,0|4,0,0]=4 169 B17R2.5618 NC(=O)c1nccnc1SC2CCCCC2 62a_100000210327_100000094861 [0,0,0,0,0,0|4,0,0]=4 170 B17R2.5618 NC(=S)c1ccccc1OC2CCCCC2 7a_100000745089_100000210327 [0,0,0,0,0,0|2,1,0]=3 171 B17R2.5618 NC(=S)c1ccccc1OC2CCCOC2 7a_100000745089_100000693364 [0,0,0,0,0,0|3,1,0]=4 172 B17R2.5618 NC(=S)c1ccccc1OC2CCOCC2 7a_100000745089_100000686592 [0,0,0,0,0,0|3,1,0]=4 173 B17R2.5618 NC(=S)c1ccccc1OC2CCSCC2 7a_100000745089_100011500858 [0,0,0,0,0,0|3,1,0]=4 174 B17R2.5618 O=C(O)c1ccccc1SC2C=CCCC2 62a_100000751183_100000734275 [0,0,0,0,0,0|1,0,2]=3 175 B17R2.5618 O=C(O)c1ccccc1SC2C=CCCC2 62a_202125556159_100000751183 [0,0,0,0,0,0|1,0,2]=3 176 B17R2.5618 O=C(O)c1ccccc1SC2CCCCC2 62a_100000210327_100000734275 [0,0,0,0,0,0|1,0,0]=1 177 B17R2.5618 O=C(O)c1ccccc1SC2CCCCC2 62a_202125556159_100000210327 [0,0,0,0,0,0|1,0,0]=1 178 B17R2.5618 O=C(O)c1ccccc1SC2CCCOC2 62a_202125556159_100000693364 [0,0,0,0,0,0|2,0,0]=2 179 B17R2.5618 O=C(O)c1ccccc1SC2CCOCC2 62a_202125556159_100011324220 [0,0,0,0,0,0|2,0,0]=2 180 B17R2.5618 O=C(O)c1ccccc1SC2CCSCC2 62a_202125556159_100000069128 [0,0,0,0,0,0|2,0,0]=2 181 B17R2.5618 O=C([O-])c1ccccc1OC2C=CCCC2 7a_100015234032_100000751183 [0,0,0,0,0,0|1,0,3]=4 182 B17R2.5618 O=C([O-])c1ccccc1OC2CCCCC2 7a_100015234032_100000210327 [0,0,0,0,0,0|1,0,1]=2 183 B17R2.5618 O=C([O-])c1ccccc1OC2CCCOC2 7a_100015234032_100000693364 [0,0,0,0,0,0|2,0,1]=3 184 B17R2.5618 O=C([O-])c1ccccc1OC2CCOCC2 7a_100015234032_100000686592 [0,0,0,0,0,0|2,0,1]=3 185 B17R2.5618 O=C([O-])c1ccccc1OC2CCSCC2 7a_100015234032_100011500858 [0,0,0,0,0,0|2,0,1]=3 186 B17R2.5618 O=[N+]([O-])c1ccccc1OC2CCCCC2 34a_100000186319_100000210327 [0,0,0,0,0,0|2,0,1]=3 187 B17R2.5618 O=[N+]([O-])c1ccccc1OC2CCCCC2 7a_100000186319_100000210327 [0,0,0,0,0,0|2,0,1]=3 188 B17R2.5618 O=[N+]([O-])c1ccccc1OC2CCCOC2 34a_100000186319_100000693364 [0,0,0,0,0,0|3,0,1]=4 189 B17R2.5618 O=[N+]([O-])c1ccccc1OC2CCCOC2 7a_100000186319_100000693364 [0,0,0,0,0,0|3,0,1]=4 190 B17R2.5618 O=[N+]([O-])c1ccccc1OC2CCOCC2 7a_100000186319_100000686592 [0,0,0,0,0,0|3,0,1]=4 191 B17R2.5618 O=[N+]([O-])c1ccccc1OC2CCSCC2 34a_100000186319_100000069128 [0,0,0,0,0,0|3,0,1]=4 192 B17R2.5618 O=[N+]([O-])c1ccccc1OC2CCSCC2 7a_100000186319_100011500858 [0,0,0,0,0,0|3,0,1]=4 193 B17R2.5618 O=[N+]([O-])c1ncccc1OC2CCCCC2 7a_100000183951_100000210327 [0,0,0,0,0,0|3,0,1]=4 194 B17R2.5618 OB(O)c1ccccc1SC2CCCCC2 62a_100000210327_100000693059 [0,0,0,0,0,0|2,0,1]=3 195 B17R2.5618 OB(O)c1ccccc1SC2CCCCC2 62a_100000693059_100000210327 [0,0,0,0,0,0|2,0,1]=3 196 B17R2.5618 OB(O)c1ccccc1SC2CCCOC2 62a_100000693059_100000693364 [0,0,0,0,0,0|3,0,1]=4 197 B17R2.5618 OB(O)c1ccccc1SC2CCOCC2 62a_100000693059_100011324220 [0,0,0,0,0,0|3,0,1]=4 198 B17R2.5618 OB(O)c1ccccc1SC2CCSCC2 62a_100000693059_100000069128 [0,0,0,0,0,0|3,0,1]=4 199 B17R2.5618 OB(O)c1cccnc1SC2CCCCC2 62a_100000047247_100000210327 [0,0,0,0,0,0|3,0,1]=4 200 B17R2.5618 OB(O)c1cccnc1SC2CCCCC2 62a_100000210327_100000047247 [0,0,0,0,0,0|3,0,1]=4 201 B17R2.5618 OB(O)c1ccncc1SC2CCCCC2 62a_100000210327_200010176179 [0,0,0,0,0,0|3,0,1]=4 202 B17R2.5618 OB(O)c1ccncc1SC2CCCCC2 62a_200010176179_100000210327 [0,0,0,0,0,0|3,0,1]=4 203 B17R2.5618 [13CH3]C(=O)c1ccccc1CN2CCCCC2 1458a_100011301541_200025704644 [0,0,0,0,0,0|3,0,0]=3 204 B17R2.5618 [13CH3]C(=O)c1ccccc1CN2CCOCC2 1458a_100000758575_200025704644 [0,0,0,0,0,0|4,0,0]=4 205 B16R2.172 C#Cc1ccccc1NC2CCCCC2 34a_100011470550_100000210327 [1,0,0,0,0,0|1,0,1]=3 206 B16R2.172 C#Cc1ccccc1NC2CCCOC2 34a_100011470550_100000693364 [1,0,0,0,0,0|2,0,1]=4 207 B16R2.172 C#Cc1ccccc1NC2CCSCC2 34a_100011470550_100000069128 [1,0,0,0,0,0|2,0,1]=4 208 B16R2.172 C#Cc1ccccc1OC2CCCCC2 34a_200011470546_100000210327 [1,0,0,0,0,0|2,0,1]=4 209 B16R2.172 C#Cc1ccccc1OC2CCCCC2 7a_200011470546_100000210327 [1,0,0,0,0,0|2,0,1]=4 210 B16R2.172 C=Cc1ccccc1CN2CCCCC2 271570a_100011290941_100000174427 [1,0,0,0,0,0|3,0,0]=4 211 B16R2.172 C=Cc1ccccc1NC2CCCCC2 34a_100012022501_100000210327 [1,0,0,0,0,0|1,0,0]=2 212 B16R2.172 C=Cc1ccccc1NC2CCCOC2 34a_100012022501_100000693364 [1,0,0,0,0,0|2,0,0]=3 213 B16R2.172 C=Cc1ccccc1NC2CCSCC2 34a_100012022501_100000069128 [1,0,0,0,0,0|2,0,0]=3 214 B16R2.172 C=Cc1ccccc1OC2CCCCC2 271570a_100011290941_200011235867 [1,0,0,0,0,0|2,0,0]=3 215 B16R2.172 C=Cc1ccccc1SC2CCCCC2 62a_100000210327_100011218376 [1,0,0,0,0,0|2,0,0]=3 216 B16R2.172 C=Cc1ccccc1SC2CCCCC2 62a_100011218376_100000210327 [1,0,0,0,0,0|2,0,0]=3 217 B16R2.172 C=Cc1ccccc1SC2CCCOC2 62a_100011218376_100000693364 [1,0,0,0,0,0|3,0,0]=4 218 B16R2.172 C=Cc1ccccc1SC2CCOCC2 62a_100011218376_100011324220 [1,0,0,0,0,0|3,0,0]=4 219 B16R2.172 C=Cc1ccccc1SC2CCSCC2 62a_100011218376_100000069128 [1,0,0,0,0,0|3,0,0]=4 220 B16R2.172 CCc1ccccc1NC2CCCCC2 34a_100000212081_100000210327 [1,0,0,0,0,0|1,0,1]=3 221 B16R2.172 CCc1ccccc1NC2CCCCC2 7a_100000212081_100000210327 [1,0,0,0,0,0|1,0,1]=3 222 B16R2.172 CCc1ccccc1NC2CCCOC2 34a_100000212081_100000693364 [1,0,0,0,0,0|2,0,1]=4 223 B16R2.172 CCc1ccccc1NC2CCCOC2 7a_100000212081_100000693364 [1,0,0,0,0,0|2,0,1]=4 224 B16R2.172 CCc1ccccc1NC2CCOCC2 7a_100000212081_100000686592 [1,0,0,0,0,0|2,0,1]=4 225 B16R2.172 CCc1ccccc1NC2CCSCC2 34a_100000212081_100000069128 [1,0,0,0,0,0|2,0,1]=4 226 B16R2.172 CCc1ccccc1NC2CCSCC2 7a_100000212081_100011500858 [1,0,0,0,0,0|2,0,1]=4 227 B16R2.172 CCc1ccccc1OC2CCCCC2 34a_100000210936_100000210327 [1,0,0,0,0,0|2,0,1]=4 228 B16R2.172 CCc1ccccc1OC2CCCCC2 7a_100000210936_100000210327 [1,0,0,0,0,0|2,0,1]=4 229 B16R2.172 CCc1ccccc1SC2CCCCC2 62a_100000210327_100011215823 [1,0,0,0,0,0|2,0,1]=4 230 B16R2.172 CCc1ccccc1SC2CCCCC2 62a_100011215823_100000210327 [1,0,0,0,0,0|2,0,1]=4 231 B16R2.172 CNc1ccccc1OC2CCCCC2 34a_100000033821_100000210327 [1,0,0,0,0,0|3,0,0]=4 232 B16R2.172 CNc1ccccc1SC2CCCCC2 34a_100011235873_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B16R2.172 CNc1ccccc1SC2CCCCC2 62a_100000210327_100020606079 [1,0,0,0,0,0|3,0,0]=4 234 B16R2.172 CNc1ccccc1SC2CCCCC2 62a_100020606079_100000210327 [1,0,0,0,0,0|3,0,0]=4 235 B16R2.172 CNc1ccccc1SC2CCCCC2 7a_100011235873_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B16R2.172 COc1ccccc1CC2CCCCC2 34a_200009881200_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B16R2.172 COc1ccccc1CC2CCCCC2 7a_200009881200_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B16R2.172 COc1ccccc1NC2CCCCC2 34a_100000210025_100000210327 [1,0,0,0,0,0|2,0,0]=3 239 B16R2.172 COc1ccccc1NC2CCCOC2 34a_100000210025_100000693364 [1,0,0,0,0,0|3,0,0]=4 240 B16R2.172 COc1ccccc1NC2CCSCC2 34a_100000210025_100000069128 [1,0,0,0,0,0|3,0,0]=4 241 B16R2.172 COc1ccccc1OC2CCCCC2 34a_100000210385_100000210327 [1,0,0,0,0,0|3,0,0]=4 242 B16R2.172 COc1ccccc1SC2CCCCC2 62a_100000210327_100000210334 [1,0,0,0,0,0|3,0,0]=4 243 B16R2.172 COc1ccccc1SC2CCCCC2 62a_100000210334_100000210327 [1,0,0,0,0,0|3,0,0]=4 244 B16R2.172 CSc1ccccc1NC2CCCCC2 34a_100000211160_100000210327 [1,0,0,0,0,0|2,0,0]=3 245 B16R2.172 CSc1ccccc1NC2CCCOC2 34a_100000211160_100000693364 [1,0,0,0,0,0|3,0,0]=4 246 B16R2.172 CSc1ccccc1NC2CCSCC2 34a_100000211160_100000069128 [1,0,0,0,0,0|3,0,0]=4 247 B16R2.172 CSc1ccccc1OC2CCCCC2 34a_100011216402_100000210327 [1,0,0,0,0,0|3,0,0]=4 248 B16R2.172 CSc1ccccc1OC2CCCCC2 62a_200000210301_200011235867 [1,0,0,0,0,0|3,0,0]=4 249 B16R2.172 CSc1ccccc1OC2CCCCC2 62a_200011235867_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B16R2.172 CSc1ccccc1SC2CCCCC2 62a_100000210327_100011217816 [1,0,0,0,0,0|3,0,0]=4 251 B16R2.172 CSc1ccccc1SC2CCCCC2 62a_100011217816_100000210327 [1,0,0,0,0,0|3,0,0]=4 252 B16R2.172 N#Cc1ccccc1NC2CCCCC2 34a_100000211148_100000210327 [1,0,0,0,0,0|1,0,1]=3 253 B16R2.172 N#Cc1ccccc1NC2CCCOC2 34a_100000211148_100000693364 [1,0,0,0,0,0|2,0,1]=4 254 B16R2.172 N#Cc1ccccc1NC2CCSCC2 34a_100000211148_100000069128 [1,0,0,0,0,0|2,0,1]=4 255 B16R2.172 N#Cc1ccccc1OC2CCCCC2 34a_100000211048_100000210327 [1,0,0,0,0,0|2,0,1]=4 256 B16R2.172 N#Cc1ccccc1OC2CCCCC2 7a_100000211048_100000210327 [1,0,0,0,0,0|2,0,1]=4 257 B16R2.172 N#Cc1ccccc1SC2CCCCC2 62a_100000210327_100000188569 [1,0,0,0,0,0|2,0,1]=4 258 B16R2.172 N#Cc1cccnc1NC2CCCCC2 27a_100000182618_100000211984 [1,0,0,0,0,0|2,0,1]=4 259 B16R2.172 N#Cc1ccncc1NC2CCCCC2 27a_100000182618_100000684818 [1,0,0,0,0,0|2,0,1]=4 260 B16R2.172 N#Cc1cnccc1NC2CCCCC2 27a_100000182618_100000687039 [1,0,0,0,0,0|2,0,1]=4 261 B16R2.172 NCc1ccccc1OC2CCCCC2 34a_100000185550_100000210327 [1,0,0,0,0,0|2,0,1]=4 262 B16R2.172 NCc1ccccc1SC2CCCCC2 62a_100000210327_100000689332 [1,0,0,0,0,0|2,0,1]=4 263 B16R2.172 NCc1ccccc1SC2CCCCC2 62a_100000689332_100000210327 [1,0,0,0,0,0|2,0,1]=4 264 B16R2.172 NNc1ccccc1SC2CCCCC2 62a_100000210327_100000241748 [1,0,0,0,0,0|3,0,0]=4 265 B16R2.172 NNc1ccccc1SC2CCCCC2 62a_100000241748_100000210327 [1,0,0,0,0,0|3,0,0]=4 266 B16R2.172 O=Cc1ccccc1CN2CCCOC2 2230a_100000131196_200009853537 [1,0,0,0,0,0|3,0,0]=4 267 B16R2.172 O=Cc1ccccc1CN2CCCOC2 269982a_100000131196_200009853537 [1,0,0,0,0,0|3,0,0]=4 268 B16R2.172 O=Cc1ccccc1CN2CCCOC2 34a_100000131196_200009853537 [1,0,0,0,0,0|3,0,0]=4 269 B16R2.172 O=Cc1ccccc1CN2CCOCC2 2230a_100015191051_200009853537 [1,0,0,0,0,0|3,0,0]=4 270 B16R2.172 O=Cc1ccccc1CN2CCOCC2 269982a_100015191051_200009853537 [1,0,0,0,0,0|3,0,0]=4 271 B16R2.172 O=Cc1ccccc1CN2CCOCC2 34a_100015191051_200009853537 [1,0,0,0,0,0|3,0,0]=4 272 B16R2.172 O=Cc1ccccc1CN2CCSCC2 2230a_100000737611_200009853537 [1,0,0,0,0,0|3,0,0]=4 273 B16R2.172 O=Cc1ccccc1CN2CCSCC2 269982a_100000737611_200009853537 [1,0,0,0,0,0|3,0,0]=4 274 B16R2.172 O=Cc1ccccc1SC2C=CCCC2 62a_100000210073_100000751183 [1,0,0,0,0,0|1,0,2]=4 275 B16R2.172 O=Cc1ccccc1SC2C=CCCC2 62a_100000751183_100000210073 [1,0,0,0,0,0|1,0,2]=4 276 B16R2.172 O=Cc1ccccc1SC2CCCCC2 62a_100000210073_100000210327 [1,0,0,0,0,0|1,0,0]=2 277 B16R2.172 O=Cc1ccccc1SC2CCCCC2 62a_100000210327_100000210073 [1,0,0,0,0,0|1,0,0]=2 278 B16R2.172 O=Cc1ccccc1SC2CCCOC2 62a_100000210073_100000693364 [1,0,0,0,0,0|2,0,0]=3 279 B16R2.172 O=Cc1ccccc1SC2CCOCC2 62a_100000210073_100011324220 [1,0,0,0,0,0|2,0,0]=3 280 B16R2.172 O=Cc1ccccc1SC2CCSCC2 62a_100000210073_100000069128 [1,0,0,0,0,0|2,0,0]=3 281 B16R2.172 O=Cc1cccnc1SC2CCCCC2 62a_100000210327_100009816751 [1,0,0,0,0,0|2,0,0]=3 282 B16R2.172 O=Cc1cccnc1SC2CCCCC2 62a_100009816751_100000210327 [1,0,0,0,0,0|2,0,0]=3 283 B16R2.172 O=Cc1cccnc1SC2CCCOC2 62a_100009816751_100000693364 [1,0,0,0,0,0|3,0,0]=4 284 B16R2.172 O=Cc1cccnc1SC2CCOCC2 62a_100009816751_100011324220 [1,0,0,0,0,0|3,0,0]=4 285 B16R2.172 O=Cc1cccnc1SC2CCSCC2 62a_100009816751_100000069128 [1,0,0,0,0,0|3,0,0]=4 286 B16R2.172 O=Cc1ccncc1SC2CCCCC2 62a_100000210327_100011934409 [1,0,0,0,0,0|2,0,0]=3 287 B16R2.172 O=Cc1ccncc1SC2CCCCC2 62a_100011934409_100000210327 [1,0,0,0,0,0|2,0,0]=3 288 B16R2.172 O=Cc1ccncc1SC2CCCOC2 62a_100011934409_100000693364 [1,0,0,0,0,0|3,0,0]=4 289 B16R2.172 O=Cc1ccncc1SC2CCOCC2 62a_100011934409_100011324220 [1,0,0,0,0,0|3,0,0]=4 290 B16R2.172 O=Cc1ccncc1SC2CCSCC2 62a_100011934409_100000069128 [1,0,0,0,0,0|3,0,0]=4 291 B16R2.172 O=Cc1cnccc1SC2CCCCC2 62a_100000050567_100000210327 [1,0,0,0,0,0|2,0,0]=3 292 B16R2.172 O=Cc1cnccc1SC2CCCCC2 62a_100000210327_100000050567 [1,0,0,0,0,0|2,0,0]=3 293 B16R2.172 O=Cc1cnccc1SC2CCCOC2 62a_100000050567_100000693364 [1,0,0,0,0,0|3,0,0]=4 294 B16R2.172 O=Cc1cnccc1SC2CCOCC2 62a_100000050567_100011324220 [1,0,0,0,0,0|3,0,0]=4 295 B16R2.172 O=Cc1cnccc1SC2CCSCC2 62a_100000050567_100000069128 [1,0,0,0,0,0|3,0,0]=4 296 B16R2.172 O=Cc1ncccc1SC2CCCCC2 62a_100000210327_100011934733 [1,0,0,0,0,0|2,0,0]=3 297 B16R2.172 O=Cc1ncccc1SC2CCCCC2 62a_100011934733_100000210327 [1,0,0,0,0,0|2,0,0]=3 298 B16R2.172 O=Cc1ncccc1SC2CCCOC2 62a_100011934733_100000693364 [1,0,0,0,0,0|3,0,0]=4 299 B16R2.172 O=Cc1ncccc1SC2CCOCC2 62a_100011934733_100011324220 [1,0,0,0,0,0|3,0,0]=4 300 B16R2.172 O=Cc1ncccc1SC2CCSCC2 62a_100011934733_100000069128 [1,0,0,0,0,0|3,0,0]=4 301 B16R2.172 O=Cc1nccnc1SC2CCCCC2 62a_100000051000_100000210327 [1,0,0,0,0,0|3,0,0]=4 302 B16R2.172 O=Cc1nccnc1SC2CCCCC2 62a_100000210327_100000051000 [1,0,0,0,0,0|3,0,0]=4 303 B16R2.172 OCc1ccccc1NC2CCCCC2 34a_100000212039_100000210327 [1,0,0,0,0,0|0,0,1]=2 304 B16R2.172 OCc1ccccc1NC2CCCOC2 34a_100000212039_100000693364 [1,0,0,0,0,0|1,0,1]=3 305 B16R2.172 OCc1ccccc1NC2CCSCC2 34a_100000212039_100000069128 [1,0,0,0,0,0|1,0,1]=3 306 B16R2.172 OCc1ccccc1OC2CCCCC2 34a_100011216872_100000210327 [1,0,0,0,0,0|1,0,1]=3 307 B16R2.172 OCc1ccccc1OC2CCCOC2 34a_100011216872_100000693364 [1,0,0,0,0,0|2,0,1]=4 308 B16R2.172 OCc1ccccc1OC2CCSCC2 34a_100011216872_100000069128 [1,0,0,0,0,0|2,0,1]=4 309 B16R2.172 OCc1ccccc1SC2CCCCC2 62a_100000187465_100000210327 [1,0,0,0,0,0|1,0,1]=3 310 B16R2.172 OCc1ccccc1SC2CCCCC2 62a_100000210327_100000187465 [1,0,0,0,0,0|1,0,1]=3 311 B16R2.172 OCc1ccccc1SC2CCCOC2 62a_100000187465_100000693364 [1,0,0,0,0,0|2,0,1]=4 312 B16R2.172 OCc1ccccc1SC2CCOCC2 62a_100000187465_100011324220 [1,0,0,0,0,0|2,0,1]=4 313 B16R2.172 OCc1ccccc1SC2CCSCC2 62a_100000187465_100000069128 [1,0,0,0,0,0|2,0,1]=4 314 B16R2.172 OCc1cccnc1SC2CCCCC2 62a_100000210327_100000748726 [1,0,0,0,0,0|2,0,1]=4 315 B16R2.172 OCc1cccnc1SC2CCCCC2 62a_100000748726_100000210327 [1,0,0,0,0,0|2,0,1]=4 316 B16R2.172 OCc1ccncc1OC2CCCCC2 34a_100000078615_100000210327 [1,0,0,0,0,0|2,0,1]=4 317 B16R2.172 OCc1ccncc1SC2CCCCC2 62a_100000210327_100009873359 [1,0,0,0,0,0|2,0,1]=4 318 B16R2.172 OCc1ccncc1SC2CCCCC2 62a_100009873359_100000210327 [1,0,0,0,0,0|2,0,1]=4 319 B16R2.172 OCc1cnccc1NC2CCCCC2 27a_100000182618_100000117392 [1,0,0,0,0,0|1,0,1]=3 320 B16R2.172 OCc1cnccc1NC2CCCOC2 27a_100000719290_100000117392 [1,0,0,0,0,0|2,0,1]=4 321 B16R2.172 OCc1cnccc1NC2CCOCC2 27a_100000741149_100000117392 [1,0,0,0,0,0|2,0,1]=4 322 B16R2.172 OCc1cnccc1NC2CCSCC2 27a_100000748639_100000117392 [1,0,0,0,0,0|2,0,1]=4 323 B16R2.172 OCc1cnccc1SC2CCCCC2 62a_100000117392_100000210327 [1,0,0,0,0,0|2,0,1]=4 324 B16R2.172 OCc1cnccc1SC2CCCCC2 62a_100000210327_100000117392 [1,0,0,0,0,0|2,0,1]=4 325 B16R2.172 OCc1ncccc1OC2CCCCC2 34a_100000731849_100000210327 [1,0,0,0,0,0|2,0,1]=4 326 B16R2.172 OCc1ncccc1SC2CCCCC2 62a_100000210327_100011996772 [1,0,0,0,0,0|2,0,1]=4 327 B16R2.172 OCc1ncccc1SC2CCCCC2 62a_100011996772_100000210327 [1,0,0,0,0,0|2,0,1]=4 328 B16R2.172 [13CH3]Nc1ccccc1SC2CCCCC2 34a_100011235873_200025704644 [1,0,0,0,0,0|3,0,0]=4 329 B16R2.172 [13CH3]Nc1ccccc1SC2CCCCC2 7a_100011235873_200025704644 [1,0,0,0,0,0|3,0,0]=4 330 B16R2.172 [13CH3]Oc1ccccc1CC2CCCCC2 34a_200009881200_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B16R2.172 [13CH3]Oc1ccccc1CC2CCCCC2 7a_200009881200_200025704644 [1,0,0,0,0,0|3,0,0]=4 332 B16R2.172 [13CH3]Sc1ccccc1OC2CCCCC2 62a_200011235867_200025704644 [1,0,0,0,0,0|3,0,0]=4 333 B16R2.172 [13CH3]Sc1ccccc1OC2CCCCC2 62a_200025704644_200011235867 [1,0,0,0,0,0|3,0,0]=4 334 B18R2.3764 C=C(C)c1ccccc1NC2CCC(CC2)C 34a_100000037685_200011216234 [0,1,0,0,0,0|2,0,0]=3 335 B18R2.3764 CC(=O)c1ccccc1SC2CCC(CC2)C 62a_100000751169_200011216234 [0,1,0,0,0,0|2,0,0]=3 336 B18R2.3764 CC(=O)c1ccccc1SC2CCN(CC2)C 62a_100000751169_100011215917 [0,1,0,0,0,0|3,0,0]=4 337 B18R2.3764 CC(=O)c1cccnc1NC2CCN(CC2)C 27a_100000198570_100009816689 [0,1,0,0,0,0|3,0,0]=4 338 B18R2.3764 CC(=O)c1cccnc1N[C@H]2CC[C@@H](CC2)C 27a_100020625639_100009816689 [0,1,0,0,0,0|2,0,0]=3 339 B18R2.3764 CC(=O)c1cccnc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100009816689 [0,1,0,0,0,0|2,0,0]=3 340 B18R2.3764 CC(=O)c1cccnc1SC2CCC(CC2)C 62a_100000753718_200011216234 [0,1,0,0,0,0|3,0,0]=4 341 B18R2.3764 CC(=O)c1ccncc1SC2CCC(CC2)C 62a_100009993184_200011216234 [0,1,0,0,0,0|3,0,0]=4 342 B18R2.3764 CC(=O)c1cnccc1NC2CCN(CC2)C 27a_100000198570_100160469449 [0,1,0,0,0,0|3,0,0]=4 343 B18R2.3764 CC(=O)c1cnccc1N[C@H]2CC[C@@H](CC2)C 27a_100020625639_100160469449 [0,1,0,0,0,0|2,0,0]=3 344 B18R2.3764 CC(=O)c1cnccc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100160469449 [0,1,0,0,0,0|2,0,0]=3 345 B18R2.3764 CC(=O)c1cnccc1SC2CCC(CC2)C 62a_100160469449_200011216234 [0,1,0,0,0,0|3,0,0]=4 346 B18R2.3764 CC(=O)c1ncccc1OC2CCC(CC2)C 34a_100000087166_200011216234 [0,1,0,0,0,0|3,0,0]=4 347 B18R2.3764 CC(=O)c1ncccc1SC2CCC(CC2)C 62a_100012348690_200011216234 [0,1,0,0,0,0|3,0,0]=4 348 B18R2.3764 CC(=O)c1nccnc1N[C@H]2CC[C@@H](CC2)C 27a_100020625639_100000099859 [0,1,0,0,0,0|3,0,0]=4 349 B18R2.3764 CC(=O)c1nccnc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000099859 [0,1,0,0,0,0|3,0,0]=4 350 B18R2.3764 CC1CCC(CC1)Nc2ccccc2C(=O)N 34a_100000185089_200011216234 [0,1,0,0,0,0|1,0,0]=2 351 B18R2.3764 CC1CCC(CC1)Nc2ccccc2C(C)C 34a_100000210643_200011216234 [0,1,0,0,0,0|2,0,1]=4 352 B18R2.3764 CC1CCC(CC1)Nc2ccccc2C(F)F 34a_100000734540_200011216234 [0,1,0,0,0,0|2,0,1]=4 353 B18R2.3764 CC1CCC(CC1)Oc2ccccc2C(=O)N 34a_100000192804_200011216234 [0,1,0,0,0,0|2,0,0]=3 354 B18R2.3764 CC1CCC(CC1)Oc2ccccc2C(C)O 34a_200011232679_200011216234 [0,1,0,0,0,0|2,0,1]=4 355 B18R2.3764 CC1CCC(CC1)Oc2ccccc2[N+](=O)[O-] 34a_100000186319_200011216234 [0,1,0,0,0,0|2,0,1]=4 356 B18R2.3764 CC1CCC(CC1)Oc2cccnc2C(=O)N 34a_200011215183_200011216234 [0,1,0,0,0,0|3,0,0]=4 357 B18R2.3764 CC1CCC(CC1)Oc2ccncc2C(=O)N 34a_200011998761_200011216234 [0,1,0,0,0,0|3,0,0]=4 358 B18R2.3764 CC1CCC(CC1)Sc2ccccc2B(O)O 62a_100000693059_200011216234 [0,1,0,0,0,0|2,0,1]=4 359 B18R2.3764 CC1CCC(CC1)Sc2ccccc2C(=O)N 62a_100000162227_200011216234 [0,1,0,0,0,0|2,0,0]=3 360 B18R2.3764 CC1CCC(CC1)Sc2ccccc2C(=O)O 62a_202125556159_200011216234 [0,1,0,0,0,0|1,0,0]=2 361 B18R2.3764 CC1CCC(CC1)Sc2ccccc2C(C)O 62a_100000702211_200011216234 [0,1,0,0,0,0|2,0,1]=4 362 B18R2.3764 CC1CCC(CC1)Sc2ccccc2S(=O)C 62a_100000734199_200011216234 [0,1,0,0,0,0|3,0,0]=4 363 B18R2.3764 CC1CCC(CC1)Sc2cccnc2C(=O)N 62a_200012359670_200011216234 [0,1,0,0,0,0|3,0,0]=4 364 B18R2.3764 CC1CCC(CC1)Sc2ccncc2C(=O)N 62a_100000697804_200011216234 [0,1,0,0,0,0|3,0,0]=4 365 B18R2.3764 CC1CCC(CC1)Sc2cnccc2C(=O)N 62a_100010205435_200011216234 [0,1,0,0,0,0|3,0,0]=4 366 B18R2.3764 CC1CCC(CC1)Sc2ncccc2C(=O)N 62a_100000162199_200011216234 [0,1,0,0,0,0|3,0,0]=4 367 B18R2.3764 CN1CCC(CC1)Nc2cccnc2C(=O)N 27a_100000198570_200012359670 [0,1,0,0,0,0|3,0,0]=4 368 B18R2.3764 CN1CCC(CC1)Nc2ccncc2C(=O)N 27a_100000198570_100000697804 [0,1,0,0,0,0|3,0,0]=4 369 B18R2.3764 CN1CCC(CC1)Nc2ncccc2C(=O)N 27a_100000198570_100000162199 [0,1,0,0,0,0|3,0,0]=4 370 B18R2.3764 CN1CCC(CC1)Sc2ccccc2C(=O)N 62a_100000162227_100011215917 [0,1,0,0,0,0|3,0,0]=4 371 B18R2.3764 CN1CCC(CC1)Sc2ccccc2C(=O)O 62a_202125556159_100011215917 [0,1,0,0,0,0|2,0,0]=3 372 B18R2.3764 C[C@H]1CC[C@@H](CC1)Nc2cccnc2C(=O)N 27a_100020625639_200012359670 [0,1,0,0,0,0|2,0,0]=3 373 B18R2.3764 C[C@H]1CC[C@@H](CC1)Nc2ccncc2C(=O)N 27a_100020625639_100000697804 [0,1,0,0,0,0|2,0,0]=3 374 B18R2.3764 C[C@H]1CC[C@@H](CC1)Nc2ncccc2C(=O)N 27a_100020625639_100000162199 [0,1,0,0,0,0|2,0,0]=3 375 B18R2.3764 C[C@H]1CC[C@@H](CC1)Nc2nccnc2C(=O)N 27a_100020625639_100000094861 [0,1,0,0,0,0|3,0,0]=4 376 B18R2.3764 NC(=O)c1cccnc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000162199 [0,1,0,0,0,0|2,0,0]=3 377 B18R2.3764 NC(=O)c1cnccc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000697804 [0,1,0,0,0,0|2,0,0]=3 378 B18R2.3764 NC(=O)c1ncccc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_200012359670 [0,1,0,0,0,0|2,0,0]=3 379 B18R2.3764 NC(=O)c1nccnc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000094861 [0,1,0,0,0,0|3,0,0]=4 380 B18R2.3919 CC(=O)c1cccnc1NC2CCCC(C2)C 27a_100011194320_100009816689 [0,1,0,0,0,0|2,0,0]=3 381 B18R2.3919 CC(=O)c1cccnc1NC2CCCC(C2)O 27a_100015190357_100009816689 [0,1,0,0,0,0|2,0,0]=3 382 B18R2.3919 CC(=O)c1cccnc1N[C@H]2CCCN(C2)C 27a_100016992120_100009816689 [0,1,0,0,0,0|3,0,0]=4 383 B18R2.3919 CC(=O)c1cnccc1NC2CCCC(C2)C 27a_100011194320_100160469449 [0,1,0,0,0,0|2,0,0]=3 384 B18R2.3919 CC(=O)c1cnccc1NC2CCCC(C2)O 27a_100015190357_100160469449 [0,1,0,0,0,0|2,0,0]=3 385 B18R2.3919 CC(=O)c1cnccc1N[C@H]2CCCN(C2)C 27a_100016992120_100160469449 [0,1,0,0,0,0|3,0,0]=4 386 B18R2.3919 CC(=O)c1nccnc1NC2CCCC(C2)C 27a_100011194320_100000099859 [0,1,0,0,0,0|3,0,0]=4 387 B18R2.3919 CC(=O)c1nccnc1NC2CCCC(C2)O 27a_100015190357_100000099859 [0,1,0,0,0,0|3,0,0]=4 388 B18R2.3919 CC1CCCC(C1)Nc2cccnc2C(=O)N 27a_100011194320_200012359670 [0,1,0,0,0,0|2,0,0]=3 389 B18R2.3919 CC1CCCC(C1)Nc2ccncc2C(=O)N 27a_100011194320_100000697804 [0,1,0,0,0,0|2,0,0]=3 390 B18R2.3919 CC1CCCC(C1)Nc2ncccc2C(=O)N 27a_100011194320_100000162199 [0,1,0,0,0,0|2,0,0]=3 391 B18R2.3919 CC1CCCC(C1)Nc2nccnc2C(=O)N 27a_100011194320_100000094861 [0,1,0,0,0,0|3,0,0]=4 392 B18R2.3919 CN1CCC[C@@H](C1)Nc2cccnc2C(=O)N 27a_100016992120_200012359670 [0,1,0,0,0,0|3,0,0]=4 393 B18R2.3919 CN1CCC[C@@H](C1)Nc2ccncc2C(=O)N 27a_100016992120_100000697804 [0,1,0,0,0,0|3,0,0]=4 394 B18R2.3919 CN1CCC[C@@H](C1)Nc2ncccc2C(=O)N 27a_100016992120_100000162199 [0,1,0,0,0,0|3,0,0]=4 395 B18R2.3919 NC(=O)c1cccnc1NC2CCCC(C2)O 27a_100015190357_100000162199 [0,1,0,0,0,0|2,0,0]=3 396 B18R2.3919 NC(=O)c1cnccc1NC2CCCC(C2)O 27a_100015190357_100000697804 [0,1,0,0,0,0|2,0,0]=3 397 B18R2.3919 NC(=O)c1ncccc1NC2CCCC(C2)O 27a_100015190357_200012359670 [0,1,0,0,0,0|2,0,0]=3 398 B18R2.3919 NC(=O)c1nccnc1NC2CCCC(C2)O 27a_100015190357_100000094861 [0,1,0,0,0,0|3,0,0]=4 399 B18R2.4064 CC(=O)c1ccc(cc1NC2CCCCC2)F 27a_100000182618_100000686192 [0,1,0,0,0,0|1,0,0]=2 400 B18R2.4064 CC(=O)c1ccc(cc1NC2CCCOC2)F 27a_100000719290_100000686192 [0,1,0,0,0,0|2,0,0]=3 401 B18R2.4064 CC(=O)c1ccc(cc1NC2CCOCC2)F 27a_100000741149_100000686192 [0,1,0,0,0,0|2,0,0]=3 402 B18R2.4064 CC(=O)c1ccc(cc1NC2CCSCC2)F 27a_100000748639_100000686192 [0,1,0,0,0,0|2,0,0]=3 403 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCCC2)Br 7a_100000188348_100000210327 [0,1,0,0,0,0|2,0,0]=3 404 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCCC2)C 34a_100000234885_100000210327 [0,1,0,0,0,0|2,0,0]=3 405 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCCC2)C 7a_100000234885_100000210327 [0,1,0,0,0,0|2,0,0]=3 406 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCCC2)Cl 34a_100000061402_100000210327 [0,1,0,0,0,0|2,0,0]=3 407 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCCC2)Cl 7a_100000061402_100000210327 [0,1,0,0,0,0|2,0,0]=3 408 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCCC2)F 7a_100011215782_100000210327 [0,1,0,0,0,0|2,0,0]=3 409 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCOC2)Br 7a_100000188348_100000693364 [0,1,0,0,0,0|3,0,0]=4 410 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCOC2)C 34a_100000234885_100000693364 [0,1,0,0,0,0|3,0,0]=4 411 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCOC2)C 7a_100000234885_100000693364 [0,1,0,0,0,0|3,0,0]=4 412 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCOC2)Cl 34a_100000061402_100000693364 [0,1,0,0,0,0|3,0,0]=4 413 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCOC2)Cl 7a_100000061402_100000693364 [0,1,0,0,0,0|3,0,0]=4 414 B18R2.4064 CC(=O)c1ccc(cc1OC2CCCOC2)F 7a_100011215782_100000693364 [0,1,0,0,0,0|3,0,0]=4 415 B18R2.4064 CC(=O)c1ccc(cc1OC2CCOCC2)Br 7a_100000188348_100000686592 [0,1,0,0,0,0|3,0,0]=4 416 B18R2.4064 CC(=O)c1ccc(cc1OC2CCOCC2)C 7a_100000234885_100000686592 [0,1,0,0,0,0|3,0,0]=4 417 B18R2.4064 CC(=O)c1ccc(cc1OC2CCOCC2)Cl 7a_100000061402_100000686592 [0,1,0,0,0,0|3,0,0]=4 418 B18R2.4064 CC(=O)c1ccc(cc1OC2CCOCC2)F 7a_100011215782_100000686592 [0,1,0,0,0,0|3,0,0]=4 419 B18R2.4064 CC(=O)c1ccc(cc1OC2CCSCC2)Br 7a_100000188348_100011500858 [0,1,0,0,0,0|3,0,0]=4 420 B18R2.4064 CC(=O)c1ccc(cc1OC2CCSCC2)C 34a_100000234885_100000069128 [0,1,0,0,0,0|3,0,0]=4 421 B18R2.4064 CC(=O)c1ccc(cc1OC2CCSCC2)C 7a_100000234885_100011500858 [0,1,0,0,0,0|3,0,0]=4 422 B18R2.4064 CC(=O)c1ccc(cc1OC2CCSCC2)Cl 34a_100000061402_100000069128 [0,1,0,0,0,0|3,0,0]=4 423 B18R2.4064 CC(=O)c1ccc(cc1OC2CCSCC2)Cl 7a_100000061402_100011500858 [0,1,0,0,0,0|3,0,0]=4 424 B18R2.4064 CC(=O)c1ccc(cc1OC2CCSCC2)F 7a_100011215782_100011500858 [0,1,0,0,0,0|3,0,0]=4 425 B18R2.4064 CC(=O)c1ccc(cc1SC2CCCCC2)C 62a_100000210327_100012353930 [0,1,0,0,0,0|2,0,0]=3 426 B18R2.4064 CC(=O)c1ccc(cc1SC2CCCCC2)C 62a_100012353930_100000210327 [0,1,0,0,0,0|2,0,0]=3 427 B18R2.4064 CC(=O)c1ccc(cc1SC2CCCCC2)F 62a_100000686192_100000210327 [0,1,0,0,0,0|2,0,0]=3 428 B18R2.4064 CC(=O)c1ccc(cc1SC2CCCCC2)O 62a_100012340537_100000210327 [0,1,0,0,0,0|2,0,0]=3 429 B18R2.4064 CC(=O)c1ccc(cc1SC2CCCOC2)C 62a_100012353930_100000693364 [0,1,0,0,0,0|3,0,0]=4 430 B18R2.4064 CC(=O)c1ccc(cc1SC2CCCOC2)F 62a_100000686192_100000693364 [0,1,0,0,0,0|3,0,0]=4 431 B18R2.4064 CC(=O)c1ccc(cc1SC2CCCOC2)O 62a_100012340537_100000693364 [0,1,0,0,0,0|3,0,0]=4 432 B18R2.4064 CC(=O)c1ccc(cc1SC2CCOCC2)C 62a_100012353930_100011324220 [0,1,0,0,0,0|3,0,0]=4 433 B18R2.4064 CC(=O)c1ccc(cc1SC2CCOCC2)F 62a_100000686192_100011324220 [0,1,0,0,0,0|3,0,0]=4 434 B18R2.4064 CC(=O)c1ccc(cc1SC2CCOCC2)O 62a_100012340537_100011324220 [0,1,0,0,0,0|3,0,0]=4 435 B18R2.4064 CC(=O)c1ccc(cc1SC2CCSCC2)C 62a_100012353930_100000069128 [0,1,0,0,0,0|3,0,0]=4 436 B18R2.4064 CC(=O)c1ccc(cc1SC2CCSCC2)F 62a_100000686192_100000069128 [0,1,0,0,0,0|3,0,0]=4 437 B18R2.4064 CC(=O)c1ccc(cc1SC2CCSCC2)O 62a_100012340537_100000069128 [0,1,0,0,0,0|3,0,0]=4 438 B18R2.4064 CC(C)c1ccc(cc1NC2CCCCC2)F 34a_100012283353_100000210327 [0,1,0,0,0,0|2,0,1]=4 439 B18R2.4064 CC(C)c1ccc(cc1NC2CCCCC2)F 7a_100012283353_100000210327 [0,1,0,0,0,0|2,0,1]=4 440 B18R2.4064 Cc1ccc(c(c1)NC2C=CCCC2)C(=O)N 7a_100011219537_100000751183 [0,1,0,0,0,0|1,0,2]=4 441 B18R2.4064 Cc1ccc(c(c1)NC2CCCCC2)C(=O)N 34a_100011219537_100000210327 [0,1,0,0,0,0|1,0,0]=2 442 B18R2.4064 Cc1ccc(c(c1)NC2CCCCC2)C(=O)N 7a_100011219537_100000210327 [0,1,0,0,0,0|1,0,0]=2 443 B18R2.4064 Cc1ccc(c(c1)NC2CCCOC2)C(=O)N 34a_100011219537_100000693364 [0,1,0,0,0,0|2,0,0]=3 444 B18R2.4064 Cc1ccc(c(c1)NC2CCCOC2)C(=O)N 7a_100011219537_100000693364 [0,1,0,0,0,0|2,0,0]=3 445 B18R2.4064 Cc1ccc(c(c1)NC2CCOCC2)C(=O)N 7a_100011219537_100000686592 [0,1,0,0,0,0|2,0,0]=3 446 B18R2.4064 Cc1ccc(c(c1)NC2CCSCC2)C(=O)N 34a_100011219537_100000069128 [0,1,0,0,0,0|2,0,0]=3 447 B18R2.4064 Cc1ccc(c(c1)NC2CCSCC2)C(=O)N 7a_100011219537_100011500858 [0,1,0,0,0,0|2,0,0]=3 448 B18R2.4064 Cc1ccc(c(c1)OC2CCCCC2)C(=O)N 34a_100000192831_100000210327 [0,1,0,0,0,0|2,0,0]=3 449 B18R2.4064 Cc1ccc(c(c1)OC2CCCCC2)C(=O)N 7a_100000192831_100000210327 [0,1,0,0,0,0|2,0,0]=3 450 B18R2.4064 Cc1ccc(c(c1)OC2CCCCC2)[N+](=O)[O-] 34a_100000195450_100000210327 [0,1,0,0,0,0|2,0,1]=4 451 B18R2.4064 Cc1ccc(c(c1)OC2CCCCC2)[N+](=O)[O-] 7a_100000195450_100000210327 [0,1,0,0,0,0|2,0,1]=4 452 B18R2.4064 Cc1ccc(c(c1)OC2CCCOC2)C(=O)N 34a_100000192831_100000693364 [0,1,0,0,0,0|3,0,0]=4 453 B18R2.4064 Cc1ccc(c(c1)OC2CCCOC2)C(=O)N 7a_100000192831_100000693364 [0,1,0,0,0,0|3,0,0]=4 454 B18R2.4064 Cc1ccc(c(c1)OC2CCOCC2)C(=O)N 7a_100000192831_100000686592 [0,1,0,0,0,0|3,0,0]=4 455 B18R2.4064 Cc1ccc(c(c1)OC2CCSCC2)C(=O)N 34a_100000192831_100000069128 [0,1,0,0,0,0|3,0,0]=4 456 B18R2.4064 Cc1ccc(c(c1)OC2CCSCC2)C(=O)N 7a_100000192831_100011500858 [0,1,0,0,0,0|3,0,0]=4 457 B18R2.4064 Cc1ccc(c(c1)SC2CCCCC2)B(O)O 62a_100000210327_200011068827 [0,1,0,0,0,0|2,0,1]=4 458 B18R2.4064 Cc1ccc(c(c1)SC2CCCCC2)B(O)O 62a_200011068827_100000210327 [0,1,0,0,0,0|2,0,1]=4 459 B18R2.4064 Cc1ccc(c(n1)NC2CCCCC2)C(=O)N 27a_100000182618_100000041523 [0,1,0,0,0,0|2,0,0]=3 460 B18R2.4064 Cc1ccc(c(n1)NC2CCCOC2)C(=O)N 27a_100000719290_100000041523 [0,1,0,0,0,0|3,0,0]=4 461 B18R2.4064 Cc1ccc(c(n1)NC2CCOCC2)C(=O)N 27a_100000741149_100000041523 [0,1,0,0,0,0|3,0,0]=4 462 B18R2.4064 Cc1ccc(c(n1)NC2CCSCC2)C(=O)N 27a_100000748639_100000041523 [0,1,0,0,0,0|3,0,0]=4 463 B18R2.4064 Cc1ccc(c(n1)SC2CCCCC2)C(=O)N 62a_100000041523_100000210327 [0,1,0,0,0,0|3,0,0]=4 464 B18R2.4064 Cc1ccc(c(n1)SC2CCCCC2)C(=O)N 62a_100000210327_100000041523 [0,1,0,0,0,0|3,0,0]=4 465 B18R2.4064 NC(=O)c1ccc(cc1NC2C=CCCC2)Br 7a_100012349972_100000751183 [0,1,0,0,0,0|1,0,2]=4 466 B18R2.4064 NC(=O)c1ccc(cc1NC2C=CCCC2)Cl 7a_100000738103_100000751183 [0,1,0,0,0,0|1,0,2]=4 467 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCCC2)Br 27a_100000182618_100009815748 [0,1,0,0,0,0|1,0,0]=2 468 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCCC2)Br 7a_100012349972_100000210327 [0,1,0,0,0,0|1,0,0]=2 469 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCCC2)Cl 34a_100000738103_100000210327 [0,1,0,0,0,0|1,0,0]=2 470 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCCC2)Cl 7a_100000738103_100000210327 [0,1,0,0,0,0|1,0,0]=2 471 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCCC2)F 27a_100000182618_100000206404 [0,1,0,0,0,0|1,0,0]=2 472 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCCC2)F 34a_100011298637_100000210327 [0,1,0,0,0,0|1,0,0]=2 473 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCOC2)Br 27a_100000719290_100009815748 [0,1,0,0,0,0|2,0,0]=3 474 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCOC2)Br 7a_100012349972_100000693364 [0,1,0,0,0,0|2,0,0]=3 475 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCOC2)Cl 34a_100000738103_100000693364 [0,1,0,0,0,0|2,0,0]=3 476 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCOC2)Cl 7a_100000738103_100000693364 [0,1,0,0,0,0|2,0,0]=3 477 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCOC2)F 27a_100000719290_100000206404 [0,1,0,0,0,0|2,0,0]=3 478 B18R2.4064 NC(=O)c1ccc(cc1NC2CCCOC2)F 34a_100011298637_100000693364 [0,1,0,0,0,0|2,0,0]=3 479 B18R2.4064 NC(=O)c1ccc(cc1NC2CCOCC2)Br 27a_100000741149_100009815748 [0,1,0,0,0,0|2,0,0]=3 480 B18R2.4064 NC(=O)c1ccc(cc1NC2CCOCC2)Br 7a_100012349972_100000686592 [0,1,0,0,0,0|2,0,0]=3 481 B18R2.4064 NC(=O)c1ccc(cc1NC2CCOCC2)Cl 7a_100000738103_100000686592 [0,1,0,0,0,0|2,0,0]=3 482 B18R2.4064 NC(=O)c1ccc(cc1NC2CCOCC2)F 27a_100000741149_100000206404 [0,1,0,0,0,0|2,0,0]=3 483 B18R2.4064 NC(=O)c1ccc(cc1NC2CCSCC2)Br 27a_100000748639_100009815748 [0,1,0,0,0,0|2,0,0]=3 484 B18R2.4064 NC(=O)c1ccc(cc1NC2CCSCC2)Br 7a_100012349972_100011500858 [0,1,0,0,0,0|2,0,0]=3 485 B18R2.4064 NC(=O)c1ccc(cc1NC2CCSCC2)Cl 34a_100000738103_100000069128 [0,1,0,0,0,0|2,0,0]=3 486 B18R2.4064 NC(=O)c1ccc(cc1NC2CCSCC2)Cl 7a_100000738103_100011500858 [0,1,0,0,0,0|2,0,0]=3 487 B18R2.4064 NC(=O)c1ccc(cc1NC2CCSCC2)F 27a_100000748639_100000206404 [0,1,0,0,0,0|2,0,0]=3 488 B18R2.4064 NC(=O)c1ccc(cc1NC2CCSCC2)F 34a_100011298637_100000069128 [0,1,0,0,0,0|2,0,0]=3 489 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCCC2)Br 34a_100011550861_100000210327 [0,1,0,0,0,0|2,0,0]=3 490 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCCC2)Br 7a_100011550861_100000210327 [0,1,0,0,0,0|2,0,0]=3 491 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCCC2)Cl 34a_100000192836_100000210327 [0,1,0,0,0,0|2,0,0]=3 492 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCCC2)Cl 7a_100000192836_100000210327 [0,1,0,0,0,0|2,0,0]=3 493 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCCC2)N 34a_100000223280_100000210327 [0,1,0,0,0,0|2,0,0]=3 494 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCCC2)N 7a_100000223280_100000210327 [0,1,0,0,0,0|2,0,0]=3 495 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCOC2)Br 34a_100011550861_100000693364 [0,1,0,0,0,0|3,0,0]=4 496 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCOC2)Br 7a_100011550861_100000693364 [0,1,0,0,0,0|3,0,0]=4 497 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCOC2)Cl 34a_100000192836_100000693364 [0,1,0,0,0,0|3,0,0]=4 498 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCOC2)Cl 7a_100000192836_100000693364 [0,1,0,0,0,0|3,0,0]=4 499 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCOC2)N 34a_100000223280_100000693364 [0,1,0,0,0,0|3,0,0]=4 500 B18R2.4064 NC(=O)c1ccc(cc1OC2CCCOC2)N 7a_100000223280_100000693364 [0,1,0,0,0,0|3,0,0]=4 501 B18R2.4064 NC(=O)c1ccc(cc1OC2CCOCC2)Br 7a_100011550861_100000686592 [0,1,0,0,0,0|3,0,0]=4 502 B18R2.4064 NC(=O)c1ccc(cc1OC2CCOCC2)Cl 7a_100000192836_100000686592 [0,1,0,0,0,0|3,0,0]=4 503 B18R2.4064 NC(=O)c1ccc(cc1OC2CCOCC2)N 7a_100000223280_100000686592 [0,1,0,0,0,0|3,0,0]=4 504 B18R2.4064 NC(=O)c1ccc(cc1OC2CCSCC2)Br 34a_100011550861_100000069128 [0,1,0,0,0,0|3,0,0]=4 505 B18R2.4064 NC(=O)c1ccc(cc1OC2CCSCC2)Br 7a_100011550861_100011500858 [0,1,0,0,0,0|3,0,0]=4 506 B18R2.4064 NC(=O)c1ccc(cc1OC2CCSCC2)Cl 34a_100000192836_100000069128 [0,1,0,0,0,0|3,0,0]=4 507 B18R2.4064 NC(=O)c1ccc(cc1OC2CCSCC2)Cl 7a_100000192836_100011500858 [0,1,0,0,0,0|3,0,0]=4 508 B18R2.4064 NC(=O)c1ccc(cc1OC2CCSCC2)N 34a_100000223280_100000069128 [0,1,0,0,0,0|3,0,0]=4 509 B18R2.4064 NC(=O)c1ccc(cc1OC2CCSCC2)N 7a_100000223280_100011500858 [0,1,0,0,0,0|3,0,0]=4 510 B18R2.4064 NC(=O)c1ccc(cc1SC2CCCCC2)Br 62a_100009815748_100000210327 [0,1,0,0,0,0|2,0,0]=3 511 B18R2.4064 NC(=O)c1ccc(cc1SC2CCCCC2)F 62a_100000206404_100000210327 [0,1,0,0,0,0|2,0,0]=3 512 B18R2.4064 NC(=O)c1ccc(cc1SC2CCCCC2)F 62a_100000210327_100000206404 [0,1,0,0,0,0|2,0,0]=3 513 B18R2.4064 NC(=O)c1ccc(cc1SC2CCCOC2)Br 62a_100009815748_100000693364 [0,1,0,0,0,0|3,0,0]=4 514 B18R2.4064 NC(=O)c1ccc(cc1SC2CCCOC2)F 62a_100000206404_100000693364 [0,1,0,0,0,0|3,0,0]=4 515 B18R2.4064 NC(=O)c1ccc(cc1SC2CCOCC2)Br 62a_100009815748_100011324220 [0,1,0,0,0,0|3,0,0]=4 516 B18R2.4064 NC(=O)c1ccc(cc1SC2CCOCC2)F 62a_100000206404_100011324220 [0,1,0,0,0,0|3,0,0]=4 517 B18R2.4064 NC(=O)c1ccc(cc1SC2CCSCC2)Br 62a_100009815748_100000069128 [0,1,0,0,0,0|3,0,0]=4 518 B18R2.4064 NC(=O)c1ccc(cc1SC2CCSCC2)F 62a_100000206404_100000069128 [0,1,0,0,0,0|3,0,0]=4 519 B18R2.4064 O=[N+]([O-])c1ccc(cc1NC2CCCCC2)F 34a_100000746377_100000210327 [0,1,0,0,0,0|1,0,1]=3 520 B18R2.4064 O=[N+]([O-])c1ccc(cc1NC2CCCOC2)F 34a_100000746377_100000693364 [0,1,0,0,0,0|2,0,1]=4 521 B18R2.4064 O=[N+]([O-])c1ccc(cc1NC2CCSCC2)F 34a_100000746377_100000069128 [0,1,0,0,0,0|2,0,1]=4 522 B18R2.4064 O=[N+]([O-])c1ccc(cc1OC2CCCCC2)Br 7a_100011934350_100000210327 [0,1,0,0,0,0|2,0,1]=4 523 B18R2.4064 O=[N+]([O-])c1ccc(cc1OC2CCCCC2)Cl 34a_100000746067_100000210327 [0,1,0,0,0,0|2,0,1]=4 524 B18R2.4064 O=[N+]([O-])c1ccc(cc1OC2CCCCC2)Cl 7a_100000746067_100000210327 [0,1,0,0,0,0|2,0,1]=4 525 B18R2.4064 O=[N+]([O-])c1ccc(cc1OC2CCCCC2)F 34a_100000210785_100000210327 [0,1,0,0,0,0|2,0,1]=4 526 B18R2.4064 O=[N+]([O-])c1ccc(cc1OC2CCCCC2)F 7a_100000210785_100000210327 [0,1,0,0,0,0|2,0,1]=4 527 B18R2.4064 O=[N+]([O-])c1ccc(cc1OC2CCCCC2)I 7a_100000072657_100000210327 [0,1,0,0,0,0|2,0,1]=4 528 B18R2.4064 OB(O)c1ccc(cc1SC2CCCCC2)F 62a_100000210327_100010175514 [0,1,0,0,0,0|2,0,1]=4 529 B18R2.4064 OB(O)c1ccc(cc1SC2CCCCC2)F 62a_100010175514_100000210327 [0,1,0,0,0,0|2,0,1]=4 530 B18R2.4750 C=C(C)c1ccccc1NC2CCCCC2=O 34a_100000037685_100000754470 [0,1,0,0,0,0|2,0,1]=4 531 B18R2.4750 C=C(C)c1ccccc1NC2CCCCC2F 34a_100000037685_100015423560 [0,1,0,0,0,0|2,0,0]=3 532 B18R2.4750 C=C(C)c1ccccc1NC2CCCCC2O 34a_100000037685_100000038908 [0,1,0,0,0,0|2,0,0]=3 533 B18R2.4750 CC(=O)c1ccccc1SC2CCCCC2=O 62a_100000751169_100000204591 [0,1,0,0,0,0|2,0,1]=4 534 B18R2.4750 CC(=O)c1ccccc1SC2CCCCC2F 62a_100000751169_100015423560 [0,1,0,0,0,0|2,0,0]=3 535 B18R2.4750 CC(=O)c1ccccc1SC2CCCCC2O 62a_100000751169_100000038908 [0,1,0,0,0,0|2,0,0]=3 536 B18R2.4750 CC(=O)c1cccnc1NC2CCCCC2C 27a_100000211402_100009816689 [0,1,0,0,0,0|2,0,0]=3 537 B18R2.4750 CC(=O)c1cccnc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100009816689 [0,1,0,0,0,0|2,0,0]=3 538 B18R2.4750 CC(=O)c1cccnc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100009816689 [0,1,0,0,0,0|2,0,0]=3 539 B18R2.4750 CC(=O)c1cccnc1N[C@@H]2CCOC[C@@H]2O 27a_100016994285_100009816689 [0,1,0,0,0,0|3,0,0]=4 540 B18R2.4750 CC(=O)c1cccnc1N[C@H]2CCOC[C@@H]2F 27a_100016994078_100009816689 [0,1,0,0,0,0|3,0,0]=4 541 B18R2.4750 CC(=O)c1cccnc1N[C@H]2COCC[C@@H]2O 27a_100015739063_100009816689 [0,1,0,0,0,0|3,0,0]=4 542 B18R2.4750 CC(=O)c1cccnc1SC2CCCCC2F 62a_100000753718_100015423560 [0,1,0,0,0,0|3,0,0]=4 543 B18R2.4750 CC(=O)c1cccnc1SC2CCCCC2F 62a_100015423560_100000753718 [0,1,0,0,0,0|3,0,0]=4 544 B18R2.4750 CC(=O)c1cccnc1SC2CCCCC2O 62a_100000038908_100000753718 [0,1,0,0,0,0|3,0,0]=4 545 B18R2.4750 CC(=O)c1cccnc1SC2CCCCC2O 62a_100000753718_100000038908 [0,1,0,0,0,0|3,0,0]=4 546 B18R2.4750 CC(=O)c1ccncc1SC2CCCCC2F 62a_100009993184_100015423560 [0,1,0,0,0,0|3,0,0]=4 547 B18R2.4750 CC(=O)c1ccncc1SC2CCCCC2F 62a_100015423560_100009993184 [0,1,0,0,0,0|3,0,0]=4 548 B18R2.4750 CC(=O)c1ccncc1SC2CCCCC2O 62a_100000038908_100009993184 [0,1,0,0,0,0|3,0,0]=4 549 B18R2.4750 CC(=O)c1ccncc1SC2CCCCC2O 62a_100009993184_100000038908 [0,1,0,0,0,0|3,0,0]=4 550 B18R2.4750 CC(=O)c1cnccc1NC2CCCCC2C 27a_100000211402_100160469449 [0,1,0,0,0,0|2,0,0]=3 551 B18R2.4750 CC(=O)c1cnccc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100160469449 [0,1,0,0,0,0|2,0,0]=3 552 B18R2.4750 CC(=O)c1cnccc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100160469449 [0,1,0,0,0,0|2,0,0]=3 553 B18R2.4750 CC(=O)c1cnccc1N[C@@H]2CCOC[C@@H]2O 27a_100016994285_100160469449 [0,1,0,0,0,0|3,0,0]=4 554 B18R2.4750 CC(=O)c1cnccc1N[C@H]2CCOC[C@@H]2F 27a_100016994078_100160469449 [0,1,0,0,0,0|3,0,0]=4 555 B18R2.4750 CC(=O)c1cnccc1N[C@H]2COCC[C@@H]2O 27a_100015739063_100160469449 [0,1,0,0,0,0|3,0,0]=4 556 B18R2.4750 CC(=O)c1cnccc1SC2CCCCC2F 62a_100015423560_100160469449 [0,1,0,0,0,0|3,0,0]=4 557 B18R2.4750 CC(=O)c1cnccc1SC2CCCCC2F 62a_100160469449_100015423560 [0,1,0,0,0,0|3,0,0]=4 558 B18R2.4750 CC(=O)c1cnccc1SC2CCCCC2O 62a_100000038908_100160469449 [0,1,0,0,0,0|3,0,0]=4 559 B18R2.4750 CC(=O)c1cnccc1SC2CCCCC2O 62a_100160469449_100000038908 [0,1,0,0,0,0|3,0,0]=4 560 B18R2.4750 CC(=O)c1ncccc1OC2CCCCC2F 34a_100000087166_100015423560 [0,1,0,0,0,0|3,0,0]=4 561 B18R2.4750 CC(=O)c1ncccc1OC2CCCCC2O 34a_100000087166_100000038908 [0,1,0,0,0,0|3,0,0]=4 562 B18R2.4750 CC(=O)c1ncccc1SC2CCCCC2F 62a_100012348690_100015423560 [0,1,0,0,0,0|3,0,0]=4 563 B18R2.4750 CC(=O)c1ncccc1SC2CCCCC2F 62a_100015423560_100012348690 [0,1,0,0,0,0|3,0,0]=4 564 B18R2.4750 CC(=O)c1ncccc1SC2CCCCC2O 62a_100000038908_100012348690 [0,1,0,0,0,0|3,0,0]=4 565 B18R2.4750 CC(=O)c1ncccc1SC2CCCCC2O 62a_100012348690_100000038908 [0,1,0,0,0,0|3,0,0]=4 566 B18R2.4750 CC(=O)c1nccnc1NC2CCCCC2C 27a_100000211402_100000099859 [0,1,0,0,0,0|3,0,0]=4 567 B18R2.4750 CC(=O)c1nccnc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000099859 [0,1,0,0,0,0|3,0,0]=4 568 B18R2.4750 CC(=O)c1nccnc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000099859 [0,1,0,0,0,0|3,0,0]=4 569 B18R2.4750 CC(C)c1ccccc1NC2CCCCC2F 34a_100000210643_100015423560 [0,1,0,0,0,0|2,0,1]=4 570 B18R2.4750 CC(C)c1ccccc1NC2CCCCC2O 34a_100000210643_100000038908 [0,1,0,0,0,0|2,0,1]=4 571 B18R2.4750 CC(O)c1ccccc1OC2CCCCC2F 34a_200011232679_100015423560 [0,1,0,0,0,0|2,0,1]=4 572 B18R2.4750 CC(O)c1ccccc1OC2CCCCC2O 34a_200011232679_100000038908 [0,1,0,0,0,0|2,0,1]=4 573 B18R2.4750 CC(O)c1ccccc1SC2CCCCC2F 62a_100000702211_100015423560 [0,1,0,0,0,0|2,0,1]=4 574 B18R2.4750 CC(O)c1ccccc1SC2CCCCC2F 62a_100015423560_100000702211 [0,1,0,0,0,0|2,0,1]=4 575 B18R2.4750 CC(O)c1ccccc1SC2CCCCC2O 62a_100000038908_100000702211 [0,1,0,0,0,0|2,0,1]=4 576 B18R2.4750 CC(O)c1ccccc1SC2CCCCC2O 62a_100000702211_100000038908 [0,1,0,0,0,0|2,0,1]=4 577 B18R2.4750 CC1CCCCC1Nc2cccnc2C(=O)N 27a_100000211402_200012359670 [0,1,0,0,0,0|2,0,0]=3 578 B18R2.4750 CC1CCCCC1Nc2ccncc2C(=O)N 27a_100000211402_100000697804 [0,1,0,0,0,0|2,0,0]=3 579 B18R2.4750 CC1CCCCC1Nc2ncccc2C(=O)N 27a_100000211402_100000162199 [0,1,0,0,0,0|2,0,0]=3 580 B18R2.4750 CC1CCCCC1Nc2nccnc2C(=O)N 27a_100000211402_100000094861 [0,1,0,0,0,0|3,0,0]=4 581 B18R2.4750 CS(=O)c1ccccc1SC2CCCCC2F 62a_100000734199_100015423560 [0,1,0,0,0,0|3,0,0]=4 582 B18R2.4750 CS(=O)c1ccccc1SC2CCCCC2O 62a_100000734199_100000038908 [0,1,0,0,0,0|3,0,0]=4 583 B18R2.4750 FC(F)c1ccccc1NC2CCCCC2F 34a_100000734540_100015423560 [0,1,0,0,0,0|2,0,1]=4 584 B18R2.4750 NC(=O)c1ccccc1NC2CCCCC2=O 34a_100000185089_100000754470 [0,1,0,0,0,0|1,0,1]=3 585 B18R2.4750 NC(=O)c1ccccc1NC2CCCCC2F 34a_100000185089_100015423560 [0,1,0,0,0,0|1,0,0]=2 586 B18R2.4750 NC(=O)c1ccccc1NC2CCCCC2O 34a_100000185089_100000038908 [0,1,0,0,0,0|1,0,0]=2 587 B18R2.4750 NC(=O)c1ccccc1NC2CCCNC2=O 34a_100000185089_100000687798 [0,1,0,0,0,0|2,0,1]=4 588 B18R2.4750 NC(=O)c1ccccc1NC2COCCC2=O 34a_100000185089_100012180262 [0,1,0,0,0,0|2,0,1]=4 589 B18R2.4750 NC(=O)c1ccccc1OC2CCCCC2=O 34a_100000192804_100000754470 [0,1,0,0,0,0|2,0,1]=4 590 B18R2.4750 NC(=O)c1ccccc1OC2CCCCC2=O 7a_100000192804_100000204591 [0,1,0,0,0,0|2,0,1]=4 591 B18R2.4750 NC(=O)c1ccccc1OC2CCCCC2F 34a_100000192804_100015423560 [0,1,0,0,0,0|2,0,0]=3 592 B18R2.4750 NC(=O)c1ccccc1OC2CCCCC2O 34a_100000192804_100000038908 [0,1,0,0,0,0|2,0,0]=3 593 B18R2.4750 NC(=O)c1ccccc1SC2CCCCC2=O 62a_100000162227_100000204591 [0,1,0,0,0,0|2,0,1]=4 594 B18R2.4750 NC(=O)c1ccccc1SC2CCCCC2=O 62a_100000204591_100000162227 [0,1,0,0,0,0|2,0,1]=4 595 B18R2.4750 NC(=O)c1ccccc1SC2CCCCC2F 62a_100000162227_100015423560 [0,1,0,0,0,0|2,0,0]=3 596 B18R2.4750 NC(=O)c1ccccc1SC2CCCCC2F 62a_100015423560_100000162227 [0,1,0,0,0,0|2,0,0]=3 597 B18R2.4750 NC(=O)c1ccccc1SC2CCCCC2O 62a_100000038908_100000162227 [0,1,0,0,0,0|2,0,0]=3 598 B18R2.4750 NC(=O)c1ccccc1SC2CCCCC2O 62a_100000162227_100000038908 [0,1,0,0,0,0|2,0,0]=3 599 B18R2.4750 NC(=O)c1cccnc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000162199 [0,1,0,0,0,0|2,0,0]=3 600 B18R2.4750 NC(=O)c1cccnc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000162199 [0,1,0,0,0,0|2,0,0]=3 601 B18R2.4750 NC(=O)c1cccnc1N[C@@H]2CCOC[C@@H]2O 27a_100016994285_100000162199 [0,1,0,0,0,0|3,0,0]=4 602 B18R2.4750 NC(=O)c1cccnc1N[C@H]2CCOC[C@@H]2F 27a_100016994078_100000162199 [0,1,0,0,0,0|3,0,0]=4 603 B18R2.4750 NC(=O)c1cccnc1N[C@H]2COCC[C@@H]2O 27a_100015739063_100000162199 [0,1,0,0,0,0|3,0,0]=4 604 B18R2.4750 NC(=O)c1cccnc1SC2CCCCC2F 62a_100000162199_100015423560 [0,1,0,0,0,0|3,0,0]=4 605 B18R2.4750 NC(=O)c1cccnc1SC2CCCCC2F 62a_100015423560_100000162199 [0,1,0,0,0,0|3,0,0]=4 606 B18R2.4750 NC(=O)c1cccnc1SC2CCCCC2O 62a_100000038908_100000162199 [0,1,0,0,0,0|3,0,0]=4 607 B18R2.4750 NC(=O)c1cccnc1SC2CCCCC2O 62a_100000162199_100000038908 [0,1,0,0,0,0|3,0,0]=4 608 B18R2.4750 NC(=O)c1ccncc1SC2CCCCC2F 62a_100010205435_100015423560 [0,1,0,0,0,0|3,0,0]=4 609 B18R2.4750 NC(=O)c1ccncc1SC2CCCCC2F 62a_100015423560_100010205435 [0,1,0,0,0,0|3,0,0]=4 610 B18R2.4750 NC(=O)c1ccncc1SC2CCCCC2O 62a_100000038908_100010205435 [0,1,0,0,0,0|3,0,0]=4 611 B18R2.4750 NC(=O)c1ccncc1SC2CCCCC2O 62a_100010205435_100000038908 [0,1,0,0,0,0|3,0,0]=4 612 B18R2.4750 NC(=O)c1cnccc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000697804 [0,1,0,0,0,0|2,0,0]=3 613 B18R2.4750 NC(=O)c1cnccc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000697804 [0,1,0,0,0,0|2,0,0]=3 614 B18R2.4750 NC(=O)c1cnccc1N[C@@H]2CCOC[C@@H]2O 27a_100016994285_100000697804 [0,1,0,0,0,0|3,0,0]=4 615 B18R2.4750 NC(=O)c1cnccc1N[C@H]2CCOC[C@@H]2F 27a_100016994078_100000697804 [0,1,0,0,0,0|3,0,0]=4 616 B18R2.4750 NC(=O)c1cnccc1N[C@H]2COCC[C@@H]2O 27a_100015739063_100000697804 [0,1,0,0,0,0|3,0,0]=4 617 B18R2.4750 NC(=O)c1cnccc1OC2CCCCC2F 34a_200011998761_100015423560 [0,1,0,0,0,0|3,0,0]=4 618 B18R2.4750 NC(=O)c1cnccc1OC2CCCCC2O 34a_200011998761_100000038908 [0,1,0,0,0,0|3,0,0]=4 619 B18R2.4750 NC(=O)c1cnccc1SC2CCCCC2F 62a_100000697804_100015423560 [0,1,0,0,0,0|3,0,0]=4 620 B18R2.4750 NC(=O)c1cnccc1SC2CCCCC2F 62a_100015423560_100000697804 [0,1,0,0,0,0|3,0,0]=4 621 B18R2.4750 NC(=O)c1cnccc1SC2CCCCC2O 62a_100000038908_100000697804 [0,1,0,0,0,0|3,0,0]=4 622 B18R2.4750 NC(=O)c1cnccc1SC2CCCCC2O 62a_100000697804_100000038908 [0,1,0,0,0,0|3,0,0]=4 623 B18R2.4750 NC(=O)c1ncccc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_200012359670 [0,1,0,0,0,0|2,0,0]=3 624 B18R2.4750 NC(=O)c1ncccc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_200012359670 [0,1,0,0,0,0|2,0,0]=3 625 B18R2.4750 NC(=O)c1ncccc1N[C@@H]2CCOC[C@@H]2O 27a_100016994285_200012359670 [0,1,0,0,0,0|3,0,0]=4 626 B18R2.4750 NC(=O)c1ncccc1N[C@H]2CCOC[C@@H]2F 27a_100016994078_200012359670 [0,1,0,0,0,0|3,0,0]=4 627 B18R2.4750 NC(=O)c1ncccc1N[C@H]2COCC[C@@H]2O 27a_100015739063_200012359670 [0,1,0,0,0,0|3,0,0]=4 628 B18R2.4750 NC(=O)c1ncccc1OC2CCCCC2F 34a_200011215183_100015423560 [0,1,0,0,0,0|3,0,0]=4 629 B18R2.4750 NC(=O)c1ncccc1OC2CCCCC2O 34a_200011215183_100000038908 [0,1,0,0,0,0|3,0,0]=4 630 B18R2.4750 NC(=O)c1ncccc1SC2CCCCC2F 62a_100015423560_200012359670 [0,1,0,0,0,0|3,0,0]=4 631 B18R2.4750 NC(=O)c1ncccc1SC2CCCCC2F 62a_200012359670_100015423560 [0,1,0,0,0,0|3,0,0]=4 632 B18R2.4750 NC(=O)c1ncccc1SC2CCCCC2O 62a_100000038908_200012359670 [0,1,0,0,0,0|3,0,0]=4 633 B18R2.4750 NC(=O)c1ncccc1SC2CCCCC2O 62a_200012359670_100000038908 [0,1,0,0,0,0|3,0,0]=4 634 B18R2.4750 NC(=O)c1nccnc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000094861 [0,1,0,0,0,0|3,0,0]=4 635 B18R2.4750 NC(=O)c1nccnc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000094861 [0,1,0,0,0,0|3,0,0]=4 636 B18R2.4750 O=C(O)c1ccccc1SC2CCCCC2=O 62a_100000204591_100000734275 [0,1,0,0,0,0|1,0,1]=3 637 B18R2.4750 O=C(O)c1ccccc1SC2CCCCC2=O 62a_202125556159_100000204591 [0,1,0,0,0,0|1,0,1]=3 638 B18R2.4750 O=C(O)c1ccccc1SC2CCCCC2F 62a_100015423560_100000734275 [0,1,0,0,0,0|1,0,0]=2 639 B18R2.4750 O=C(O)c1ccccc1SC2CCCCC2F 62a_202125556159_100015423560 [0,1,0,0,0,0|1,0,0]=2 640 B18R2.4750 O=C(O)c1ccccc1SC2CCCCC2O 62a_100000038908_100000734275 [0,1,0,0,0,0|1,0,0]=2 641 B18R2.4750 O=C(O)c1ccccc1SC2CCCCC2O 62a_202125556159_100000038908 [0,1,0,0,0,0|1,0,0]=2 642 B18R2.4750 O=C(O)c1ccccc1SC2CCCNC2=O 62a_100000687798_100000734275 [0,1,0,0,0,0|2,0,1]=4 643 B18R2.4750 O=C(O)c1ccccc1SC2CCCNC2=O 62a_202125556159_100000687798 [0,1,0,0,0,0|2,0,1]=4 644 B18R2.4750 O=C(O)c1ccccc1SC2COCCC2=O 62a_100012180262_100000734275 [0,1,0,0,0,0|2,0,1]=4 645 B18R2.4750 O=C(O)c1ccccc1SC2COCCC2=O 62a_202125556159_100012180262 [0,1,0,0,0,0|2,0,1]=4 646 B18R2.4750 O=C([O-])c1ccccc1OC2CCCCC2=O 7a_100015234032_100000204591 [0,1,0,0,0,0|1,0,2]=4 647 B18R2.4750 O=[N+]([O-])c1ccccc1OC2CCCCC2F 34a_100000186319_100015423560 [0,1,0,0,0,0|2,0,1]=4 648 B18R2.4750 O=[N+]([O-])c1ccccc1OC2CCCCC2O 34a_100000186319_100000038908 [0,1,0,0,0,0|2,0,1]=4 649 B18R2.4750 OB(O)c1ccccc1SC2CCCCC2F 62a_100000693059_100015423560 [0,1,0,0,0,0|2,0,1]=4 650 B18R2.4750 OB(O)c1ccccc1SC2CCCCC2F 62a_100015423560_100000693059 [0,1,0,0,0,0|2,0,1]=4 651 B18R2.4750 OB(O)c1ccccc1SC2CCCCC2O 62a_100000038908_100000693059 [0,1,0,0,0,0|2,0,1]=4 652 B18R2.4750 OB(O)c1ccccc1SC2CCCCC2O 62a_100000693059_100000038908 [0,1,0,0,0,0|2,0,1]=4 653 B18R2.4750 OC1CCCCC1Nc2ccccc2C(F)F 34a_100000734540_100000038908 [0,1,0,0,0,0|2,0,1]=4 654 B18R2.6475 CC(=O)c1c(cccc1OC2CCCCC2)Br 34a_100010174959_100000210327 [0,1,0,0,0,0|2,0,0]=3 655 B18R2.6475 CC(=O)c1c(cccc1OC2CCCCC2)Br 7a_100010174959_100000210327 [0,1,0,0,0,0|2,0,0]=3 656 B18R2.6475 CC(=O)c1c(cccc1OC2CCCCC2)C 34a_100009860897_100000210327 [0,1,0,0,0,0|2,0,0]=3 657 B18R2.6475 CC(=O)c1c(cccc1OC2CCCCC2)C 7a_100009860897_100000210327 [0,1,0,0,0,0|2,0,0]=3 658 B18R2.6475 CC(=O)c1c(cccc1OC2CCCCC2)Cl 34a_100000730630_100000210327 [0,1,0,0,0,0|2,0,0]=3 659 B18R2.6475 CC(=O)c1c(cccc1OC2CCCCC2)Cl 7a_100000730630_100000210327 [0,1,0,0,0,0|2,0,0]=3 660 B18R2.6475 CC(=O)c1c(cccc1OC2CCCCC2)F 34a_100011216272_100000210327 [0,1,0,0,0,0|2,0,0]=3 661 B18R2.6475 CC(=O)c1c(cccc1OC2CCCCC2)F 7a_100011216272_100000210327 [0,1,0,0,0,0|2,0,0]=3 662 B18R2.6475 CC(=O)c1c(cccc1OC2CCCOC2)Br 34a_100010174959_100000693364 [0,1,0,0,0,0|3,0,0]=4 663 B18R2.6475 CC(=O)c1c(cccc1OC2CCCOC2)Br 7a_100010174959_100000693364 [0,1,0,0,0,0|3,0,0]=4 664 B18R2.6475 CC(=O)c1c(cccc1OC2CCCOC2)C 34a_100009860897_100000693364 [0,1,0,0,0,0|3,0,0]=4 665 B18R2.6475 CC(=O)c1c(cccc1OC2CCCOC2)C 7a_100009860897_100000693364 [0,1,0,0,0,0|3,0,0]=4 666 B18R2.6475 CC(=O)c1c(cccc1OC2CCCOC2)Cl 34a_100000730630_100000693364 [0,1,0,0,0,0|3,0,0]=4 667 B18R2.6475 CC(=O)c1c(cccc1OC2CCCOC2)Cl 7a_100000730630_100000693364 [0,1,0,0,0,0|3,0,0]=4 668 B18R2.6475 CC(=O)c1c(cccc1OC2CCCOC2)F 34a_100011216272_100000693364 [0,1,0,0,0,0|3,0,0]=4 669 B18R2.6475 CC(=O)c1c(cccc1OC2CCCOC2)F 7a_100011216272_100000693364 [0,1,0,0,0,0|3,0,0]=4 670 B18R2.6475 CC(=O)c1c(cccc1OC2CCOCC2)Br 7a_100010174959_100000686592 [0,1,0,0,0,0|3,0,0]=4 671 B18R2.6475 CC(=O)c1c(cccc1OC2CCOCC2)C 7a_100009860897_100000686592 [0,1,0,0,0,0|3,0,0]=4 672 B18R2.6475 CC(=O)c1c(cccc1OC2CCOCC2)Cl 7a_100000730630_100000686592 [0,1,0,0,0,0|3,0,0]=4 673 B18R2.6475 CC(=O)c1c(cccc1OC2CCOCC2)F 7a_100011216272_100000686592 [0,1,0,0,0,0|3,0,0]=4 674 B18R2.6475 CC(=O)c1c(cccc1OC2CCSCC2)Br 34a_100010174959_100000069128 [0,1,0,0,0,0|3,0,0]=4 675 B18R2.6475 CC(=O)c1c(cccc1OC2CCSCC2)Br 7a_100010174959_100011500858 [0,1,0,0,0,0|3,0,0]=4 676 B18R2.6475 CC(=O)c1c(cccc1OC2CCSCC2)C 34a_100009860897_100000069128 [0,1,0,0,0,0|3,0,0]=4 677 B18R2.6475 CC(=O)c1c(cccc1OC2CCSCC2)C 7a_100009860897_100011500858 [0,1,0,0,0,0|3,0,0]=4 678 B18R2.6475 CC(=O)c1c(cccc1OC2CCSCC2)Cl 34a_100000730630_100000069128 [0,1,0,0,0,0|3,0,0]=4 679 B18R2.6475 CC(=O)c1c(cccc1OC2CCSCC2)Cl 7a_100000730630_100011500858 [0,1,0,0,0,0|3,0,0]=4 680 B18R2.6475 CC(=O)c1c(cccc1OC2CCSCC2)F 34a_100011216272_100000069128 [0,1,0,0,0,0|3,0,0]=4 681 B18R2.6475 CC(=O)c1c(cccc1OC2CCSCC2)F 7a_100011216272_100011500858 [0,1,0,0,0,0|3,0,0]=4 682 B18R2.6475 CC(=O)c1c(cccc1SC2CCCCC2)F 62a_100012351873_100000210327 [0,1,0,0,0,0|2,0,0]=3 683 B18R2.6475 CC(=O)c1c(cccc1SC2CCCOC2)F 62a_100012351873_100000693364 [0,1,0,0,0,0|3,0,0]=4 684 B18R2.6475 CC(=O)c1c(cccc1SC2CCOCC2)F 62a_100012351873_100011324220 [0,1,0,0,0,0|3,0,0]=4 685 B18R2.6475 CC(=O)c1c(cccc1SC2CCSCC2)F 62a_100012351873_100000069128 [0,1,0,0,0,0|3,0,0]=4 686 B18R2.6475 CC(=O)c1c(ccnc1SC2CCCCC2)N 62a_100000210327_200010729368 [0,1,0,0,0,0|3,0,0]=4 687 B18R2.6475 CC(=O)c1c(ccnc1SC2CCCCC2)N 62a_200010729368_100000210327 [0,1,0,0,0,0|3,0,0]=4 688 B18R2.6475 CC(O)c1c(cccc1SC2CCCCC2)F 62a_100000210327_100013085324 [0,1,0,0,0,0|2,0,1]=4 689 B18R2.6475 CC(O)c1c(cccc1SC2CCCCC2)F 62a_100013085324_100000210327 [0,1,0,0,0,0|2,0,1]=4 690 B18R2.6475 Cc1cccc(c1C(=O)N)NC2C=CCCC2 7a_100102558177_100000751183 [0,1,0,0,0,0|1,0,2]=4 691 B18R2.6475 Cc1cccc(c1C(=O)N)NC2CCCCC2 34a_100102558177_100000210327 [0,1,0,0,0,0|1,0,0]=2 692 B18R2.6475 Cc1cccc(c1C(=O)N)NC2CCCCC2 7a_100102558177_100000210327 [0,1,0,0,0,0|1,0,0]=2 693 B18R2.6475 Cc1cccc(c1C(=O)N)NC2CCCOC2 34a_100102558177_100000693364 [0,1,0,0,0,0|2,0,0]=3 694 B18R2.6475 Cc1cccc(c1C(=O)N)NC2CCCOC2 7a_100102558177_100000693364 [0,1,0,0,0,0|2,0,0]=3 695 B18R2.6475 Cc1cccc(c1C(=O)N)NC2CCOCC2 7a_100102558177_100000686592 [0,1,0,0,0,0|2,0,0]=3 696 B18R2.6475 Cc1cccc(c1C(=O)N)NC2CCSCC2 34a_100102558177_100000069128 [0,1,0,0,0,0|2,0,0]=3 697 B18R2.6475 Cc1cccc(c1C(=O)N)NC2CCSCC2 7a_100102558177_100011500858 [0,1,0,0,0,0|2,0,0]=3 698 B18R2.6475 Cc1cccc(c1[N+](=O)[O-])NC2CCCCC2 34a_100011424894_100000210327 [0,1,0,0,0,0|1,0,1]=3 699 B18R2.6475 Cc1cccc(c1[N+](=O)[O-])NC2CCCOC2 34a_100011424894_100000693364 [0,1,0,0,0,0|2,0,1]=4 700 B18R2.6475 Cc1cccc(c1[N+](=O)[O-])NC2CCSCC2 34a_100011424894_100000069128 [0,1,0,0,0,0|2,0,1]=4 701 B18R2.6475 Cc1cccc(c1[N+](=O)[O-])OC2CCCCC2 34a_100000740142_100000210327 [0,1,0,0,0,0|2,0,1]=4 702 B18R2.6475 Cc1cccc(c1[N+](=O)[O-])OC2CCCCC2 7a_100000740142_100000210327 [0,1,0,0,0,0|2,0,1]=4 703 B18R2.6475 NC(=O)c1c(cccc1NC2C=CCCC2)Cl 7a_100000764435_100000751183 [0,1,0,0,0,0|1,0,2]=4 704 B18R2.6475 NC(=O)c1c(cccc1NC2C=CCCC2)F 7a_100000036109_100000751183 [0,1,0,0,0,0|1,0,2]=4 705 B18R2.6475 NC(=O)c1c(cccc1NC2CCCCC2)Cl 34a_100000764435_100000210327 [0,1,0,0,0,0|1,0,0]=2 706 B18R2.6475 NC(=O)c1c(cccc1NC2CCCCC2)Cl 7a_100000764435_100000210327 [0,1,0,0,0,0|1,0,0]=2 707 B18R2.6475 NC(=O)c1c(cccc1NC2CCCCC2)F 27a_100000182618_100011219063 [0,1,0,0,0,0|1,0,0]=2 708 B18R2.6475 NC(=O)c1c(cccc1NC2CCCCC2)F 34a_100000036109_100000210327 [0,1,0,0,0,0|1,0,0]=2 709 B18R2.6475 NC(=O)c1c(cccc1NC2CCCCC2)F 7a_100000036109_100000210327 [0,1,0,0,0,0|1,0,0]=2 710 B18R2.6475 NC(=O)c1c(cccc1NC2CCCOC2)Cl 34a_100000764435_100000693364 [0,1,0,0,0,0|2,0,0]=3 711 B18R2.6475 NC(=O)c1c(cccc1NC2CCCOC2)Cl 7a_100000764435_100000693364 [0,1,0,0,0,0|2,0,0]=3 712 B18R2.6475 NC(=O)c1c(cccc1NC2CCCOC2)F 27a_100000719290_100011219063 [0,1,0,0,0,0|2,0,0]=3 713 B18R2.6475 NC(=O)c1c(cccc1NC2CCCOC2)F 34a_100000036109_100000693364 [0,1,0,0,0,0|2,0,0]=3 714 B18R2.6475 NC(=O)c1c(cccc1NC2CCCOC2)F 7a_100000036109_100000693364 [0,1,0,0,0,0|2,0,0]=3 715 B18R2.6475 NC(=O)c1c(cccc1NC2CCOCC2)Cl 7a_100000764435_100000686592 [0,1,0,0,0,0|2,0,0]=3 716 B18R2.6475 NC(=O)c1c(cccc1NC2CCOCC2)F 27a_100000741149_100011219063 [0,1,0,0,0,0|2,0,0]=3 717 B18R2.6475 NC(=O)c1c(cccc1NC2CCOCC2)F 7a_100000036109_100000686592 [0,1,0,0,0,0|2,0,0]=3 718 B18R2.6475 NC(=O)c1c(cccc1NC2CCSCC2)Cl 34a_100000764435_100000069128 [0,1,0,0,0,0|2,0,0]=3 719 B18R2.6475 NC(=O)c1c(cccc1NC2CCSCC2)Cl 7a_100000764435_100011500858 [0,1,0,0,0,0|2,0,0]=3 720 B18R2.6475 NC(=O)c1c(cccc1NC2CCSCC2)F 27a_100000748639_100011219063 [0,1,0,0,0,0|2,0,0]=3 721 B18R2.6475 NC(=O)c1c(cccc1NC2CCSCC2)F 34a_100000036109_100000069128 [0,1,0,0,0,0|2,0,0]=3 722 B18R2.6475 NC(=O)c1c(cccc1NC2CCSCC2)F 7a_100000036109_100011500858 [0,1,0,0,0,0|2,0,0]=3 723 B18R2.6475 NC(=O)c1c(cccc1OC2CCCCC2)F 34a_100000701607_100000210327 [0,1,0,0,0,0|2,0,0]=3 724 B18R2.6475 NC(=O)c1c(cccc1OC2CCCCC2)F 7a_100000701607_100000210327 [0,1,0,0,0,0|2,0,0]=3 725 B18R2.6475 NC(=O)c1c(cccc1OC2CCCOC2)F 34a_100000701607_100000693364 [0,1,0,0,0,0|3,0,0]=4 726 B18R2.6475 NC(=O)c1c(cccc1OC2CCCOC2)F 7a_100000701607_100000693364 [0,1,0,0,0,0|3,0,0]=4 727 B18R2.6475 NC(=O)c1c(cccc1OC2CCOCC2)F 7a_100000701607_100000686592 [0,1,0,0,0,0|3,0,0]=4 728 B18R2.6475 NC(=O)c1c(cccc1OC2CCSCC2)F 34a_100000701607_100000069128 [0,1,0,0,0,0|3,0,0]=4 729 B18R2.6475 NC(=O)c1c(cccc1OC2CCSCC2)F 7a_100000701607_100011500858 [0,1,0,0,0,0|3,0,0]=4 730 B18R2.6475 NC(=O)c1c(cccc1SC2CCCCC2)Cl 62a_100010147686_100000210327 [0,1,0,0,0,0|2,0,0]=3 731 B18R2.6475 NC(=O)c1c(cccc1SC2CCCCC2)F 62a_100011219063_100000210327 [0,1,0,0,0,0|2,0,0]=3 732 B18R2.6475 NC(=O)c1c(cccc1SC2CCCOC2)Cl 62a_100010147686_100000693364 [0,1,0,0,0,0|3,0,0]=4 733 B18R2.6475 NC(=O)c1c(cccc1SC2CCCOC2)F 62a_100011219063_100000693364 [0,1,0,0,0,0|3,0,0]=4 734 B18R2.6475 NC(=O)c1c(cccc1SC2CCOCC2)Cl 62a_100010147686_100011324220 [0,1,0,0,0,0|3,0,0]=4 735 B18R2.6475 NC(=O)c1c(cccc1SC2CCOCC2)F 62a_100011219063_100011324220 [0,1,0,0,0,0|3,0,0]=4 736 B18R2.6475 NC(=O)c1c(cccc1SC2CCSCC2)Cl 62a_100010147686_100000069128 [0,1,0,0,0,0|3,0,0]=4 737 B18R2.6475 NC(=O)c1c(cccc1SC2CCSCC2)F 62a_100011219063_100000069128 [0,1,0,0,0,0|3,0,0]=4 738 B18R2.6475 NC(=O)c1c(cncc1SC2CCCCC2)F 62a_100000210327_100010271514 [0,1,0,0,0,0|3,0,0]=4 739 B18R2.6475 NC(=O)c1c(cncc1SC2CCCCC2)F 62a_100010271514_100000210327 [0,1,0,0,0,0|3,0,0]=4 740 B18R2.6475 O=[N+]([O-])c1c(cccc1NC2CCCCC2)F 34a_100011219493_100000210327 [0,1,0,0,0,0|1,0,1]=3 741 B18R2.6475 O=[N+]([O-])c1c(cccc1NC2CCCOC2)F 34a_100011219493_100000693364 [0,1,0,0,0,0|2,0,1]=4 742 B18R2.6475 O=[N+]([O-])c1c(cccc1NC2CCSCC2)F 34a_100011219493_100000069128 [0,1,0,0,0,0|2,0,1]=4 743 B18R2.6475 O=[N+]([O-])c1c(cccc1OC2CCCCC2)Br 34a_100011934925_100000210327 [0,1,0,0,0,0|2,0,1]=4 744 B18R2.6475 O=[N+]([O-])c1c(cccc1OC2CCCCC2)Br 7a_100011934925_100000210327 [0,1,0,0,0,0|2,0,1]=4 745 B18R2.6475 O=[N+]([O-])c1c(cccc1OC2CCCCC2)Cl 34a_100011999376_100000210327 [0,1,0,0,0,0|2,0,1]=4 746 B18R2.6475 O=[N+]([O-])c1c(cccc1OC2CCCCC2)Cl 7a_100011999376_100000210327 [0,1,0,0,0,0|2,0,1]=4 747 B18R2.6475 O=[N+]([O-])c1c(cccc1OC2CCCCC2)F 34a_100011217962_100000210327 [0,1,0,0,0,0|2,0,1]=4 748 B18R2.6475 O=[N+]([O-])c1c(cccc1OC2CCCCC2)F 7a_100011217962_100000210327 [0,1,0,0,0,0|2,0,1]=4 749 B18R2.6475 O=[N+]([O-])c1c(cccc1OC2CCCCC2)I 7a_100010150324_100000210327 [0,1,0,0,0,0|2,0,1]=4 750 B18R2.6475 OB(O)c1c(cccc1SC2CCCCC2)F 62a_100000210327_100009814739 [0,1,0,0,0,0|2,0,1]=4 751 B18R2.6475 OB(O)c1c(cccc1SC2CCCCC2)F 62a_100009814739_100000210327 [0,1,0,0,0,0|2,0,1]=4 752 B18R2.6545 C=C(C)c1cc(ccc1NC2CCCCC2)F 34a_100009961556_100000210327 [0,1,0,0,0,0|2,0,0]=3 753 B18R2.6545 C=C(C)c1cc(ccc1NC2CCCOC2)F 34a_100009961556_100000693364 [0,1,0,0,0,0|3,0,0]=4 754 B18R2.6545 C=C(C)c1cc(ccc1NC2CCSCC2)F 34a_100009961556_100000069128 [0,1,0,0,0,0|3,0,0]=4 755 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCCC2)Br 34a_100000212127_100000210327 [0,1,0,0,0,0|2,0,0]=3 756 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCCC2)Br 7a_100000212127_100000210327 [0,1,0,0,0,0|2,0,0]=3 757 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCCC2)C 34a_100000195442_100000210327 [0,1,0,0,0,0|2,0,0]=3 758 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCCC2)C 7a_100000195442_100000210327 [0,1,0,0,0,0|2,0,0]=3 759 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCCC2)Cl 34a_100000185566_100000210327 [0,1,0,0,0,0|2,0,0]=3 760 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCCC2)Cl 7a_100000185566_100000210327 [0,1,0,0,0,0|2,0,0]=3 761 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCCC2)F 7a_100000182812_100000210327 [0,1,0,0,0,0|2,0,0]=3 762 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCCC2)I 7a_100010712555_100000210327 [0,1,0,0,0,0|2,0,0]=3 763 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCCC2)N 34a_100011218865_100000210327 [0,1,0,0,0,0|2,0,0]=3 764 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCOC2)Br 34a_100000212127_100000693364 [0,1,0,0,0,0|3,0,0]=4 765 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCOC2)Br 7a_100000212127_100000693364 [0,1,0,0,0,0|3,0,0]=4 766 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCOC2)C 34a_100000195442_100000693364 [0,1,0,0,0,0|3,0,0]=4 767 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCOC2)C 7a_100000195442_100000693364 [0,1,0,0,0,0|3,0,0]=4 768 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCOC2)Cl 34a_100000185566_100000693364 [0,1,0,0,0,0|3,0,0]=4 769 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCOC2)Cl 7a_100000185566_100000693364 [0,1,0,0,0,0|3,0,0]=4 770 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCOC2)F 7a_100000182812_100000693364 [0,1,0,0,0,0|3,0,0]=4 771 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCOC2)I 7a_100010712555_100000693364 [0,1,0,0,0,0|3,0,0]=4 772 B18R2.6545 CC(=O)c1cc(ccc1OC2CCCOC2)N 34a_100011218865_100000693364 [0,1,0,0,0,0|3,0,0]=4 773 B18R2.6545 CC(=O)c1cc(ccc1OC2CCOCC2)Br 7a_100000212127_100000686592 [0,1,0,0,0,0|3,0,0]=4 774 B18R2.6545 CC(=O)c1cc(ccc1OC2CCOCC2)C 7a_100000195442_100000686592 [0,1,0,0,0,0|3,0,0]=4 775 B18R2.6545 CC(=O)c1cc(ccc1OC2CCOCC2)Cl 7a_100000185566_100000686592 [0,1,0,0,0,0|3,0,0]=4 776 B18R2.6545 CC(=O)c1cc(ccc1OC2CCOCC2)F 7a_100000182812_100000686592 [0,1,0,0,0,0|3,0,0]=4 777 B18R2.6545 CC(=O)c1cc(ccc1OC2CCOCC2)I 7a_100010712555_100000686592 [0,1,0,0,0,0|3,0,0]=4 778 B18R2.6545 CC(=O)c1cc(ccc1OC2CCSCC2)Br 34a_100000212127_100000069128 [0,1,0,0,0,0|3,0,0]=4 779 B18R2.6545 CC(=O)c1cc(ccc1OC2CCSCC2)Br 7a_100000212127_100011500858 [0,1,0,0,0,0|3,0,0]=4 780 B18R2.6545 CC(=O)c1cc(ccc1OC2CCSCC2)C 34a_100000195442_100000069128 [0,1,0,0,0,0|3,0,0]=4 781 B18R2.6545 CC(=O)c1cc(ccc1OC2CCSCC2)C 7a_100000195442_100011500858 [0,1,0,0,0,0|3,0,0]=4 782 B18R2.6545 CC(=O)c1cc(ccc1OC2CCSCC2)Cl 34a_100000185566_100000069128 [0,1,0,0,0,0|3,0,0]=4 783 B18R2.6545 CC(=O)c1cc(ccc1OC2CCSCC2)Cl 7a_100000185566_100011500858 [0,1,0,0,0,0|3,0,0]=4 784 B18R2.6545 CC(=O)c1cc(ccc1OC2CCSCC2)F 7a_100000182812_100011500858 [0,1,0,0,0,0|3,0,0]=4 785 B18R2.6545 CC(=O)c1cc(ccc1OC2CCSCC2)I 7a_100010712555_100011500858 [0,1,0,0,0,0|3,0,0]=4 786 B18R2.6545 CC(=O)c1cc(ccc1OC2CCSCC2)N 34a_100011218865_100000069128 [0,1,0,0,0,0|3,0,0]=4 787 B18R2.6545 CC(=O)c1cc(ccc1SC2CCCCC2)C 62a_100000210327_100012361225 [0,1,0,0,0,0|2,0,0]=3 788 B18R2.6545 CC(=O)c1cc(ccc1SC2CCCCC2)C 62a_100012361225_100000210327 [0,1,0,0,0,0|2,0,0]=3 789 B18R2.6545 CC(=O)c1cc(ccc1SC2CCCCC2)F 62a_100000210327_100010200798 [0,1,0,0,0,0|2,0,0]=3 790 B18R2.6545 CC(=O)c1cc(ccc1SC2CCCCC2)F 62a_100012353695_100000210327 [0,1,0,0,0,0|2,0,0]=3 791 B18R2.6545 CC(=O)c1cc(ccc1SC2CCCCC2)N 62a_100012349454_100000210327 [0,1,0,0,0,0|2,0,0]=3 792 B18R2.6545 CC(=O)c1cc(ccc1SC2CCCOC2)Br 62a_100012349576_100000693364 [0,1,0,0,0,0|3,0,0]=4 793 B18R2.6545 CC(=O)c1cc(ccc1SC2CCCOC2)C 62a_100012361225_100000693364 [0,1,0,0,0,0|3,0,0]=4 794 B18R2.6545 CC(=O)c1cc(ccc1SC2CCCOC2)F 62a_100012353695_100000693364 [0,1,0,0,0,0|3,0,0]=4 795 B18R2.6545 CC(=O)c1cc(ccc1SC2CCCOC2)N 62a_100012349454_100000693364 [0,1,0,0,0,0|3,0,0]=4 796 B18R2.6545 CC(=O)c1cc(ccc1SC2CCOCC2)Br 62a_100012349576_100011324220 [0,1,0,0,0,0|3,0,0]=4 797 B18R2.6545 CC(=O)c1cc(ccc1SC2CCOCC2)C 62a_100012361225_100011324220 [0,1,0,0,0,0|3,0,0]=4 798 B18R2.6545 CC(=O)c1cc(ccc1SC2CCOCC2)F 62a_100012353695_100011324220 [0,1,0,0,0,0|3,0,0]=4 799 B18R2.6545 CC(=O)c1cc(ccc1SC2CCOCC2)N 62a_100012349454_100011324220 [0,1,0,0,0,0|3,0,0]=4 800 B18R2.6545 CC(=O)c1cc(ccc1SC2CCSCC2)Br 62a_100012349576_100000069128 [0,1,0,0,0,0|3,0,0]=4 801 B18R2.6545 CC(=O)c1cc(ccc1SC2CCSCC2)C 62a_100012361225_100000069128 [0,1,0,0,0,0|3,0,0]=4 802 B18R2.6545 CC(=O)c1cc(ccc1SC2CCSCC2)F 62a_100012353695_100000069128 [0,1,0,0,0,0|3,0,0]=4 803 B18R2.6545 CC(=O)c1cc(ccc1SC2CCSCC2)N 62a_100012349454_100000069128 [0,1,0,0,0,0|3,0,0]=4 804 B18R2.6545 CC(=O)c1cc(cnc1SC2CCCCC2)F 62a_100000118324_100000210327 [0,1,0,0,0,0|3,0,0]=4 805 B18R2.6545 CC(=O)c1cc(cnc1SC2CCCCC2)F 62a_100000210327_100000118324 [0,1,0,0,0,0|3,0,0]=4 806 B18R2.6545 CC(C)c1cc(ccc1NC2CCCCC2)F 34a_100011941472_100000210327 [0,1,0,0,0,0|2,0,1]=4 807 B18R2.6545 CC(C)c1cc(ccc1NC2CCCCC2)F 7a_100011941472_100000210327 [0,1,0,0,0,0|2,0,1]=4 808 B18R2.6545 CC(O)c1cc(ccc1OC2CCCCC2)F 34a_200011305312_100000210327 [0,1,0,0,0,0|2,0,1]=4 809 B18R2.6545 CC(O)c1cc(ccc1OC2CCCCC2)F 7a_200011305312_100000210327 [0,1,0,0,0,0|2,0,1]=4 810 B18R2.6545 C[C@H](O)c1cc(ccc1SC2CCCCC2)F 62a_100000210327_100134768474 [0,1,0,0,0,0|2,0,1]=4 811 B18R2.6545 C[C@H](O)c1cc(ccc1SC2CCCCC2)F 62a_100134768474_100000210327 [0,1,0,0,0,0|2,0,1]=4 812 B18R2.6545 Cc1ccc(c(c1)B(O)O)SC2CCCCC2 62a_100000210327_200010883979 [0,1,0,0,0,0|2,0,1]=4 813 B18R2.6545 Cc1ccc(c(c1)B(O)O)SC2CCCCC2 62a_200010883979_100000210327 [0,1,0,0,0,0|2,0,1]=4 814 B18R2.6545 Cc1ccc(c(c1)C(=O)N)NC2CCCCC2 34a_100011692829_100000210327 [0,1,0,0,0,0|1,0,0]=2 815 B18R2.6545 Cc1ccc(c(c1)C(=O)N)NC2CCCOC2 34a_100011692829_100000693364 [0,1,0,0,0,0|2,0,0]=3 816 B18R2.6545 Cc1ccc(c(c1)C(=O)N)NC2CCSCC2 34a_100011692829_100000069128 [0,1,0,0,0,0|2,0,0]=3 817 B18R2.6545 Cc1ccc(c(c1)C(=O)N)OC2CCCCC2 34a_200000192840_100000210327 [0,1,0,0,0,0|2,0,0]=3 818 B18R2.6545 Cc1ccc(c(c1)C(=O)N)OC2CCCCC2 7a_200000192840_100000210327 [0,1,0,0,0,0|2,0,0]=3 819 B18R2.6545 Cc1ccc(c(c1)C(=O)N)OC2CCCOC2 34a_200000192840_100000693364 [0,1,0,0,0,0|3,0,0]=4 820 B18R2.6545 Cc1ccc(c(c1)C(=O)N)OC2CCCOC2 7a_200000192840_100000693364 [0,1,0,0,0,0|3,0,0]=4 821 B18R2.6545 Cc1ccc(c(c1)C(=O)N)OC2CCOCC2 7a_200000192840_100000686592 [0,1,0,0,0,0|3,0,0]=4 822 B18R2.6545 Cc1ccc(c(c1)C(=O)N)OC2CCSCC2 34a_200000192840_100000069128 [0,1,0,0,0,0|3,0,0]=4 823 B18R2.6545 Cc1ccc(c(c1)C(=O)N)OC2CCSCC2 7a_200000192840_100011500858 [0,1,0,0,0,0|3,0,0]=4 824 B18R2.6545 Cc1ccc(c(c1)C(=O)N)SC2CCCCC2 62a_100000210327_200012349609 [0,1,0,0,0,0|2,0,0]=3 825 B18R2.6545 Cc1ccc(c(c1)C(=O)N)SC2CCCCC2 62a_200012349609_100000210327 [0,1,0,0,0,0|2,0,0]=3 826 B18R2.6545 Cc1ccc(c(c1)C(=O)N)SC2CCCOC2 62a_200012349609_100000693364 [0,1,0,0,0,0|3,0,0]=4 827 B18R2.6545 Cc1ccc(c(c1)C(=O)N)SC2CCOCC2 62a_200012349609_100011324220 [0,1,0,0,0,0|3,0,0]=4 828 B18R2.6545 Cc1ccc(c(c1)C(=O)N)SC2CCSCC2 62a_200012349609_100000069128 [0,1,0,0,0,0|3,0,0]=4 829 B18R2.6545 Cc1ccc(c(c1)[N+](=O)[O-])OC2CCCCC2 34a_100000195567_100000210327 [0,1,0,0,0,0|2,0,1]=4 830 B18R2.6545 Cc1ccc(c(c1)[N+](=O)[O-])OC2CCCCC2 7a_100000195567_100000210327 [0,1,0,0,0,0|2,0,1]=4 831 B18R2.6545 NC(=O)c1cc(ccc1NC2C=CCCC2)Br 7a_100000740421_100000751183 [0,1,0,0,0,0|1,0,2]=4 832 B18R2.6545 NC(=O)c1cc(ccc1NC2C=CCCC2)Cl 7a_100000743835_100000751183 [0,1,0,0,0,0|1,0,2]=4 833 B18R2.6545 NC(=O)c1cc(ccc1NC2C=CCCC2)F 7a_100000741173_100000751183 [0,1,0,0,0,0|1,0,2]=4 834 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCCC2)Br 27a_100000182618_200000162314 [0,1,0,0,0,0|1,0,0]=2 835 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCCC2)Br 34a_100000740421_100000210327 [0,1,0,0,0,0|1,0,0]=2 836 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCCC2)Br 7a_100000740421_100000210327 [0,1,0,0,0,0|1,0,0]=2 837 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCCC2)Cl 34a_100000743835_100000210327 [0,1,0,0,0,0|1,0,0]=2 838 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCCC2)Cl 7a_100000743835_100000210327 [0,1,0,0,0,0|1,0,0]=2 839 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCCC2)F 34a_100000741173_100000210327 [0,1,0,0,0,0|1,0,0]=2 840 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCCC2)F 7a_100000741173_100000210327 [0,1,0,0,0,0|1,0,0]=2 841 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCOC2)Br 27a_100000719290_200000162314 [0,1,0,0,0,0|2,0,0]=3 842 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCOC2)Br 34a_100000740421_100000693364 [0,1,0,0,0,0|2,0,0]=3 843 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCOC2)Br 7a_100000740421_100000693364 [0,1,0,0,0,0|2,0,0]=3 844 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCOC2)Cl 34a_100000743835_100000693364 [0,1,0,0,0,0|2,0,0]=3 845 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCOC2)Cl 7a_100000743835_100000693364 [0,1,0,0,0,0|2,0,0]=3 846 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCOC2)F 34a_100000741173_100000693364 [0,1,0,0,0,0|2,0,0]=3 847 B18R2.6545 NC(=O)c1cc(ccc1NC2CCCOC2)F 7a_100000741173_100000693364 [0,1,0,0,0,0|2,0,0]=3 848 B18R2.6545 NC(=O)c1cc(ccc1NC2CCOCC2)Br 27a_100000741149_200000162314 [0,1,0,0,0,0|2,0,0]=3 849 B18R2.6545 NC(=O)c1cc(ccc1NC2CCOCC2)Br 7a_100000740421_100000686592 [0,1,0,0,0,0|2,0,0]=3 850 B18R2.6545 NC(=O)c1cc(ccc1NC2CCOCC2)Cl 7a_100000743835_100000686592 [0,1,0,0,0,0|2,0,0]=3 851 B18R2.6545 NC(=O)c1cc(ccc1NC2CCOCC2)F 7a_100000741173_100000686592 [0,1,0,0,0,0|2,0,0]=3 852 B18R2.6545 NC(=O)c1cc(ccc1NC2CCSCC2)Br 27a_100000748639_200000162314 [0,1,0,0,0,0|2,0,0]=3 853 B18R2.6545 NC(=O)c1cc(ccc1NC2CCSCC2)Br 34a_100000740421_100000069128 [0,1,0,0,0,0|2,0,0]=3 854 B18R2.6545 NC(=O)c1cc(ccc1NC2CCSCC2)Br 7a_100000740421_100011500858 [0,1,0,0,0,0|2,0,0]=3 855 B18R2.6545 NC(=O)c1cc(ccc1NC2CCSCC2)Cl 34a_100000743835_100000069128 [0,1,0,0,0,0|2,0,0]=3 856 B18R2.6545 NC(=O)c1cc(ccc1NC2CCSCC2)Cl 7a_100000743835_100011500858 [0,1,0,0,0,0|2,0,0]=3 857 B18R2.6545 NC(=O)c1cc(ccc1NC2CCSCC2)F 34a_100000741173_100000069128 [0,1,0,0,0,0|2,0,0]=3 858 B18R2.6545 NC(=O)c1cc(ccc1NC2CCSCC2)F 7a_100000741173_100011500858 [0,1,0,0,0,0|2,0,0]=3 859 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCCC2)Br 34a_100000192807_100000210327 [0,1,0,0,0,0|2,0,0]=3 860 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCCC2)Br 7a_100000192807_100000210327 [0,1,0,0,0,0|2,0,0]=3 861 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCCC2)Cl 34a_100000185026_100000210327 [0,1,0,0,0,0|2,0,0]=3 862 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCCC2)Cl 7a_100000185026_100000210327 [0,1,0,0,0,0|2,0,0]=3 863 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCCC2)F 34a_100012186459_100000210327 [0,1,0,0,0,0|2,0,0]=3 864 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCCC2)F 7a_100012186459_100000210327 [0,1,0,0,0,0|2,0,0]=3 865 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCCC2)I 34a_100000192813_100000210327 [0,1,0,0,0,0|2,0,0]=3 866 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCCC2)I 7a_100000192813_100000210327 [0,1,0,0,0,0|2,0,0]=3 867 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCOC2)Br 34a_100000192807_100000693364 [0,1,0,0,0,0|3,0,0]=4 868 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCOC2)Br 7a_100000192807_100000693364 [0,1,0,0,0,0|3,0,0]=4 869 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCOC2)Cl 34a_100000185026_100000693364 [0,1,0,0,0,0|3,0,0]=4 870 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCOC2)Cl 7a_100000185026_100000693364 [0,1,0,0,0,0|3,0,0]=4 871 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCOC2)F 34a_100012186459_100000693364 [0,1,0,0,0,0|3,0,0]=4 872 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCOC2)F 7a_100012186459_100000693364 [0,1,0,0,0,0|3,0,0]=4 873 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCOC2)I 34a_100000192813_100000693364 [0,1,0,0,0,0|3,0,0]=4 874 B18R2.6545 NC(=O)c1cc(ccc1OC2CCCOC2)I 7a_100000192813_100000693364 [0,1,0,0,0,0|3,0,0]=4 875 B18R2.6545 NC(=O)c1cc(ccc1OC2CCOCC2)Br 7a_100000192807_100000686592 [0,1,0,0,0,0|3,0,0]=4 876 B18R2.6545 NC(=O)c1cc(ccc1OC2CCOCC2)Cl 7a_100000185026_100000686592 [0,1,0,0,0,0|3,0,0]=4 877 B18R2.6545 NC(=O)c1cc(ccc1OC2CCOCC2)F 7a_100012186459_100000686592 [0,1,0,0,0,0|3,0,0]=4 878 B18R2.6545 NC(=O)c1cc(ccc1OC2CCOCC2)I 7a_100000192813_100000686592 [0,1,0,0,0,0|3,0,0]=4 879 B18R2.6545 NC(=O)c1cc(ccc1OC2CCSCC2)Br 34a_100000192807_100000069128 [0,1,0,0,0,0|3,0,0]=4 880 B18R2.6545 NC(=O)c1cc(ccc1OC2CCSCC2)Br 7a_100000192807_100011500858 [0,1,0,0,0,0|3,0,0]=4 881 B18R2.6545 NC(=O)c1cc(ccc1OC2CCSCC2)Cl 34a_100000185026_100000069128 [0,1,0,0,0,0|3,0,0]=4 882 B18R2.6545 NC(=O)c1cc(ccc1OC2CCSCC2)Cl 7a_100000185026_100011500858 [0,1,0,0,0,0|3,0,0]=4 883 B18R2.6545 NC(=O)c1cc(ccc1OC2CCSCC2)F 34a_100012186459_100000069128 [0,1,0,0,0,0|3,0,0]=4 884 B18R2.6545 NC(=O)c1cc(ccc1OC2CCSCC2)F 7a_100012186459_100011500858 [0,1,0,0,0,0|3,0,0]=4 885 B18R2.6545 NC(=O)c1cc(ccc1OC2CCSCC2)I 34a_100000192813_100000069128 [0,1,0,0,0,0|3,0,0]=4 886 B18R2.6545 NC(=O)c1cc(ccc1OC2CCSCC2)I 7a_100000192813_100011500858 [0,1,0,0,0,0|3,0,0]=4 887 B18R2.6545 NC(=O)c1cc(ccc1SC2CCCCC2)Br 62a_200000162314_100000210327 [0,1,0,0,0,0|2,0,0]=3 888 B18R2.6545 NC(=O)c1cc(ccc1SC2CCCCC2)F 62a_100000206434_100000210327 [0,1,0,0,0,0|2,0,0]=3 889 B18R2.6545 NC(=O)c1cc(ccc1SC2CCCCC2)F 62a_100000210327_100000206434 [0,1,0,0,0,0|2,0,0]=3 890 B18R2.6545 NC(=O)c1cc(ccc1SC2CCCCC2)N 62a_100015186447_100000210327 [0,1,0,0,0,0|2,0,0]=3 891 B18R2.6545 NC(=O)c1cc(ccc1SC2CCCOC2)Br 62a_200000162314_100000693364 [0,1,0,0,0,0|3,0,0]=4 892 B18R2.6545 NC(=O)c1cc(ccc1SC2CCCOC2)F 62a_100000206434_100000693364 [0,1,0,0,0,0|3,0,0]=4 893 B18R2.6545 NC(=O)c1cc(ccc1SC2CCCOC2)N 62a_100015186447_100000693364 [0,1,0,0,0,0|3,0,0]=4 894 B18R2.6545 NC(=O)c1cc(ccc1SC2CCOCC2)Br 62a_200000162314_100011324220 [0,1,0,0,0,0|3,0,0]=4 895 B18R2.6545 NC(=O)c1cc(ccc1SC2CCOCC2)F 62a_100000206434_100011324220 [0,1,0,0,0,0|3,0,0]=4 896 B18R2.6545 NC(=O)c1cc(ccc1SC2CCOCC2)N 62a_100015186447_100011324220 [0,1,0,0,0,0|3,0,0]=4 897 B18R2.6545 NC(=O)c1cc(ccc1SC2CCSCC2)Br 62a_200000162314_100000069128 [0,1,0,0,0,0|3,0,0]=4 898 B18R2.6545 NC(=O)c1cc(ccc1SC2CCSCC2)F 62a_100000206434_100000069128 [0,1,0,0,0,0|3,0,0]=4 899 B18R2.6545 NC(=O)c1cc(ccc1SC2CCSCC2)N 62a_100015186447_100000069128 [0,1,0,0,0,0|3,0,0]=4 900 B18R2.6545 NC(=O)c1cc(cnc1NC2CCCCC2)F 27a_100000182618_100012183597 [0,1,0,0,0,0|2,0,0]=3 901 B18R2.6545 NC(=O)c1cc(cnc1NC2CCCOC2)F 27a_100000719290_100012183597 [0,1,0,0,0,0|3,0,0]=4 902 B18R2.6545 NC(=O)c1cc(cnc1NC2CCOCC2)F 27a_100000741149_100012183597 [0,1,0,0,0,0|3,0,0]=4 903 B18R2.6545 NC(=O)c1cc(cnc1NC2CCSCC2)F 27a_100000748639_100012183597 [0,1,0,0,0,0|3,0,0]=4 904 B18R2.6545 NC(=O)c1cc(cnc1SC2CCCCC2)F 62a_100000210327_100012183597 [0,1,0,0,0,0|3,0,0]=4 905 B18R2.6545 NC(=O)c1cc(cnc1SC2CCCCC2)F 62a_100012183597_100000210327 [0,1,0,0,0,0|3,0,0]=4 906 B18R2.6545 Nc1ccc(c(c1)[N+](=O)[O-])OC2CCCCC2 34a_100000032192_100000210327 [0,1,0,0,0,0|2,0,1]=4 907 B18R2.6545 Nc1ccc(c(c1)[N+](=O)[O-])OC2CCCCC2 7a_100000032192_100000210327 [0,1,0,0,0,0|2,0,1]=4 908 B18R2.6545 O=C(O)c1cc(ccc1SC2C=CCCC2)Br 62a_100011072988_100000751183 [0,1,0,0,0,0|1,0,2]=4 909 B18R2.6545 O=C(O)c1cc(ccc1SC2CCCCC2)Br 62a_100011072988_100000210327 [0,1,0,0,0,0|1,0,0]=2 910 B18R2.6545 O=C(O)c1cc(ccc1SC2CCCOC2)Br 62a_100011072988_100000693364 [0,1,0,0,0,0|2,0,0]=3 911 B18R2.6545 O=C(O)c1cc(ccc1SC2CCOCC2)Br 62a_100011072988_100011324220 [0,1,0,0,0,0|2,0,0]=3 912 B18R2.6545 O=C(O)c1cc(ccc1SC2CCSCC2)Br 62a_100011072988_100000069128 [0,1,0,0,0,0|2,0,0]=3 913 B18R2.6545 O=[N+]([O-])c1cc(ccc1NC2CCCCC2)F 34a_100000187532_100000210327 [0,1,0,0,0,0|1,0,1]=3 914 B18R2.6545 O=[N+]([O-])c1cc(ccc1NC2CCCOC2)F 34a_100000187532_100000693364 [0,1,0,0,0,0|2,0,1]=4 915 B18R2.6545 O=[N+]([O-])c1cc(ccc1NC2CCSCC2)F 34a_100000187532_100000069128 [0,1,0,0,0,0|2,0,1]=4 916 B18R2.6545 O=[N+]([O-])c1cc(ccc1OC2CCCCC2)Br 34a_100000757407_100000210327 [0,1,0,0,0,0|2,0,1]=4 917 B18R2.6545 O=[N+]([O-])c1cc(ccc1OC2CCCCC2)Br 7a_100000757407_100000210327 [0,1,0,0,0,0|2,0,1]=4 918 B18R2.6545 O=[N+]([O-])c1cc(ccc1OC2CCCCC2)Cl 34a_100000212152_100000210327 [0,1,0,0,0,0|2,0,1]=4 919 B18R2.6545 O=[N+]([O-])c1cc(ccc1OC2CCCCC2)Cl 7a_100000212152_100000210327 [0,1,0,0,0,0|2,0,1]=4 920 B18R2.6545 O=[N+]([O-])c1cc(ccc1OC2CCCCC2)F 34a_100000748789_100000210327 [0,1,0,0,0,0|2,0,1]=4 921 B18R2.6545 O=[N+]([O-])c1cc(ccc1OC2CCCCC2)F 7a_100000748789_100000210327 [0,1,0,0,0,0|2,0,1]=4 922 B18R2.6545 O=[N+]([O-])c1cc(ccc1OC2CCCCC2)I 7a_100000698543_100000210327 [0,1,0,0,0,0|2,0,1]=4 923 B18R2.6545 OB(O)c1cc(ccc1SC2CCCCC2)F 62a_100000210327_200009816908 [0,1,0,0,0,0|2,0,1]=4 924 B18R2.6545 OB(O)c1cc(ccc1SC2CCCCC2)F 62a_200009816908_100000210327 [0,1,0,0,0,0|2,0,1]=4 925 B18R2.7139 CC(=O)c1ccccc1C(=O)N2CCCCC2 1458a_100000261135_200000210301 [0,1,0,0,0,0|3,0,0]=4 926 B18R2.7139 CC(=O)c1cccnc1N(C)C2CCCCC2 27a_100000207522_100009816689 [0,1,0,0,0,0|2,0,0]=3 927 B18R2.7139 CC(=O)c1cccnc1N(C)C2CCOCC2 27a_100020587155_100009816689 [0,1,0,0,0,0|3,0,0]=4 928 B18R2.7139 CC(=O)c1cccnc1N(C)C2CCSCC2 27a_100015184757_100009816689 [0,1,0,0,0,0|3,0,0]=4 929 B18R2.7139 CC(=O)c1cnccc1N(C)C2CCCCC2 27a_100000207522_100160469449 [0,1,0,0,0,0|2,0,0]=3 930 B18R2.7139 CC(=O)c1cnccc1N(C)C2CCOCC2 27a_100020587155_100160469449 [0,1,0,0,0,0|3,0,0]=4 931 B18R2.7139 CC(=O)c1cnccc1N(C)C2CCSCC2 27a_100015184757_100160469449 [0,1,0,0,0,0|3,0,0]=4 932 B18R2.7139 CC(=O)c1nccnc1N(C)C2CCCCC2 27a_100000207522_100000099859 [0,1,0,0,0,0|3,0,0]=4 933 B18R2.7139 CC(C)c1ccccc1N(C)C2CCCCC2 269982a_106256037369_100000210327 [0,1,0,0,0,0|2,0,1]=4 934 B18R2.7139 CC(C)c1ccccc1N(C)C2CCCCC2 34a_106256037369_100000210327 [0,1,0,0,0,0|2,0,1]=4 935 B18R2.7139 CN(c1ccccc1C(=O)N)C2C=CCCC2 269982a_100000184419_100000751183 [0,1,0,0,0,0|1,0,2]=4 936 B18R2.7139 CN(c1ccccc1C(=O)N)C2CCCCC2 269982a_100000184419_100000210327 [0,1,0,0,0,0|1,0,0]=2 937 B18R2.7139 CN(c1ccccc1C(=O)N)C2CCCOC2 269982a_100000184419_100000693364 [0,1,0,0,0,0|2,0,0]=3 938 B18R2.7139 CN(c1ccccc1C(=O)N)C2CCOCC2 269982a_100000184419_100011324220 [0,1,0,0,0,0|2,0,0]=3 939 B18R2.7139 CN(c1ccccc1C(=O)N)C2CCSCC2 269982a_100000184419_100000069128 [0,1,0,0,0,0|2,0,0]=3 940 B18R2.7139 CN(c1ccccc1[N+](=O)[O-])C2CCCCC2 2230a_100000251146_200000210301 [0,1,0,0,0,0|1,0,1]=3 941 B18R2.7139 CN(c1ccccc1[N+](=O)[O-])C2CCCCC2 269982a_100000156515_100000210327 [0,1,0,0,0,0|1,0,1]=3 942 B18R2.7139 CN(c1ccccc1[N+](=O)[O-])C2CCCCC2 269982a_100000251146_200000210301 [0,1,0,0,0,0|1,0,1]=3 943 B18R2.7139 CN(c1ccccc1[N+](=O)[O-])C2CCCCC2 34a_100000251146_200000210301 [0,1,0,0,0,0|1,0,1]=3 944 B18R2.7139 CN(c1ccccc1[N+](=O)[O-])C2CCCCC2 7a_100000251146_200000210301 [0,1,0,0,0,0|1,0,1]=3 945 B18R2.7139 CN(c1ccccc1[N+](=O)[O-])C2CCCOC2 269982a_100000156515_100000693364 [0,1,0,0,0,0|2,0,1]=4 946 B18R2.7139 CN(c1ccccc1[N+](=O)[O-])C2CCOCC2 269982a_100000156515_100011324220 [0,1,0,0,0,0|2,0,1]=4 947 B18R2.7139 CN(c1ccccc1[N+](=O)[O-])C2CCSCC2 269982a_100000156515_100000069128 [0,1,0,0,0,0|2,0,1]=4 948 B18R2.7139 CN(c1cccnc1C(=O)N)C2CCCCC2 27a_100000207522_200012359670 [0,1,0,0,0,0|2,0,0]=3 949 B18R2.7139 CN(c1cccnc1C(=O)N)C2CCOCC2 27a_100020587155_200012359670 [0,1,0,0,0,0|3,0,0]=4 950 B18R2.7139 CN(c1cccnc1C(=O)N)C2CCSCC2 27a_100015184757_200012359670 [0,1,0,0,0,0|3,0,0]=4 951 B18R2.7139 CN(c1ccncc1C(=O)N)C2CCCCC2 27a_100000207522_100000697804 [0,1,0,0,0,0|2,0,0]=3 952 B18R2.7139 CN(c1ccncc1C(=O)N)C2CCOCC2 27a_100020587155_100000697804 [0,1,0,0,0,0|3,0,0]=4 953 B18R2.7139 CN(c1ccncc1C(=O)N)C2CCSCC2 27a_100015184757_100000697804 [0,1,0,0,0,0|3,0,0]=4 954 B18R2.7139 CN(c1ncccc1C(=O)N)C2CCCCC2 27a_100000207522_100000162199 [0,1,0,0,0,0|2,0,0]=3 955 B18R2.7139 CN(c1ncccc1C(=O)N)C2CCOCC2 27a_100020587155_100000162199 [0,1,0,0,0,0|3,0,0]=4 956 B18R2.7139 CN(c1ncccc1C(=O)N)C2CCSCC2 27a_100015184757_100000162199 [0,1,0,0,0,0|3,0,0]=4 957 B18R2.7139 CN(c1nccnc1C(=O)N)C2CCCCC2 27a_100000207522_100000094861 [0,1,0,0,0,0|3,0,0]=4 958 B18R2.7139 CS(=O)c1ccccc1C(=O)C2CCCCC2 1458a_100000204632_100000210327 [0,1,0,0,0,0|3,0,0]=4 959 B18R2.7139 O=C(c1ccccc1I(=O)=O)C2CCCCC2 1458a_100000061294_100000210327 [0,1,0,0,0,0|2,0,1]=4 960 B18R2.7139 O=C(c1ccccc1[N+](=O)[O-])C2CCCCC2 1458a_100000188706_100000210327 [0,1,0,0,0,0|2,0,1]=4 961 B18R2.7139 [13CH3]C(=O)c1ccccc1C(=O)N2CCCCC2 1458a_100000261135_200025704644 [0,1,0,0,0,0|3,0,0]=4 962 B18R2.7139 [13CH3]N(c1ccccc1[N+](=O)[O-])C2CCCCC2 2230a_100000251146_200025704644 [0,1,0,0,0,0|1,0,1]=3 963 B18R2.7139 [13CH3]N(c1ccccc1[N+](=O)[O-])C2CCCCC2 269982a_100000251146_200025704644 [0,1,0,0,0,0|1,0,1]=3 964 B18R2.7139 [13CH3]N(c1ccccc1[N+](=O)[O-])C2CCCCC2 34a_100000251146_200025704644 [0,1,0,0,0,0|1,0,1]=3 965 B18R2.7139 [13CH3]N(c1ccccc1[N+](=O)[O-])C2CCCCC2 7a_100000251146_200025704644 [0,1,0,0,0,0|1,0,1]=3 966 B18R2.9309 CC(=NO)c1ccccc1OC2CCCCC2 34a_100000164216_100000210327 [0,1,0,0,0,0|2,0,0]=3 967 B18R2.9309 CC(=NO)c1ccccc1OC2CCCOC2 34a_100000164216_100000693364 [0,1,0,0,0,0|3,0,0]=4 968 B18R2.9309 CC(=NO)c1ccccc1OC2CCSCC2 34a_100000164216_100000069128 [0,1,0,0,0,0|3,0,0]=4 969 B18R2.9309 CCC(=O)c1ccccc1CN2CCCCC2 1458a_100011301541_100000210202 [0,1,0,0,0,0|3,0,0]=4 970 B18R2.9309 CCC(=O)c1ccccc1OC2CCCCC2 7a_100000184720_100000210327 [0,1,0,0,0,0|2,0,0]=3 971 B18R2.9309 CCC(=O)c1ccccc1OC2CCCOC2 7a_100000184720_100000693364 [0,1,0,0,0,0|3,0,0]=4 972 B18R2.9309 CCC(=O)c1ccccc1OC2CCOCC2 7a_100000184720_100000686592 [0,1,0,0,0,0|3,0,0]=4 973 B18R2.9309 CCC(=O)c1ccccc1OC2CCSCC2 7a_100000184720_100011500858 [0,1,0,0,0,0|3,0,0]=4 974 B18R2.9309 CCC(C)c1ccccc1NC2CCCCC2 7a_200000211393_100000210327 [0,1,0,0,0,0|2,0,1]=4 975 B18R2.9309 CNC(=O)c1ccccc1CN2CCCCC2 240690a_100102657272_100011301541 [0,1,0,0,0,0|3,0,0]=4 976 B18R2.9309 CNC(=O)c1ccccc1NC2CCCCC2 27a_100000182618_100000155073 [0,1,0,0,0,0|1,0,0]=2 977 B18R2.9309 CNC(=O)c1ccccc1NC2CCCCC2 34a_100000185696_100000210327 [0,1,0,0,0,0|1,0,0]=2 978 B18R2.9309 CNC(=O)c1ccccc1NC2CCCOC2 27a_100000719290_100000155073 [0,1,0,0,0,0|2,0,0]=3 979 B18R2.9309 CNC(=O)c1ccccc1NC2CCCOC2 34a_100000185696_100000693364 [0,1,0,0,0,0|2,0,0]=3 980 B18R2.9309 CNC(=O)c1ccccc1NC2CCOCC2 27a_100000741149_100000155073 [0,1,0,0,0,0|2,0,0]=3 981 B18R2.9309 CNC(=O)c1ccccc1NC2CCSCC2 27a_100000748639_100000155073 [0,1,0,0,0,0|2,0,0]=3 982 B18R2.9309 CNC(=O)c1ccccc1NC2CCSCC2 34a_100000185696_100000069128 [0,1,0,0,0,0|2,0,0]=3 983 B18R2.9309 CNC(=O)c1ccccc1OC2CCCCC2 34a_100000185920_100000210327 [0,1,0,0,0,0|2,0,0]=3 984 B18R2.9309 CNC(=O)c1ccccc1OC2CCCCC2 7a_100000185920_100000210327 [0,1,0,0,0,0|2,0,0]=3 985 B18R2.9309 CNC(=O)c1ccccc1OC2CCCOC2 34a_100000185920_100000693364 [0,1,0,0,0,0|3,0,0]=4 986 B18R2.9309 CNC(=O)c1ccccc1OC2CCCOC2 7a_100000185920_100000693364 [0,1,0,0,0,0|3,0,0]=4 987 B18R2.9309 CNC(=O)c1ccccc1OC2CCOCC2 7a_100000185920_100000686592 [0,1,0,0,0,0|3,0,0]=4 988 B18R2.9309 CNC(=O)c1ccccc1OC2CCSCC2 34a_100000185920_100000069128 [0,1,0,0,0,0|3,0,0]=4 989 B18R2.9309 CNC(=O)c1ccccc1OC2CCSCC2 7a_100000185920_100011500858 [0,1,0,0,0,0|3,0,0]=4 990 B18R2.9309 CNC(=O)c1ccccc1SC2CCCCC2 62a_100000155073_100000210327 [0,1,0,0,0,0|2,0,0]=3 991 B18R2.9309 CNC(=O)c1ccccc1SC2CCCCC2 62a_100000210327_100000155073 [0,1,0,0,0,0|2,0,0]=3 992 B18R2.9309 CNC(=O)c1ccccc1SC2CCCOC2 62a_100000155073_100000693364 [0,1,0,0,0,0|3,0,0]=4 993 B18R2.9309 CNC(=O)c1ccccc1SC2CCOCC2 62a_100000155073_100011324220 [0,1,0,0,0,0|3,0,0]=4 994 B18R2.9309 CNC(=O)c1ccccc1SC2CCSCC2 62a_100000155073_100000069128 [0,1,0,0,0,0|3,0,0]=4 995 B18R2.9309 CNC(=O)c1cccnc1NC2CCCCC2 27a_100000182618_100000159833 [0,1,0,0,0,0|2,0,0]=3 996 B18R2.9309 CNC(=O)c1cccnc1NC2CCCOC2 27a_100000719290_100000159833 [0,1,0,0,0,0|3,0,0]=4 997 B18R2.9309 CNC(=O)c1cccnc1NC2CCOCC2 27a_100000741149_100000159833 [0,1,0,0,0,0|3,0,0]=4 998 B18R2.9309 CNC(=O)c1cccnc1NC2CCSCC2 27a_100000748639_100000159833 [0,1,0,0,0,0|3,0,0]=4 999 B18R2.9309 CNC(=O)c1cccnc1SC2CCCCC2 62a_100000159833_100000210327 [0,1,0,0,0,0|3,0,0]=4 1000 B18R2.9309 CNC(=O)c1cccnc1SC2CCCCC2 62a_100000210327_100000159833 [0,1,0,0,0,0|3,0,0]=4 1001 B18R2.9309 CNC(=O)c1ncccc1OC2CCCCC2 34a_100011376092_100000210327 [0,1,0,0,0,0|3,0,0]=4 1002 B18R2.9309 CNC(=O)c1ncccc1OC2CCCCC2 7a_100011376092_100000210327 [0,1,0,0,0,0|3,0,0]=4 1003 B18R2.9309 COC(=O)c1ccccc1CN2CCCOC2 2230a_100000131196_100000744672 [0,1,0,0,0,0|3,0,0]=4 1004 B18R2.9309 COC(=O)c1ccccc1CN2CCCOC2 269982a_100000131196_100000744672 [0,1,0,0,0,0|3,0,0]=4 1005 B18R2.9309 COC(=O)c1ccccc1CN2CCCOC2 34a_100000131196_100000744672 [0,1,0,0,0,0|3,0,0]=4 1006 B18R2.9309 COC(=O)c1ccccc1CN2CCOCC2 2230a_100015191051_100000744672 [0,1,0,0,0,0|3,0,0]=4 1007 B18R2.9309 COC(=O)c1ccccc1CN2CCOCC2 269982a_100015191051_100000744672 [0,1,0,0,0,0|3,0,0]=4 1008 B18R2.9309 COC(=O)c1ccccc1CN2CCOCC2 34a_100015191051_100000744672 [0,1,0,0,0,0|3,0,0]=4 1009 B18R2.9309 COC(=O)c1ccccc1CN2CCSCC2 2230a_100000737611_100000744672 [0,1,0,0,0,0|3,0,0]=4 1010 B18R2.9309 COC(=O)c1ccccc1CN2CCSCC2 269982a_100000737611_100000744672 [0,1,0,0,0,0|3,0,0]=4 1011 B18R2.9309 COC(=O)c1ccccc1OC2C=CCCC2 7a_100000150335_100000751183 [0,1,0,0,0,0|1,0,2]=4 1012 B18R2.9309 COC(=O)c1ccccc1OC2CCCCC2 7a_100000150335_100000210327 [0,1,0,0,0,0|1,0,0]=2 1013 B18R2.9309 COC(=O)c1ccccc1OC2CCCOC2 7a_100000150335_100000693364 [0,1,0,0,0,0|2,0,0]=3 1014 B18R2.9309 COC(=O)c1ccccc1OC2CCOCC2 7a_100000150335_100000686592 [0,1,0,0,0,0|2,0,0]=3 1015 B18R2.9309 COC(=O)c1ccccc1OC2CCSCC2 7a_100000150335_100011500858 [0,1,0,0,0,0|2,0,0]=3 1016 B18R2.9309 COC(=O)c1ccccc1SC2C=CCCC2 62a_100000148710_100000751183 [0,1,0,0,0,0|1,0,2]=4 1017 B18R2.9309 COC(=O)c1ccccc1SC2C=CCCC2 62a_100000751183_100000148710 [0,1,0,0,0,0|1,0,2]=4 1018 B18R2.9309 COC(=O)c1ccccc1SC2CCCCC2 62a_100000148710_100000210327 [0,1,0,0,0,0|1,0,0]=2 1019 B18R2.9309 COC(=O)c1ccccc1SC2CCCCC2 62a_100000210327_100000148710 [0,1,0,0,0,0|1,0,0]=2 1020 B18R2.9309 COC(=O)c1ccccc1SC2CCCOC2 62a_100000148710_100000693364 [0,1,0,0,0,0|2,0,0]=3 1021 B18R2.9309 COC(=O)c1ccccc1SC2CCOCC2 62a_100000148710_100011324220 [0,1,0,0,0,0|2,0,0]=3 1022 B18R2.9309 COC(=O)c1ccccc1SC2CCSCC2 62a_100000148710_100000069128 [0,1,0,0,0,0|2,0,0]=3 1023 B18R2.9309 COC(=O)c1cccnc1NC2CCCCC2 27a_100000182618_100000150852 [0,1,0,0,0,0|1,0,0]=2 1024 B18R2.9309 COC(=O)c1cccnc1NC2CCCOC2 27a_100000719290_100000150852 [0,1,0,0,0,0|2,0,0]=3 1025 B18R2.9309 COC(=O)c1cccnc1NC2CCOCC2 27a_100000741149_100000150852 [0,1,0,0,0,0|2,0,0]=3 1026 B18R2.9309 COC(=O)c1cccnc1NC2CCSCC2 27a_100000748639_100000150852 [0,1,0,0,0,0|2,0,0]=3 1027 B18R2.9309 COC(=O)c1cccnc1SC2CCCCC2 62a_100000210327_100000150852 [0,1,0,0,0,0|2,0,0]=3 1028 B18R2.9309 COC(=O)c1cccnc1SC2CCCCC2 62a_100011587185_100000210327 [0,1,0,0,0,0|2,0,0]=3 1029 B18R2.9309 COC(=O)c1cccnc1SC2CCCOC2 62a_100011587185_100000693364 [0,1,0,0,0,0|3,0,0]=4 1030 B18R2.9309 COC(=O)c1cccnc1SC2CCOCC2 62a_100011587185_100011324220 [0,1,0,0,0,0|3,0,0]=4 1031 B18R2.9309 COC(=O)c1cccnc1SC2CCSCC2 62a_100011587185_100000069128 [0,1,0,0,0,0|3,0,0]=4 1032 B18R2.9309 COC(=O)c1ccncc1SC2CCCCC2 62a_100000210327_100010008606 [0,1,0,0,0,0|2,0,0]=3 1033 B18R2.9309 COC(=O)c1ccncc1SC2CCCCC2 62a_100010008606_100000210327 [0,1,0,0,0,0|2,0,0]=3 1034 B18R2.9309 COC(=O)c1ccncc1SC2CCCOC2 62a_100010008606_100000693364 [0,1,0,0,0,0|3,0,0]=4 1035 B18R2.9309 COC(=O)c1ccncc1SC2CCOCC2 62a_100010008606_100011324220 [0,1,0,0,0,0|3,0,0]=4 1036 B18R2.9309 COC(=O)c1ccncc1SC2CCSCC2 62a_100010008606_100000069128 [0,1,0,0,0,0|3,0,0]=4 1037 B18R2.9309 COC(=O)c1cnccc1SC2CCCCC2 62a_100000210327_100020629055 [0,1,0,0,0,0|2,0,0]=3 1038 B18R2.9309 COC(=O)c1cnccc1SC2CCCCC2 62a_100020629055_100000210327 [0,1,0,0,0,0|2,0,0]=3 1039 B18R2.9309 COC(=O)c1cnccc1SC2CCCOC2 62a_100020629055_100000693364 [0,1,0,0,0,0|3,0,0]=4 1040 B18R2.9309 COC(=O)c1cnccc1SC2CCOCC2 62a_100020629055_100011324220 [0,1,0,0,0,0|3,0,0]=4 1041 B18R2.9309 COC(=O)c1cnccc1SC2CCSCC2 62a_100020629055_100000069128 [0,1,0,0,0,0|3,0,0]=4 1042 B18R2.9309 COC(=O)c1cncnc1NC2CCCCC2 27a_100000182618_100000726419 [0,1,0,0,0,0|2,0,0]=3 1043 B18R2.9309 COC(=O)c1cncnc1NC2CCCOC2 27a_100000719290_100000726419 [0,1,0,0,0,0|3,0,0]=4 1044 B18R2.9309 COC(=O)c1cncnc1NC2CCOCC2 27a_100000741149_100000726419 [0,1,0,0,0,0|3,0,0]=4 1045 B18R2.9309 COC(=O)c1cncnc1NC2CCSCC2 27a_100000748639_100000726419 [0,1,0,0,0,0|3,0,0]=4 1046 B18R2.9309 COC(=O)c1cncnc1SC2CCCCC2 62a_100000210327_100000726419 [0,1,0,0,0,0|3,0,0]=4 1047 B18R2.9309 COC(=O)c1cncnc1SC2CCCCC2 62a_100000726419_100000210327 [0,1,0,0,0,0|3,0,0]=4 1048 B18R2.9309 COC(=O)c1ncccc1OC2CCCCC2 34a_100000744052_100000210327 [0,1,0,0,0,0|2,0,0]=3 1049 B18R2.9309 COC(=O)c1ncccc1OC2CCCCC2 7a_100000744052_100000210327 [0,1,0,0,0,0|2,0,0]=3 1050 B18R2.9309 COC(=O)c1ncccc1OC2CCCOC2 34a_100000744052_100000693364 [0,1,0,0,0,0|3,0,0]=4 1051 B18R2.9309 COC(=O)c1ncccc1OC2CCCOC2 7a_100000744052_100000693364 [0,1,0,0,0,0|3,0,0]=4 1052 B18R2.9309 COC(=O)c1ncccc1OC2CCOCC2 7a_100000744052_100000686592 [0,1,0,0,0,0|3,0,0]=4 1053 B18R2.9309 COC(=O)c1ncccc1OC2CCSCC2 34a_100000744052_100000069128 [0,1,0,0,0,0|3,0,0]=4 1054 B18R2.9309 COC(=O)c1ncccc1OC2CCSCC2 7a_100000744052_100011500858 [0,1,0,0,0,0|3,0,0]=4 1055 B18R2.9309 COC(=O)c1ncccc1SC2CCCCC2 62a_100000210327_100011935214 [0,1,0,0,0,0|2,0,0]=3 1056 B18R2.9309 COC(=O)c1ncccc1SC2CCCCC2 62a_100011935214_100000210327 [0,1,0,0,0,0|2,0,0]=3 1057 B18R2.9309 COC(=O)c1ncccc1SC2CCCOC2 62a_100011935214_100000693364 [0,1,0,0,0,0|3,0,0]=4 1058 B18R2.9309 COC(=O)c1ncccc1SC2CCOCC2 62a_100011935214_100011324220 [0,1,0,0,0,0|3,0,0]=4 1059 B18R2.9309 COC(=O)c1ncccc1SC2CCSCC2 62a_100011935214_100000069128 [0,1,0,0,0,0|3,0,0]=4 1060 B18R2.9309 COC(=O)c1nccnc1NC2CCCCC2 27a_100000182618_100000079898 [0,1,0,0,0,0|2,0,0]=3 1061 B18R2.9309 COC(=O)c1nccnc1NC2CCCOC2 27a_100000719290_100000079898 [0,1,0,0,0,0|3,0,0]=4 1062 B18R2.9309 COC(=O)c1nccnc1NC2CCOCC2 27a_100000741149_100000079898 [0,1,0,0,0,0|3,0,0]=4 1063 B18R2.9309 COC(=O)c1nccnc1NC2CCSCC2 27a_100000748639_100000079898 [0,1,0,0,0,0|3,0,0]=4 1064 B18R2.9309 COC(=O)c1nccnc1SC2CCCCC2 62a_100000210327_100000079898 [0,1,0,0,0,0|3,0,0]=4 1065 B18R2.9309 COC(=O)c1nccnc1SC2CCCCC2 62a_100000688410_100000210327 [0,1,0,0,0,0|3,0,0]=4 1066 B18R2.9309 COC(=O)c1ncncc1SC2CCCCC2 62a_100000210327_100012360100 [0,1,0,0,0,0|3,0,0]=4 1067 B18R2.9309 COC(=O)c1ncncc1SC2CCCCC2 62a_100012360100_100000210327 [0,1,0,0,0,0|3,0,0]=4 1068 B18R2.9309 NCC(O)c1ccccc1SC2CCCCC2 62a_100000210327_100011236429 [0,1,0,0,0,0|2,0,1]=4 1069 B18R2.9309 NCC(O)c1ccccc1SC2CCCCC2 62a_100011236429_100000210327 [0,1,0,0,0,0|2,0,1]=4 1070 B18R2.9309 NNC(=O)c1ccccc1OC2CCCCC2 34a_100000186518_100000210327 [0,1,0,0,0,0|2,0,0]=3 1071 B18R2.9309 NNC(=O)c1ccccc1OC2CCCOC2 34a_100000186518_100000693364 [0,1,0,0,0,0|3,0,0]=4 1072 B18R2.9309 NNC(=O)c1ccccc1OC2CCSCC2 34a_100000186518_100000069128 [0,1,0,0,0,0|3,0,0]=4 1073 B18R2.9309 NNC(=O)c1ccccc1SC2CCCCC2 62a_100000190081_100000210327 [0,1,0,0,0,0|2,0,0]=3 1074 B18R2.9309 NNC(=O)c1ccccc1SC2CCCCC2 62a_100000210327_100000190081 [0,1,0,0,0,0|2,0,0]=3 1075 B18R2.9309 NNC(=O)c1ccccc1SC2CCCOC2 62a_100000190081_100000693364 [0,1,0,0,0,0|3,0,0]=4 1076 B18R2.9309 NNC(=O)c1ccccc1SC2CCOCC2 62a_100000190081_100011324220 [0,1,0,0,0,0|3,0,0]=4 1077 B18R2.9309 NNC(=O)c1ccccc1SC2CCSCC2 62a_100000190081_100000069128 [0,1,0,0,0,0|3,0,0]=4 1078 B18R2.9309 N[C@H](CO)c1ccccc1SC2CCCCC2 62a_100000210327_100161155918 [0,1,0,0,0,0|2,0,1]=4 1079 B18R2.9309 N[C@H](CO)c1ccccc1SC2CCCCC2 62a_100161155918_100000210327 [0,1,0,0,0,0|2,0,1]=4 1080 B18R2.9309 O=C(CBr)c1ccccc1OC2CCCCC2 7a_100000188908_100000210327 [0,1,0,0,0,0|2,0,0]=3 1081 B18R2.9309 O=C(CBr)c1ccccc1OC2CCCOC2 7a_100000188908_100000693364 [0,1,0,0,0,0|3,0,0]=4 1082 B18R2.9309 O=C(CBr)c1ccccc1OC2CCOCC2 7a_100000188908_100000686592 [0,1,0,0,0,0|3,0,0]=4 1083 B18R2.9309 O=C(CBr)c1ccccc1OC2CCSCC2 7a_100000188908_100011500858 [0,1,0,0,0,0|3,0,0]=4 1084 B18R2.9309 O=C(CF)c1ccccc1CN2CCCCC2 1458a_100011301541_100015361967 [0,1,0,0,0,0|3,0,0]=4 1085 B18R2.9309 O=C(NO)c1ccccc1OC2CCCCC2 34a_100000188472_100000210327 [0,1,0,0,0,0|1,0,0]=2 1086 B18R2.9309 O=C(NO)c1ccccc1OC2CCCOC2 34a_100000188472_100000693364 [0,1,0,0,0,0|2,0,0]=3 1087 B18R2.9309 O=C(NO)c1ccccc1OC2CCSCC2 34a_100000188472_100000069128 [0,1,0,0,0,0|2,0,0]=3 1088 B18R2.9309 O=C(O[Na])c1ccccc1SC2C=CCCC2 62a_100000751183_114855342371 [0,1,0,0,0,0|1,0,2]=4 1089 B18R2.9309 O=C(O[Na])c1ccccc1SC2CCCCC2 62a_100000210327_114855342371 [0,1,0,0,0,0|1,0,0]=2 1090 B18R2.14530 CC(C)(C)c1ccccc1NC2CCCCC2 34a_100000211005_100000210327 [0,1,0,0,0,0|2,0,1]=4 1091 B18R2.14530 CC(C)(C)c1ccccc1NC2CCCCC2 7a_100000211005_100000210327 [0,1,0,0,0,0|2,0,1]=4 1092 B18R2.14530 CC(C)(O)c1ccccc1NC2CCCCC2 34a_100000081495_100000210327 [0,1,0,0,0,0|1,0,1]=3 1093 B18R2.14530 CC(C)(O)c1ccccc1NC2CCCCC2 7a_100000081495_100000210327 [0,1,0,0,0,0|1,0,1]=3 1094 B18R2.14530 CC(C)(O)c1ccccc1NC2CCCOC2 34a_100000081495_100000693364 [0,1,0,0,0,0|2,0,1]=4 1095 B18R2.14530 CC(C)(O)c1ccccc1NC2CCCOC2 7a_100000081495_100000693364 [0,1,0,0,0,0|2,0,1]=4 1096 B18R2.14530 CC(C)(O)c1ccccc1NC2CCOCC2 7a_100000081495_100000686592 [0,1,0,0,0,0|2,0,1]=4 1097 B18R2.14530 CC(C)(O)c1ccccc1NC2CCSCC2 34a_100000081495_100000069128 [0,1,0,0,0,0|2,0,1]=4 1098 B18R2.14530 CC(C)(O)c1ccccc1NC2CCSCC2 7a_100000081495_100011500858 [0,1,0,0,0,0|2,0,1]=4 1099 B18R2.14530 CC(C)(O)c1ccccc1SC2CCCCC2 62a_100000210327_100011346021 [0,1,0,0,0,0|2,0,1]=4 1100 B18R2.14530 CC(C)(O)c1ccccc1SC2CCCCC2 62a_100011346021_100000210327 [0,1,0,0,0,0|2,0,1]=4 1101 B18R2.14530 CP(=O)(C)c1ccccc1NC2CCCCC2 34a_100010749338_100000210327 [0,1,0,0,0,0|2,0,0]=3 1102 B18R2.14530 CP(=O)(C)c1ccccc1NC2CCCOC2 34a_100010749338_100000693364 [0,1,0,0,0,0|3,0,0]=4 1103 B18R2.14530 CP(=O)(C)c1ccccc1NC2CCSCC2 34a_100010749338_100000069128 [0,1,0,0,0,0|3,0,0]=4 1104 B18R2.14530 CS(=O)(=O)c1ccccc1NC2CCCCC2 34a_100000241000_100000210327 [0,1,0,0,0,0|1,0,1]=3 1105 B18R2.14530 CS(=O)(=O)c1ccccc1NC2CCCCC2 7a_100000241000_100000210327 [0,1,0,0,0,0|1,0,1]=3 1106 B18R2.14530 CS(=O)(=O)c1ccccc1NC2CCCOC2 34a_100000241000_100000693364 [0,1,0,0,0,0|2,0,1]=4 1107 B18R2.14530 CS(=O)(=O)c1ccccc1NC2CCCOC2 7a_100000241000_100000693364 [0,1,0,0,0,0|2,0,1]=4 1108 B18R2.14530 CS(=O)(=O)c1ccccc1NC2CCOCC2 7a_100000241000_100000686592 [0,1,0,0,0,0|2,0,1]=4 1109 B18R2.14530 CS(=O)(=O)c1ccccc1NC2CCSCC2 34a_100000241000_100000069128 [0,1,0,0,0,0|2,0,1]=4 1110 B18R2.14530 CS(=O)(=O)c1ccccc1NC2CCSCC2 7a_100000241000_100011500858 [0,1,0,0,0,0|2,0,1]=4 1111 B18R2.14530 CS(=O)(=O)c1ccccc1OC2CCCCC2 34a_100000054562_100000210327 [0,1,0,0,0,0|2,0,1]=4 1112 B18R2.14530 CS(=O)(=O)c1ccccc1OC2CCCCC2 7a_100000054562_100000210327 [0,1,0,0,0,0|2,0,1]=4 1113 B18R2.14530 CS(=O)(=O)c1ccccc1SC2CCCCC2 62a_100000210327_100000751929 [0,1,0,0,0,0|2,0,1]=4 1114 B18R2.14530 CS(=O)(=O)c1ccccc1SC2CCCCC2 62a_100000751929_100000210327 [0,1,0,0,0,0|2,0,1]=4 1115 B18R2.14530 FC(F)(F)c1ccccc1NC2CCCCC2 34a_100000210055_100000210327 [0,1,0,0,0,0|2,0,1]=4 1116 B18R2.14530 FC(F)(F)c1ccccc1NC2CCCCC2 7a_100000210055_100000210327 [0,1,0,0,0,0|2,0,1]=4 1117 B18R2.14530 NS(=O)(=O)c1ccccc1NC2CCCCC2 34a_100011204920_100000210327 [0,1,0,0,0,0|1,0,1]=3 1118 B18R2.14530 NS(=O)(=O)c1ccccc1NC2CCCOC2 34a_100011204920_100000693364 [0,1,0,0,0,0|2,0,1]=4 1119 B18R2.14530 NS(=O)(=O)c1ccccc1NC2CCSCC2 34a_100011204920_100000069128 [0,1,0,0,0,0|2,0,1]=4 1120 B18R2.14530 NS(=O)(=O)c1ccccc1SC2CCCCC2 62a_100000164562_100000210327 [0,1,0,0,0,0|2,0,1]=4 1121 B18R2.14530 NS(=O)(=O)c1cccnc1NC2CCCCC2 27a_100000182618_100000740416 [0,1,0,0,0,0|2,0,1]=4 1122 B18R2.14530 NS(=O)(=O)c1cnccc1NC2CCCCC2 27a_100000182618_100011216116 [0,1,0,0,0,0|2,0,1]=4 1123 B18R2.38897 CC(=O)c1cccc(c1OC2CCCCC2)C 34a_100009847209_100000210327 [0,1,0,0,0,0|2,0,0]=3 1124 B18R2.38897 CC(=O)c1cccc(c1OC2CCCCC2)C 7a_100009847209_100000210327 [0,1,0,0,0,0|2,0,0]=3 1125 B18R2.38897 CC(=O)c1cccc(c1OC2CCCCC2)Cl 34a_100000043392_100000210327 [0,1,0,0,0,0|2,0,0]=3 1126 B18R2.38897 CC(=O)c1cccc(c1OC2CCCCC2)Cl 7a_100000043392_100000210327 [0,1,0,0,0,0|2,0,0]=3 1127 B18R2.38897 CC(=O)c1cccc(c1OC2CCCCC2)F 34a_100011246037_100000210327 [0,1,0,0,0,0|2,0,0]=3 1128 B18R2.38897 CC(=O)c1cccc(c1OC2CCCCC2)F 7a_100011246037_100000210327 [0,1,0,0,0,0|2,0,0]=3 1129 B18R2.38897 CC(=O)c1cccc(c1OC2CCCOC2)C 34a_100009847209_100000693364 [0,1,0,0,0,0|3,0,0]=4 1130 B18R2.38897 CC(=O)c1cccc(c1OC2CCCOC2)C 7a_100009847209_100000693364 [0,1,0,0,0,0|3,0,0]=4 1131 B18R2.38897 CC(=O)c1cccc(c1OC2CCCOC2)Cl 34a_100000043392_100000693364 [0,1,0,0,0,0|3,0,0]=4 1132 B18R2.38897 CC(=O)c1cccc(c1OC2CCCOC2)Cl 7a_100000043392_100000693364 [0,1,0,0,0,0|3,0,0]=4 1133 B18R2.38897 CC(=O)c1cccc(c1OC2CCCOC2)F 34a_100011246037_100000693364 [0,1,0,0,0,0|3,0,0]=4 1134 B18R2.38897 CC(=O)c1cccc(c1OC2CCCOC2)F 7a_100011246037_100000693364 [0,1,0,0,0,0|3,0,0]=4 1135 B18R2.38897 CC(=O)c1cccc(c1OC2CCOCC2)C 7a_100009847209_100000686592 [0,1,0,0,0,0|3,0,0]=4 1136 B18R2.38897 CC(=O)c1cccc(c1OC2CCOCC2)Cl 7a_100000043392_100000686592 [0,1,0,0,0,0|3,0,0]=4 1137 B18R2.38897 CC(=O)c1cccc(c1OC2CCOCC2)F 7a_100011246037_100000686592 [0,1,0,0,0,0|3,0,0]=4 1138 B18R2.38897 CC(=O)c1cccc(c1OC2CCSCC2)C 34a_100009847209_100000069128 [0,1,0,0,0,0|3,0,0]=4 1139 B18R2.38897 CC(=O)c1cccc(c1OC2CCSCC2)C 7a_100009847209_100011500858 [0,1,0,0,0,0|3,0,0]=4 1140 B18R2.38897 CC(=O)c1cccc(c1OC2CCSCC2)Cl 34a_100000043392_100000069128 [0,1,0,0,0,0|3,0,0]=4 1141 B18R2.38897 CC(=O)c1cccc(c1OC2CCSCC2)Cl 7a_100000043392_100011500858 [0,1,0,0,0,0|3,0,0]=4 1142 B18R2.38897 CC(=O)c1cccc(c1OC2CCSCC2)F 34a_100011246037_100000069128 [0,1,0,0,0,0|3,0,0]=4 1143 B18R2.38897 CC(=O)c1cccc(c1OC2CCSCC2)F 7a_100011246037_100011500858 [0,1,0,0,0,0|3,0,0]=4 1144 B18R2.38897 CC(=O)c1cccc(c1SC2CCCCC2)F 62a_100000210327_100012362612 [0,1,0,0,0,0|2,0,0]=3 1145 B18R2.38897 CC(=O)c1cccc(c1SC2CCCCC2)F 62a_100012362612_100000210327 [0,1,0,0,0,0|2,0,0]=3 1146 B18R2.38897 CC(=O)c1cccc(c1SC2CCCOC2)F 62a_100012362612_100000693364 [0,1,0,0,0,0|3,0,0]=4 1147 B18R2.38897 CC(=O)c1cccc(c1SC2CCOCC2)F 62a_100012362612_100011324220 [0,1,0,0,0,0|3,0,0]=4 1148 B18R2.38897 CC(=O)c1cccc(c1SC2CCSCC2)F 62a_100012362612_100000069128 [0,1,0,0,0,0|3,0,0]=4 1149 B18R2.38897 Cc1cccc(c1NC2CCCCC2)C(=O)N 34a_100000223273_100000210327 [0,1,0,0,0,0|1,0,0]=2 1150 B18R2.38897 Cc1cccc(c1NC2CCCCC2)C(C)C 34a_100138557336_100000210327 [0,1,0,0,0,0|2,0,1]=4 1151 B18R2.38897 Cc1cccc(c1NC2CCCCC2)C(C)C 7a_100138557336_100000210327 [0,1,0,0,0,0|2,0,1]=4 1152 B18R2.38897 Cc1cccc(c1NC2CCCOC2)C(=O)N 34a_100000223273_100000693364 [0,1,0,0,0,0|2,0,0]=3 1153 B18R2.38897 Cc1cccc(c1NC2CCSCC2)C(=O)N 34a_100000223273_100000069128 [0,1,0,0,0,0|2,0,0]=3 1154 B18R2.38897 Cc1cccc(c1OC2CCCCC2)[N+](=O)[O-] 34a_100000763257_100000210327 [0,1,0,0,0,0|2,0,1]=4 1155 B18R2.38897 Cc1cccc(c1OC2CCCCC2)[N+](=O)[O-] 7a_100000763257_100000210327 [0,1,0,0,0,0|2,0,1]=4 1156 B18R2.38897 Cc1cccc(c1SC2CCCCC2)B(O)O 62a_100000210327_100046285795 [0,1,0,0,0,0|2,0,1]=4 1157 B18R2.38897 Cc1cccc(c1SC2CCCCC2)B(O)O 62a_100046285795_100000210327 [0,1,0,0,0,0|2,0,1]=4 1158 B18R2.38897 Cc1cccc(c1SC2CCCCC2)C(=O)N 62a_100000210327_200011409216 [0,1,0,0,0,0|2,0,0]=3 1159 B18R2.38897 Cc1cccc(c1SC2CCCCC2)C(=O)N 62a_200011409216_100000210327 [0,1,0,0,0,0|2,0,0]=3 1160 B18R2.38897 Cc1cccc(c1SC2CCCOC2)C(=O)N 62a_200011409216_100000693364 [0,1,0,0,0,0|3,0,0]=4 1161 B18R2.38897 Cc1cccc(c1SC2CCOCC2)C(=O)N 62a_200011409216_100011324220 [0,1,0,0,0,0|3,0,0]=4 1162 B18R2.38897 Cc1cccc(c1SC2CCSCC2)C(=O)N 62a_200011409216_100000069128 [0,1,0,0,0,0|3,0,0]=4 1163 B18R2.38897 NC(=O)c1cccc(c1NC2CCCCC2)Cl 34a_200011997947_100000210327 [0,1,0,0,0,0|1,0,0]=2 1164 B18R2.38897 NC(=O)c1cccc(c1NC2CCCCC2)F 34a_100011722151_100000210327 [0,1,0,0,0,0|1,0,0]=2 1165 B18R2.38897 NC(=O)c1cccc(c1NC2CCCOC2)Cl 34a_200011997947_100000693364 [0,1,0,0,0,0|2,0,0]=3 1166 B18R2.38897 NC(=O)c1cccc(c1NC2CCCOC2)F 34a_100011722151_100000693364 [0,1,0,0,0,0|2,0,0]=3 1167 B18R2.38897 NC(=O)c1cccc(c1NC2CCSCC2)Cl 34a_200011997947_100000069128 [0,1,0,0,0,0|2,0,0]=3 1168 B18R2.38897 NC(=O)c1cccc(c1NC2CCSCC2)F 34a_100011722151_100000069128 [0,1,0,0,0,0|2,0,0]=3 1169 B18R2.38897 NC(=O)c1cccc(c1OC2CCCCC2)Cl 34a_100009868166_100000210327 [0,1,0,0,0,0|2,0,0]=3 1170 B18R2.38897 NC(=O)c1cccc(c1OC2CCCCC2)Cl 7a_100009868166_100000210327 [0,1,0,0,0,0|2,0,0]=3 1171 B18R2.38897 NC(=O)c1cccc(c1OC2CCCCC2)F 34a_100009886295_100000210327 [0,1,0,0,0,0|2,0,0]=3 1172 B18R2.38897 NC(=O)c1cccc(c1OC2CCCCC2)F 7a_100009886295_100000210327 [0,1,0,0,0,0|2,0,0]=3 1173 B18R2.38897 NC(=O)c1cccc(c1OC2CCCOC2)Cl 34a_100009868166_100000693364 [0,1,0,0,0,0|3,0,0]=4 1174 B18R2.38897 NC(=O)c1cccc(c1OC2CCCOC2)Cl 7a_100009868166_100000693364 [0,1,0,0,0,0|3,0,0]=4 1175 B18R2.38897 NC(=O)c1cccc(c1OC2CCCOC2)F 34a_100009886295_100000693364 [0,1,0,0,0,0|3,0,0]=4 1176 B18R2.38897 NC(=O)c1cccc(c1OC2CCCOC2)F 7a_100009886295_100000693364 [0,1,0,0,0,0|3,0,0]=4 1177 B18R2.38897 NC(=O)c1cccc(c1OC2CCOCC2)Cl 7a_100009868166_100000686592 [0,1,0,0,0,0|3,0,0]=4 1178 B18R2.38897 NC(=O)c1cccc(c1OC2CCOCC2)F 7a_100009886295_100000686592 [0,1,0,0,0,0|3,0,0]=4 1179 B18R2.38897 NC(=O)c1cccc(c1OC2CCSCC2)Cl 34a_100009868166_100000069128 [0,1,0,0,0,0|3,0,0]=4 1180 B18R2.38897 NC(=O)c1cccc(c1OC2CCSCC2)Cl 7a_100009868166_100011500858 [0,1,0,0,0,0|3,0,0]=4 1181 B18R2.38897 NC(=O)c1cccc(c1OC2CCSCC2)F 34a_100009886295_100000069128 [0,1,0,0,0,0|3,0,0]=4 1182 B18R2.38897 NC(=O)c1cccc(c1OC2CCSCC2)F 7a_100009886295_100011500858 [0,1,0,0,0,0|3,0,0]=4 1183 B18R2.38897 NC(=O)c1cccc(c1SC2CCCCC2)F 62a_100000210327_200012351544 [0,1,0,0,0,0|2,0,0]=3 1184 B18R2.38897 NC(=O)c1cccc(c1SC2CCCCC2)F 62a_200012351544_100000210327 [0,1,0,0,0,0|2,0,0]=3 1185 B18R2.38897 NC(=O)c1cccc(c1SC2CCCOC2)F 62a_200012351544_100000693364 [0,1,0,0,0,0|3,0,0]=4 1186 B18R2.38897 NC(=O)c1cccc(c1SC2CCOCC2)F 62a_200012351544_100011324220 [0,1,0,0,0,0|3,0,0]=4 1187 B18R2.38897 NC(=O)c1cccc(c1SC2CCSCC2)F 62a_200012351544_100000069128 [0,1,0,0,0,0|3,0,0]=4 1188 B18R2.38897 O=[N+]([O-])c1cccc(c1NC2CCCCC2)F 34a_100000687224_100000210327 [0,1,0,0,0,0|1,0,1]=3 1189 B18R2.38897 O=[N+]([O-])c1cccc(c1NC2CCCOC2)F 34a_100000687224_100000693364 [0,1,0,0,0,0|2,0,1]=4 1190 B18R2.38897 O=[N+]([O-])c1cccc(c1NC2CCSCC2)F 34a_100000687224_100000069128 [0,1,0,0,0,0|2,0,1]=4 1191 B18R2.38897 O=[N+]([O-])c1cccc(c1OC2CCCCC2)Br 34a_100000689966_100000210327 [0,1,0,0,0,0|2,0,1]=4 1192 B18R2.38897 O=[N+]([O-])c1cccc(c1OC2CCCCC2)Cl 34a_100000686934_100000210327 [0,1,0,0,0,0|2,0,1]=4 1193 B18R2.38897 O=[N+]([O-])c1cccc(c1OC2CCCCC2)Cl 7a_100000686934_100000210327 [0,1,0,0,0,0|2,0,1]=4 1194 B18R2.38897 O=[N+]([O-])c1cccc(c1OC2CCCCC2)F 34a_100000690172_100000210327 [0,1,0,0,0,0|2,0,1]=4 1195 B18R2.38897 OB(O)c1cccc(c1SC2CCCCC2)F 62a_100000210327_100011016267 [0,1,0,0,0,0|2,0,1]=4 1196 B18R2.38897 OB(O)c1cccc(c1SC2CCCCC2)F 62a_100011016267_100000210327 [0,1,0,0,0,0|2,0,1]=4 1197 B18R2.553592 CC(=O)c1cccnc1NC2(CCOCC2)C 27a_100000692449_100009816689 [0,1,0,0,0,0|3,0,0]=4 1198 B18R2.553592 CC(=O)c1cnccc1NC2(CCOCC2)C 27a_100000692449_100160469449 [0,1,0,0,0,0|3,0,0]=4 1199 B18R2.553592 CC1(CCOCC1)Nc2cccnc2C(=O)N 27a_100000692449_200012359670 [0,1,0,0,0,0|3,0,0]=4 1200 B18R2.553592 CC1(CCOCC1)Nc2ccncc2C(=O)N 27a_100000692449_100000697804 [0,1,0,0,0,0|3,0,0]=4 1201 B18R2.553592 CC1(CCOCC1)Nc2ncccc2C(=O)N 27a_100000692449_100000162199 [0,1,0,0,0,0|3,0,0]=4 1202 B16R1.3900 C#CCCCCNc1ccccc1C(=O)N 34a_100000185089_100010269958 [0,0,1,0,0,0|1,0,2]=4 1203 B16R1.3900 C#CCCCCSc1ccccc1C(=O)O 62a_100010269958_100000734275 [0,0,1,0,0,0|1,0,2]=4 1204 B16R1.3900 C#CCCCCSc1ccccc1C(=O)O 62a_202125556159_100010269958 [0,0,1,0,0,0|1,0,2]=4 1205 B16R1.3900 C=C(C)c1ccccc1NCCCCCC 34a_100000037685_100000210314 [0,0,1,0,0,0|2,0,0]=3 1206 B16R1.3900 C=C(C)c1ccccc1NCCCCCF 34a_100000037685_100000729378 [0,0,1,0,0,0|3,0,0]=4 1207 B16R1.3900 C=C(C)c1ccccc1NCCCCCO 34a_100000037685_100000746330 [0,0,1,0,0,0|3,0,0]=4 1208 B16R1.3900 C=C(C)c1ccccc1NCCCCOC 34a_100000037685_100000755781 [0,0,1,0,0,0|3,0,0]=4 1209 B16R1.3900 C=C(C)c1ccccc1NCCCOCC 34a_100000037685_100012232248 [0,0,1,0,0,0|3,0,0]=4 1210 B16R1.3900 C=C(C)c1ccccc1NCCOCCC 34a_100000037685_100011215938 [0,0,1,0,0,0|3,0,0]=4 1211 B16R1.3900 C=C(C)c1ccccc1NCOCCCC 34a_100000037685_100011995733 [0,0,1,0,0,0|3,0,0]=4 1212 B16R1.3900 C=CCCCCNc1ccccc1C(=O)N 34a_100000185089_100011215482 [0,0,1,0,0,0|1,0,2]=4 1213 B16R1.3900 C=CCCCCSc1ccccc1C(=O)O 62a_100011215482_100000734275 [0,0,1,0,0,0|1,0,2]=4 1214 B16R1.3900 C=CCCCCSc1ccccc1C(=O)O 62a_202125556159_100011215482 [0,0,1,0,0,0|1,0,2]=4 1215 B16R1.3900 CC(=O)c1ccccc1SCCCCCF 62a_100000751169_100000729378 [0,0,1,0,0,0|3,0,0]=4 1216 B16R1.3900 CC(=O)c1ccccc1SCCCCCO 62a_100000751169_100000746330 [0,0,1,0,0,0|3,0,0]=4 1217 B16R1.3900 CC(=O)c1cccnc1NCCCCCO 27a_100000762737_100009816689 [0,0,1,0,0,0|3,0,0]=4 1218 B16R1.3900 CC(=O)c1cnccc1NCCCCCO 27a_100000762737_100160469449 [0,0,1,0,0,0|3,0,0]=4 1219 B16R1.3900 CC(O)c1ccccc1NCCCCCF 2230a_100011405641_100000729378 [0,0,1,0,0,0|2,0,1]=4 1220 B16R1.3900 CC(O)c1ccccc1NCCCCCO 2230a_100011405641_100000746330 [0,0,1,0,0,0|2,0,1]=4 1221 B16R1.3900 CC/C=C\CCNc1ccccc1C(=O)N 34a_100000185089_100015370543 [0,0,1,0,0,0|1,0,2]=4 1222 B16R1.3900 CC/C=C\CCSc1ccccc1C(=O)O 62a_100015370543_100000734275 [0,0,1,0,0,0|1,0,2]=4 1223 B16R1.3900 CC/C=C\CCSc1ccccc1C(=O)O 62a_202125556159_100015370543 [0,0,1,0,0,0|1,0,2]=4 1224 B16R1.3900 CCCCCC=Cc1ccccc1C(=O)C 271570a_100000062253_100000751169 [0,0,1,0,0,0|2,0,1]=4 1225 B16R1.3900 CCCCCC=Cc1ccccc1C(=O)N 271570a_100000062253_100000162227 [0,0,1,0,0,0|2,0,1]=4 1226 B16R1.3900 CCCCCCNc1ccccc1C(=O)N 34a_100000185089_100000210314 [0,0,1,0,0,0|1,0,0]=2 1227 B16R1.3900 CCCCCCNc1ccccc1C(C)C 2230a_100000210643_100000210314 [0,0,1,0,0,0|2,0,1]=4 1228 B16R1.3900 CCCCCCNc1ccccc1C(C)C 34a_100000210643_100000210314 [0,0,1,0,0,0|2,0,1]=4 1229 B16R1.3900 CCCCCCNc1ccccc1C(C)C 7a_100000210643_100000210314 [0,0,1,0,0,0|2,0,1]=4 1230 B16R1.3900 CCCCCCNc1ccccc1C(C)O 2230a_100011405641_100000210314 [0,0,1,0,0,0|1,0,1]=3 1231 B16R1.3900 CCCCCCNc1ccccc1C(F)F 2230a_100000734540_100000210314 [0,0,1,0,0,0|2,0,1]=4 1232 B16R1.3900 CCCCCCNc1ccccc1C(F)F 34a_100000734540_100000210314 [0,0,1,0,0,0|2,0,1]=4 1233 B16R1.3900 CCCCCCNc1ccccc1C(F)F 7a_100000734540_100000210314 [0,0,1,0,0,0|2,0,1]=4 1234 B16R1.3900 CCCCCCNc1cccnc1C(=O)N 27a_100000210581_200012359670 [0,0,1,0,0,0|2,0,0]=3 1235 B16R1.3900 CCCCCCNc1ccncc1C(=O)C 27a_100000210581_100160469449 [0,0,1,0,0,0|2,0,0]=3 1236 B16R1.3900 CCCCCCNc1ccncc1C(=O)N 27a_100000210581_100000697804 [0,0,1,0,0,0|2,0,0]=3 1237 B16R1.3900 CCCCCCNc1ncccc1C(=O)C 27a_100000210581_100009816689 [0,0,1,0,0,0|2,0,0]=3 1238 B16R1.3900 CCCCCCNc1ncccc1C(=O)N 27a_100000210581_100000162199 [0,0,1,0,0,0|2,0,0]=3 1239 B16R1.3900 CCCCCCNc1nccnc1C(=O)C 27a_100000210581_100000099859 [0,0,1,0,0,0|3,0,0]=4 1240 B16R1.3900 CCCCCCNc1nccnc1C(=O)N 27a_100000210581_100000094861 [0,0,1,0,0,0|3,0,0]=4 1241 B16R1.3900 CCCCCCOc1ccccc1C(=O)N 34a_100000192804_100000210314 [0,0,1,0,0,0|2,0,0]=3 1242 B16R1.3900 CCCCCCOc1ccccc1C(=O)N 7a_100000192804_100000210314 [0,0,1,0,0,0|2,0,0]=3 1243 B16R1.3900 CCCCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210314 [0,0,1,0,0,0|1,0,1]=3 1244 B16R1.3900 CCCCCCOc1ccccc1C(=S)N 7a_100000745089_100000210314 [0,0,1,0,0,0|2,1,0]=4 1245 B16R1.3900 CCCCCCOc1ccccc1C(C)O 34a_200011232679_100000210314 [0,0,1,0,0,0|2,0,1]=4 1246 B16R1.3900 CCCCCCOc1ccccc1C(C)O 7a_200011232679_100000210314 [0,0,1,0,0,0|2,0,1]=4 1247 B16R1.3900 CCCCCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210314 [0,0,1,0,0,0|2,0,1]=4 1248 B16R1.3900 CCCCCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210314 [0,0,1,0,0,0|2,0,1]=4 1249 B16R1.3900 CCCCCCOc1cccnc1C(=O)C 34a_100000087166_100000210314 [0,0,1,0,0,0|3,0,0]=4 1250 B16R1.3900 CCCCCCOc1cccnc1C(=O)C 7a_100000087166_100000210314 [0,0,1,0,0,0|3,0,0]=4 1251 B16R1.3900 CCCCCCOc1cccnc1C(=O)N 34a_200011215183_100000210314 [0,0,1,0,0,0|3,0,0]=4 1252 B16R1.3900 CCCCCCOc1cccnc1C(=O)N 7a_200011215183_100000210314 [0,0,1,0,0,0|3,0,0]=4 1253 B16R1.3900 CCCCCCOc1ccncc1C(=O)N 34a_200011998761_100000210314 [0,0,1,0,0,0|3,0,0]=4 1254 B16R1.3900 CCCCCCOc1cnccc1C(=O)C 7a_100009872882_100000210314 [0,0,1,0,0,0|3,0,0]=4 1255 B16R1.3900 CCCCCCOc1cnccc1C(=O)N 7a_100012022987_100000210314 [0,0,1,0,0,0|3,0,0]=4 1256 B16R1.3900 CCCCCCSc1ccccc1B(O)O 62a_100000210314_100000693059 [0,0,1,0,0,0|2,0,1]=4 1257 B16R1.3900 CCCCCCSc1ccccc1B(O)O 62a_100000693059_100000210757 [0,0,1,0,0,0|2,0,1]=4 1258 B16R1.3900 CCCCCCSc1ccccc1C(=O)C 62a_100000751169_100000210757 [0,0,1,0,0,0|2,0,0]=3 1259 B16R1.3900 CCCCCCSc1ccccc1C(=O)N 62a_100000162227_100000210757 [0,0,1,0,0,0|2,0,0]=3 1260 B16R1.3900 CCCCCCSc1ccccc1C(=O)N 62a_100000210314_100000162227 [0,0,1,0,0,0|2,0,0]=3 1261 B16R1.3900 CCCCCCSc1ccccc1C(=O)O 62a_100000210314_100000734275 [0,0,1,0,0,0|1,0,0]=2 1262 B16R1.3900 CCCCCCSc1ccccc1C(=O)O 62a_202125556159_100000210757 [0,0,1,0,0,0|1,0,0]=2 1263 B16R1.3900 CCCCCCSc1ccccc1C(C)O 62a_100000210314_100000702211 [0,0,1,0,0,0|2,0,1]=4 1264 B16R1.3900 CCCCCCSc1ccccc1C(C)O 62a_100000702211_100000210757 [0,0,1,0,0,0|2,0,1]=4 1265 B16R1.3900 CCCCCCSc1ccccc1S(=O)C 62a_100000734199_100000210757 [0,0,1,0,0,0|3,0,0]=4 1266 B16R1.3900 CCCCCCSc1cccnc1C(=O)C 62a_100000210314_100012348690 [0,0,1,0,0,0|3,0,0]=4 1267 B16R1.3900 CCCCCCSc1cccnc1C(=O)C 62a_100012348690_100000210757 [0,0,1,0,0,0|3,0,0]=4 1268 B16R1.3900 CCCCCCSc1cccnc1C(=O)N 62a_100000210314_200012359670 [0,0,1,0,0,0|3,0,0]=4 1269 B16R1.3900 CCCCCCSc1cccnc1C(=O)N 62a_200012359670_100000210757 [0,0,1,0,0,0|3,0,0]=4 1270 B16R1.3900 CCCCCCSc1ccncc1C(=O)C 62a_100000210314_100160469449 [0,0,1,0,0,0|3,0,0]=4 1271 B16R1.3900 CCCCCCSc1ccncc1C(=O)C 62a_100160469449_100000210757 [0,0,1,0,0,0|3,0,0]=4 1272 B16R1.3900 CCCCCCSc1ccncc1C(=O)N 62a_100000210314_100000697804 [0,0,1,0,0,0|3,0,0]=4 1273 B16R1.3900 CCCCCCSc1ccncc1C(=O)N 62a_100000697804_100000210757 [0,0,1,0,0,0|3,0,0]=4 1274 B16R1.3900 CCCCCCSc1cnccc1C(=O)C 62a_100000210314_100009993184 [0,0,1,0,0,0|3,0,0]=4 1275 B16R1.3900 CCCCCCSc1cnccc1C(=O)C 62a_100009993184_100000210757 [0,0,1,0,0,0|3,0,0]=4 1276 B16R1.3900 CCCCCCSc1cnccc1C(=O)N 62a_100000210314_100010205435 [0,0,1,0,0,0|3,0,0]=4 1277 B16R1.3900 CCCCCCSc1cnccc1C(=O)N 62a_100010205435_100000210757 [0,0,1,0,0,0|3,0,0]=4 1278 B16R1.3900 CCCCCCSc1ncccc1C(=O)C 62a_100000210314_100000753718 [0,0,1,0,0,0|3,0,0]=4 1279 B16R1.3900 CCCCCCSc1ncccc1C(=O)C 62a_100000753718_100000210757 [0,0,1,0,0,0|3,0,0]=4 1280 B16R1.3900 CCCCCCSc1ncccc1C(=O)N 62a_100000162199_100000210757 [0,0,1,0,0,0|3,0,0]=4 1281 B16R1.3900 CCCCCCSc1ncccc1C(=O)N 62a_100000210314_100000162199 [0,0,1,0,0,0|3,0,0]=4 1282 B16R1.3900 CCCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210326 [0,0,1,0,0,0|2,0,0]=3 1283 B16R1.3900 CCCCOCNc1ccccc1C(=O)N 34a_100000185089_100011995733 [0,0,1,0,0,0|2,0,0]=3 1284 B16R1.3900 CCCCOCNc1ccccc1C(C)O 2230a_100011405641_100011995733 [0,0,1,0,0,0|2,0,1]=4 1285 B16R1.3900 CCCCOCOc1ccccc1C(=O)N 34a_100000192804_100011995733 [0,0,1,0,0,0|3,0,0]=4 1286 B16R1.3900 CCCCOCSc1ccccc1C(=O)C 62a_100000751169_100011995733 [0,0,1,0,0,0|3,0,0]=4 1287 B16R1.3900 CCCCOCSc1ccccc1C(=O)N 62a_100000162227_100011995733 [0,0,1,0,0,0|3,0,0]=4 1288 B16R1.3900 CCCCOCSc1ccccc1C(=O)N 62a_100011995733_100000162227 [0,0,1,0,0,0|3,0,0]=4 1289 B16R1.3900 CCCCOCSc1ccccc1C(=O)O 62a_100011995733_100000734275 [0,0,1,0,0,0|2,0,0]=3 1290 B16R1.3900 CCCCOCSc1ccccc1C(=O)O 62a_202125556159_100011995733 [0,0,1,0,0,0|2,0,0]=3 1291 B16R1.3900 CCCOCCNc1ccccc1C(=O)N 34a_100000185089_100011215938 [0,0,1,0,0,0|2,0,0]=3 1292 B16R1.3900 CCCOCCNc1ccccc1C(C)O 2230a_100011405641_100011215938 [0,0,1,0,0,0|2,0,1]=4 1293 B16R1.3900 CCCOCCNc1cccnc1C(=O)N 27a_100161115042_200012359670 [0,0,1,0,0,0|3,0,0]=4 1294 B16R1.3900 CCCOCCNc1ccncc1C(=O)C 27a_100161115042_100160469449 [0,0,1,0,0,0|3,0,0]=4 1295 B16R1.3900 CCCOCCNc1ccncc1C(=O)N 27a_100161115042_100000697804 [0,0,1,0,0,0|3,0,0]=4 1296 B16R1.3900 CCCOCCNc1ncccc1C(=O)C 27a_100161115042_100009816689 [0,0,1,0,0,0|3,0,0]=4 1297 B16R1.3900 CCCOCCNc1ncccc1C(=O)N 27a_100161115042_100000162199 [0,0,1,0,0,0|3,0,0]=4 1298 B16R1.3900 CCCOCCOc1ccccc1C(=O)C 34a_100000210258_100000184561 [0,0,1,0,0,0|3,0,0]=4 1299 B16R1.3900 CCCOCCOc1ccccc1C(=O)N 34a_100000192804_100011215938 [0,0,1,0,0,0|3,0,0]=4 1300 B16R1.3900 CCCOCCOc1ccccc1C(=O)N 7a_100000192804_100011215938 [0,0,1,0,0,0|3,0,0]=4 1301 B16R1.3900 CCCOCCOc1ccccc1C(=O)[O-] 7a_100015234032_100011215938 [0,0,1,0,0,0|2,0,1]=4 1302 B16R1.3900 CCCOCCSc1ccccc1C(=O)C 62a_100000751169_100011215938 [0,0,1,0,0,0|3,0,0]=4 1303 B16R1.3900 CCCOCCSc1ccccc1C(=O)N 62a_100000162227_100011215938 [0,0,1,0,0,0|3,0,0]=4 1304 B16R1.3900 CCCOCCSc1ccccc1C(=O)N 62a_100011215938_100000162227 [0,0,1,0,0,0|3,0,0]=4 1305 B16R1.3900 CCCOCCSc1ccccc1C(=O)O 62a_100011215938_100000734275 [0,0,1,0,0,0|2,0,0]=3 1306 B16R1.3900 CCCOCCSc1ccccc1C(=O)O 62a_202125556159_100011215938 [0,0,1,0,0,0|2,0,0]=3 1307 B16R1.3900 CCCSCCNc1cccnc1C(=O)N 27a_100020603323_200012359670 [0,0,1,0,0,0|3,0,0]=4 1308 B16R1.3900 CCCSCCNc1ccncc1C(=O)C 27a_100020603323_100160469449 [0,0,1,0,0,0|3,0,0]=4 1309 B16R1.3900 CCCSCCNc1ccncc1C(=O)N 27a_100020603323_100000697804 [0,0,1,0,0,0|3,0,0]=4 1310 B16R1.3900 CCCSCCNc1ncccc1C(=O)C 27a_100020603323_100009816689 [0,0,1,0,0,0|3,0,0]=4 1311 B16R1.3900 CCCSCCNc1ncccc1C(=O)N 27a_100020603323_100000162199 [0,0,1,0,0,0|3,0,0]=4 1312 B16R1.3900 CCCSCCOc1ccccc1C(=O)C 62a_100000184561_100000210303 [0,0,1,0,0,0|3,0,0]=4 1313 B16R1.3900 CCCSCCOc1ccccc1C(=O)C 62a_100000210303_100000184561 [0,0,1,0,0,0|3,0,0]=4 1314 B16R1.3900 CCOCCCNc1ccccc1C(=O)N 34a_100000185089_100012232248 [0,0,1,0,0,0|2,0,0]=3 1315 B16R1.3900 CCOCCCNc1ccccc1C(C)O 2230a_100011405641_100012232248 [0,0,1,0,0,0|2,0,1]=4 1316 B16R1.3900 CCOCCCNc1cccnc1C(=O)N 27a_100000210961_200012359670 [0,0,1,0,0,0|3,0,0]=4 1317 B16R1.3900 CCOCCCNc1ccncc1C(=O)C 27a_100000210961_100160469449 [0,0,1,0,0,0|3,0,0]=4 1318 B16R1.3900 CCOCCCNc1ccncc1C(=O)N 27a_100000210961_100000697804 [0,0,1,0,0,0|3,0,0]=4 1319 B16R1.3900 CCOCCCNc1ncccc1C(=O)C 27a_100000210961_100009816689 [0,0,1,0,0,0|3,0,0]=4 1320 B16R1.3900 CCOCCCNc1ncccc1C(=O)N 27a_100000210961_100000162199 [0,0,1,0,0,0|3,0,0]=4 1321 B16R1.3900 CCOCCCOc1ccccc1C(=O)N 34a_100000192804_100012232248 [0,0,1,0,0,0|3,0,0]=4 1322 B16R1.3900 CCOCCCOc1ccccc1C(=O)N 7a_100000192804_100012232248 [0,0,1,0,0,0|3,0,0]=4 1323 B16R1.3900 CCOCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100012232248 [0,0,1,0,0,0|2,0,1]=4 1324 B16R1.3900 CCOCCCSc1ccccc1C(=O)C 62a_100000751169_100012232248 [0,0,1,0,0,0|3,0,0]=4 1325 B16R1.3900 CCOCCCSc1ccccc1C(=O)N 62a_100000162227_100012232248 [0,0,1,0,0,0|3,0,0]=4 1326 B16R1.3900 CCOCCCSc1ccccc1C(=O)N 62a_100012232248_100000162227 [0,0,1,0,0,0|3,0,0]=4 1327 B16R1.3900 CCOCCCSc1ccccc1C(=O)O 62a_100012232248_100000734275 [0,0,1,0,0,0|2,0,0]=3 1328 B16R1.3900 CCOCCCSc1ccccc1C(=O)O 62a_202125556159_100012232248 [0,0,1,0,0,0|2,0,0]=3 1329 B16R1.3900 CCOCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210147 [0,0,1,0,0,0|3,0,0]=4 1330 B16R1.3900 CCSCCNCc1ccccc1C(=O)O 269956a_100015183376_100000757381 [0,0,1,0,0,0|3,0,0]=4 1331 B16R1.3900 COCCCCNc1ccccc1C(=O)N 34a_100000185089_100000755781 [0,0,1,0,0,0|2,0,0]=3 1332 B16R1.3900 COCCCCNc1ccccc1C(C)O 2230a_100011405641_100000730899 [0,0,1,0,0,0|2,0,1]=4 1333 B16R1.3900 COCCCCOc1ccccc1C(=O)N 34a_100000192804_100000755781 [0,0,1,0,0,0|3,0,0]=4 1334 B16R1.3900 COCCCCOc1ccccc1C(=O)N 7a_100000192804_100000730899 [0,0,1,0,0,0|3,0,0]=4 1335 B16R1.3900 COCCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000730899 [0,0,1,0,0,0|2,0,1]=4 1336 B16R1.3900 COCCCCSc1ccccc1C(=O)C 62a_100000751169_100000730899 [0,0,1,0,0,0|3,0,0]=4 1337 B16R1.3900 COCCCCSc1ccccc1C(=O)N 62a_100000162227_100000730899 [0,0,1,0,0,0|3,0,0]=4 1338 B16R1.3900 COCCCCSc1ccccc1C(=O)N 62a_100000730899_100000162227 [0,0,1,0,0,0|3,0,0]=4 1339 B16R1.3900 COCCCCSc1ccccc1C(=O)O 62a_100000730899_100000734275 [0,0,1,0,0,0|2,0,0]=3 1340 B16R1.3900 COCCCCSc1ccccc1C(=O)O 62a_202125556159_100000730899 [0,0,1,0,0,0|2,0,0]=3 1341 B16R1.3900 COCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000740836 [0,0,1,0,0,0|3,0,0]=4 1342 B16R1.3900 COCCOCSc1ccccc1C(=O)O 62a_100000231047_100000734275 [0,0,1,0,0,0|3,0,0]=4 1343 B16R1.3900 COCCOCSc1ccccc1C(=O)O 62a_202125556159_100000231047 [0,0,1,0,0,0|3,0,0]=4 1344 B16R1.3900 N#CCCCCSc1ccccc1C(=O)O 62a_100011219923_100000734275 [0,0,1,0,0,0|2,0,1]=4 1345 B16R1.3900 N#CCCCCSc1ccccc1C(=O)O 62a_202125556159_100000211819 [0,0,1,0,0,0|2,0,1]=4 1346 B16R1.3900 NC(=O)c1ccccc1NCCCCCF 34a_100000185089_100000729378 [0,0,1,0,0,0|2,0,0]=3 1347 B16R1.3900 NC(=O)c1ccccc1NCCCCCO 34a_100000185089_100000746330 [0,0,1,0,0,0|2,0,0]=3 1348 B16R1.3900 NC(=O)c1ccccc1NCCOCCO 34a_100000185089_100000692535 [0,0,1,0,0,0|3,0,0]=4 1349 B16R1.3900 NC(=O)c1ccccc1OCCCCCF 34a_100000192804_100000729378 [0,0,1,0,0,0|3,0,0]=4 1350 B16R1.3900 NC(=O)c1ccccc1OCCCCCF 7a_100000192804_100000729378 [0,0,1,0,0,0|3,0,0]=4 1351 B16R1.3900 NC(=O)c1ccccc1OCCCCCO 34a_100000192804_100000746330 [0,0,1,0,0,0|3,0,0]=4 1352 B16R1.3900 NC(=O)c1ccccc1OCCCCCO 7a_100000192804_100000746330 [0,0,1,0,0,0|3,0,0]=4 1353 B16R1.3900 NC(=O)c1ccccc1SCCCCCF 62a_100000162227_100000729378 [0,0,1,0,0,0|3,0,0]=4 1354 B16R1.3900 NC(=O)c1ccccc1SCCCCCF 62a_100000729378_100000162227 [0,0,1,0,0,0|3,0,0]=4 1355 B16R1.3900 NC(=O)c1ccccc1SCCCCCO 62a_100000162227_100000746330 [0,0,1,0,0,0|3,0,0]=4 1356 B16R1.3900 NC(=O)c1ccccc1SCCCCCO 62a_100000746330_100000162227 [0,0,1,0,0,0|3,0,0]=4 1357 B16R1.3900 NC(=O)c1cccnc1NCCCCCO 27a_100000762737_100000162199 [0,0,1,0,0,0|3,0,0]=4 1358 B16R1.3900 NC(=O)c1cnccc1NCCCCCO 27a_100000762737_100000697804 [0,0,1,0,0,0|3,0,0]=4 1359 B16R1.3900 NC(=O)c1ncccc1NCCCCCO 27a_100000762737_200012359670 [0,0,1,0,0,0|3,0,0]=4 1360 B16R1.3900 O=C(O)c1ccccc1CNCCCCF 269956a_100015183376_100000729493 [0,0,1,0,0,0|3,0,0]=4 1361 B16R1.3900 O=C(O)c1ccccc1CNCCCCO 269956a_100015183376_100000210776 [0,0,1,0,0,0|3,0,0]=4 1362 B16R1.3900 O=C(O)c1ccccc1SCCCCCF 62a_100000729378_100000734275 [0,0,1,0,0,0|2,0,0]=3 1363 B16R1.3900 O=C(O)c1ccccc1SCCCCCF 62a_202125556159_100000729378 [0,0,1,0,0,0|2,0,0]=3 1364 B16R1.3900 O=C(O)c1ccccc1SCCCCCO 62a_100000746330_100000734275 [0,0,1,0,0,0|2,0,0]=3 1365 B16R1.3900 O=C(O)c1ccccc1SCCCCCO 62a_202125556159_100000746330 [0,0,1,0,0,0|2,0,0]=3 1366 B16R1.3900 O=C(O)c1ccccc1SCCOCCO 62a_100011215305_100000734275 [0,0,1,0,0,0|3,0,0]=4 1367 B16R1.3900 O=C(O)c1ccccc1SCCOCCO 62a_202125556159_100011215305 [0,0,1,0,0,0|3,0,0]=4 1368 B16R1.3900 O=C([O-])c1ccccc1OCCCCCF 7a_100015234032_100000729378 [0,0,1,0,0,0|2,0,1]=4 1369 B16R1.3900 O=C([O-])c1ccccc1OCCCCCO 7a_100015234032_100000746330 [0,0,1,0,0,0|2,0,1]=4 1370 B16R1.3900 O=CCCCCSc1ccccc1C(=O)O 62a_100000139335_100000734275 [0,0,1,0,0,0|2,0,1]=4 1371 B16R1.3900 O=CCCCCSc1ccccc1C(=O)O 62a_202125556159_100000139335 [0,0,1,0,0,0|2,0,1]=4 1372 B16R1.4493 C=C(C)c1ccccc1NC(C)CCCC 34a_100000037685_200011215066 [0,0,1,0,0,0|2,0,0]=3 1373 B16R1.4493 CCCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210183 [0,0,1,0,0,0|2,0,1]=4 1374 B16R1.4493 CCCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210183 [0,0,1,0,0,0|2,0,1]=4 1375 B16R1.4493 CCCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210183 [0,0,1,0,0,0|2,0,1]=4 1376 B16R1.4493 CCCCC(C)Nc1ccccc1C(=O)N 34a_100000185089_200011215066 [0,0,1,0,0,0|1,0,0]=2 1377 B16R1.4493 CCCCC(C)Nc1ccccc1C(C)C 2230a_100000210643_200011215066 [0,0,1,0,0,0|2,0,1]=4 1378 B16R1.4493 CCCCC(C)Nc1ccccc1C(C)C 34a_100000210643_200011215066 [0,0,1,0,0,0|2,0,1]=4 1379 B16R1.4493 CCCCC(C)Nc1ccccc1C(C)C 7a_100000210643_200011215066 [0,0,1,0,0,0|2,0,1]=4 1380 B16R1.4493 CCCCC(C)Nc1ccccc1C(C)O 2230a_100011405641_200011215066 [0,0,1,0,0,0|1,0,1]=3 1381 B16R1.4493 CCCCC(C)Nc1ccccc1C(F)F 2230a_100000734540_200011215066 [0,0,1,0,0,0|2,0,1]=4 1382 B16R1.4493 CCCCC(C)Nc1ccccc1C(F)F 34a_100000734540_200011215066 [0,0,1,0,0,0|2,0,1]=4 1383 B16R1.4493 CCCCC(C)Nc1ccccc1C(F)F 7a_100000734540_200011215066 [0,0,1,0,0,0|2,0,1]=4 1384 B16R1.4493 CCCCC(C)Nc1cccnc1C(=O)N 27a_100000126638_200012359670 [0,0,1,0,0,0|2,0,0]=3 1385 B16R1.4493 CCCCC(C)Nc1ccncc1C(=O)C 27a_100000126638_100160469449 [0,0,1,0,0,0|2,0,0]=3 1386 B16R1.4493 CCCCC(C)Nc1ccncc1C(=O)N 27a_100000126638_100000697804 [0,0,1,0,0,0|2,0,0]=3 1387 B16R1.4493 CCCCC(C)Nc1ncccc1C(=O)C 27a_100000126638_100009816689 [0,0,1,0,0,0|2,0,0]=3 1388 B16R1.4493 CCCCC(C)Nc1ncccc1C(=O)N 27a_100000126638_100000162199 [0,0,1,0,0,0|2,0,0]=3 1389 B16R1.4493 CCCCC(C)Nc1nccnc1C(=O)C 27a_100000126638_100000099859 [0,0,1,0,0,0|3,0,0]=4 1390 B16R1.4493 CCCCC(C)Nc1nccnc1C(=O)N 27a_100000126638_100000094861 [0,0,1,0,0,0|3,0,0]=4 1391 B16R1.4493 CCCCC(C)Oc1ccccc1C(=O)N 34a_100000192804_200011215066 [0,0,1,0,0,0|2,0,0]=3 1392 B16R1.4493 CCCCC(C)Oc1ccccc1C(=O)N 7a_100000192804_200011215066 [0,0,1,0,0,0|2,0,0]=3 1393 B16R1.4493 CCCCC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_200011215066 [0,0,1,0,0,0|1,0,1]=3 1394 B16R1.4493 CCCCC(C)Oc1ccccc1C(=S)N 7a_100000745089_200011215066 [0,0,1,0,0,0|2,1,0]=4 1395 B16R1.4493 CCCCC(C)Oc1ccccc1C(C)O 34a_200011232679_200011215066 [0,0,1,0,0,0|2,0,1]=4 1396 B16R1.4493 CCCCC(C)Oc1ccccc1C(C)O 7a_200011232679_200011215066 [0,0,1,0,0,0|2,0,1]=4 1397 B16R1.4493 CCCCC(C)Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200011215066 [0,0,1,0,0,0|2,0,1]=4 1398 B16R1.4493 CCCCC(C)Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200011215066 [0,0,1,0,0,0|2,0,1]=4 1399 B16R1.4493 CCCCC(C)Oc1cccnc1C(=O)C 34a_100000087166_200011215066 [0,0,1,0,0,0|3,0,0]=4 1400 B16R1.4493 CCCCC(C)Oc1cccnc1C(=O)C 7a_100000087166_200011215066 [0,0,1,0,0,0|3,0,0]=4 1401 B16R1.4493 CCCCC(C)Oc1cccnc1C(=O)N 34a_200011215183_200011215066 [0,0,1,0,0,0|3,0,0]=4 1402 B16R1.4493 CCCCC(C)Oc1cccnc1C(=O)N 7a_200011215183_200011215066 [0,0,1,0,0,0|3,0,0]=4 1403 B16R1.4493 CCCCC(C)Oc1ccncc1C(=O)N 34a_200011998761_200011215066 [0,0,1,0,0,0|3,0,0]=4 1404 B16R1.4493 CCCCC(C)Oc1cnccc1C(=O)C 7a_100009872882_200011215066 [0,0,1,0,0,0|3,0,0]=4 1405 B16R1.4493 CCCCC(C)Oc1cnccc1C(=O)N 7a_100012022987_200011215066 [0,0,1,0,0,0|3,0,0]=4 1406 B16R1.4493 CCCCC(C)Sc1ccccc1B(O)O 62a_100000693059_200011215066 [0,0,1,0,0,0|2,0,1]=4 1407 B16R1.4493 CCCCC(C)Sc1ccccc1B(O)O 62a_200011215066_100000693059 [0,0,1,0,0,0|2,0,1]=4 1408 B16R1.4493 CCCCC(C)Sc1ccccc1C(=O)C 62a_100000751169_200011215066 [0,0,1,0,0,0|2,0,0]=3 1409 B16R1.4493 CCCCC(C)Sc1ccccc1C(=O)N 62a_100000162227_200011215066 [0,0,1,0,0,0|2,0,0]=3 1410 B16R1.4493 CCCCC(C)Sc1ccccc1C(=O)N 62a_200011215066_100000162227 [0,0,1,0,0,0|2,0,0]=3 1411 B16R1.4493 CCCCC(C)Sc1ccccc1C(=O)O 62a_200011215066_100000734275 [0,0,1,0,0,0|1,0,0]=2 1412 B16R1.4493 CCCCC(C)Sc1ccccc1C(=O)O 62a_202125556159_200011215066 [0,0,1,0,0,0|1,0,0]=2 1413 B16R1.4493 CCCCC(C)Sc1ccccc1C(C)O 62a_100000702211_200011215066 [0,0,1,0,0,0|2,0,1]=4 1414 B16R1.4493 CCCCC(C)Sc1ccccc1C(C)O 62a_200011215066_100000702211 [0,0,1,0,0,0|2,0,1]=4 1415 B16R1.4493 CCCCC(C)Sc1ccccc1S(=O)C 62a_100000734199_200011215066 [0,0,1,0,0,0|3,0,0]=4 1416 B16R1.4493 CCCCC(C)Sc1cccnc1C(=O)C 62a_100012348690_200011215066 [0,0,1,0,0,0|3,0,0]=4 1417 B16R1.4493 CCCCC(C)Sc1cccnc1C(=O)C 62a_200011215066_100012348690 [0,0,1,0,0,0|3,0,0]=4 1418 B16R1.4493 CCCCC(C)Sc1cccnc1C(=O)N 62a_200011215066_200012359670 [0,0,1,0,0,0|3,0,0]=4 1419 B16R1.4493 CCCCC(C)Sc1cccnc1C(=O)N 62a_200012359670_200011215066 [0,0,1,0,0,0|3,0,0]=4 1420 B16R1.4493 CCCCC(C)Sc1ccncc1C(=O)C 62a_100160469449_200011215066 [0,0,1,0,0,0|3,0,0]=4 1421 B16R1.4493 CCCCC(C)Sc1ccncc1C(=O)C 62a_200011215066_100160469449 [0,0,1,0,0,0|3,0,0]=4 1422 B16R1.4493 CCCCC(C)Sc1ccncc1C(=O)N 62a_100000697804_200011215066 [0,0,1,0,0,0|3,0,0]=4 1423 B16R1.4493 CCCCC(C)Sc1ccncc1C(=O)N 62a_200011215066_100000697804 [0,0,1,0,0,0|3,0,0]=4 1424 B16R1.4493 CCCCC(C)Sc1cnccc1C(=O)C 62a_100009993184_200011215066 [0,0,1,0,0,0|3,0,0]=4 1425 B16R1.4493 CCCCC(C)Sc1cnccc1C(=O)C 62a_200011215066_100009993184 [0,0,1,0,0,0|3,0,0]=4 1426 B16R1.4493 CCCCC(C)Sc1cnccc1C(=O)N 62a_100010205435_200011215066 [0,0,1,0,0,0|3,0,0]=4 1427 B16R1.4493 CCCCC(C)Sc1cnccc1C(=O)N 62a_200011215066_100010205435 [0,0,1,0,0,0|3,0,0]=4 1428 B16R1.4493 CCCCC(C)Sc1ncccc1C(=O)C 62a_100000753718_200011215066 [0,0,1,0,0,0|3,0,0]=4 1429 B16R1.4493 CCCCC(C)Sc1ncccc1C(=O)C 62a_200011215066_100000753718 [0,0,1,0,0,0|3,0,0]=4 1430 B16R1.4493 CCCCC(C)Sc1ncccc1C(=O)N 62a_100000162199_200011215066 [0,0,1,0,0,0|3,0,0]=4 1431 B16R1.4493 CCCCC(C)Sc1ncccc1C(=O)N 62a_200011215066_100000162199 [0,0,1,0,0,0|3,0,0]=4 1432 B16R1.5362 CCC(COC)Nc1cccnc1C(=O)N 27a_100000757820_200012359670 [0,0,1,0,0,0|3,0,0]=4 1433 B16R1.5362 CCC(COC)Nc1ccncc1C(=O)C 27a_100000757820_100160469449 [0,0,1,0,0,0|3,0,0]=4 1434 B16R1.5362 CCC(COC)Nc1ccncc1C(=O)N 27a_100000757820_100000697804 [0,0,1,0,0,0|3,0,0]=4 1435 B16R1.5362 CCC(COC)Nc1ncccc1C(=O)C 27a_100000757820_100009816689 [0,0,1,0,0,0|3,0,0]=4 1436 B16R1.5362 CCC(COC)Nc1ncccc1C(=O)N 27a_100000757820_100000162199 [0,0,1,0,0,0|3,0,0]=4 1437 B16R1.5362 CCCC(CC)Nc1ccccc1C(C)C 7a_100000210643_100011219200 [0,0,1,0,0,0|2,0,1]=4 1438 B16R1.5362 CCCC(CC)Nc1ccccc1C(F)F 7a_100000734540_100011219200 [0,0,1,0,0,0|2,0,1]=4 1439 B16R1.5362 CCCC(CC)Nc1cccnc1C(=O)N 27a_100000747048_200012359670 [0,0,1,0,0,0|2,0,0]=3 1440 B16R1.5362 CCCC(CC)Nc1ccncc1C(=O)C 27a_100000747048_100160469449 [0,0,1,0,0,0|2,0,0]=3 1441 B16R1.5362 CCCC(CC)Nc1ccncc1C(=O)N 27a_100000747048_100000697804 [0,0,1,0,0,0|2,0,0]=3 1442 B16R1.5362 CCCC(CC)Nc1ncccc1C(=O)C 27a_100000747048_100009816689 [0,0,1,0,0,0|2,0,0]=3 1443 B16R1.5362 CCCC(CC)Nc1ncccc1C(=O)N 27a_100000747048_100000162199 [0,0,1,0,0,0|2,0,0]=3 1444 B16R1.5362 CCCC(CC)Nc1nccnc1C(=O)C 27a_100000747048_100000099859 [0,0,1,0,0,0|3,0,0]=4 1445 B16R1.5362 CCCC(CC)Nc1nccnc1C(=O)N 27a_100000747048_100000094861 [0,0,1,0,0,0|3,0,0]=4 1446 B16R1.5362 CCCC(CC)Oc1ccccc1C(=O)N 7a_100000192804_100011219200 [0,0,1,0,0,0|2,0,0]=3 1447 B16R1.5362 CCCC(CC)Oc1ccccc1C(=O)[O-] 7a_100015234032_100011219200 [0,0,1,0,0,0|1,0,1]=3 1448 B16R1.5362 CCCC(CC)Oc1ccccc1C(=S)N 7a_100000745089_100011219200 [0,0,1,0,0,0|2,1,0]=4 1449 B16R1.5362 CCCC(CC)Oc1ccccc1C(C)O 7a_200011232679_100011219200 [0,0,1,0,0,0|2,0,1]=4 1450 B16R1.5362 CCCC(CC)Oc1ccccc1[N+](=O)[O-] 7a_100000186319_100011219200 [0,0,1,0,0,0|2,0,1]=4 1451 B16R1.5362 CCCC(CC)Oc1cccnc1C(=O)C 7a_100000087166_100011219200 [0,0,1,0,0,0|3,0,0]=4 1452 B16R1.5362 CCCC(CC)Oc1cccnc1C(=O)N 7a_200011215183_100011219200 [0,0,1,0,0,0|3,0,0]=4 1453 B16R1.5362 CCCC(CC)Oc1cnccc1C(=O)C 7a_100009872882_100011219200 [0,0,1,0,0,0|3,0,0]=4 1454 B16R1.5362 CCCC(CC)Oc1cnccc1C(=O)N 7a_100012022987_100011219200 [0,0,1,0,0,0|3,0,0]=4 1455 B16R1.5362 CCCC(CC)Sc1ccccc1B(O)O 62a_100000693059_100011219200 [0,0,1,0,0,0|2,0,1]=4 1456 B16R1.5362 CCCC(CC)Sc1ccccc1B(O)O 62a_100011219200_100000693059 [0,0,1,0,0,0|2,0,1]=4 1457 B16R1.5362 CCCC(CC)Sc1ccccc1C(=O)C 62a_100000751169_100011219200 [0,0,1,0,0,0|2,0,0]=3 1458 B16R1.5362 CCCC(CC)Sc1ccccc1C(=O)N 62a_100000162227_100011219200 [0,0,1,0,0,0|2,0,0]=3 1459 B16R1.5362 CCCC(CC)Sc1ccccc1C(=O)N 62a_100011219200_100000162227 [0,0,1,0,0,0|2,0,0]=3 1460 B16R1.5362 CCCC(CC)Sc1ccccc1C(=O)O 62a_100011219200_100000734275 [0,0,1,0,0,0|1,0,0]=2 1461 B16R1.5362 CCCC(CC)Sc1ccccc1C(=O)O 62a_202125556159_100011219200 [0,0,1,0,0,0|1,0,0]=2 1462 B16R1.5362 CCCC(CC)Sc1ccccc1C(C)O 62a_100000702211_100011219200 [0,0,1,0,0,0|2,0,1]=4 1463 B16R1.5362 CCCC(CC)Sc1ccccc1C(C)O 62a_100011219200_100000702211 [0,0,1,0,0,0|2,0,1]=4 1464 B16R1.5362 CCCC(CC)Sc1ccccc1S(=O)C 62a_100000734199_100011219200 [0,0,1,0,0,0|3,0,0]=4 1465 B16R1.5362 CCCC(CC)Sc1cccnc1C(=O)C 62a_100011219200_100012348690 [0,0,1,0,0,0|3,0,0]=4 1466 B16R1.5362 CCCC(CC)Sc1cccnc1C(=O)C 62a_100012348690_100011219200 [0,0,1,0,0,0|3,0,0]=4 1467 B16R1.5362 CCCC(CC)Sc1cccnc1C(=O)N 62a_100011219200_200012359670 [0,0,1,0,0,0|3,0,0]=4 1468 B16R1.5362 CCCC(CC)Sc1cccnc1C(=O)N 62a_200012359670_100011219200 [0,0,1,0,0,0|3,0,0]=4 1469 B16R1.5362 CCCC(CC)Sc1ccncc1C(=O)C 62a_100011219200_100160469449 [0,0,1,0,0,0|3,0,0]=4 1470 B16R1.5362 CCCC(CC)Sc1ccncc1C(=O)C 62a_100160469449_100011219200 [0,0,1,0,0,0|3,0,0]=4 1471 B16R1.5362 CCCC(CC)Sc1ccncc1C(=O)N 62a_100000697804_100011219200 [0,0,1,0,0,0|3,0,0]=4 1472 B16R1.5362 CCCC(CC)Sc1ccncc1C(=O)N 62a_100011219200_100000697804 [0,0,1,0,0,0|3,0,0]=4 1473 B16R1.5362 CCCC(CC)Sc1cnccc1C(=O)C 62a_100009993184_100011219200 [0,0,1,0,0,0|3,0,0]=4 1474 B16R1.5362 CCCC(CC)Sc1cnccc1C(=O)C 62a_100011219200_100009993184 [0,0,1,0,0,0|3,0,0]=4 1475 B16R1.5362 CCCC(CC)Sc1cnccc1C(=O)N 62a_100010205435_100011219200 [0,0,1,0,0,0|3,0,0]=4 1476 B16R1.5362 CCCC(CC)Sc1cnccc1C(=O)N 62a_100011219200_100010205435 [0,0,1,0,0,0|3,0,0]=4 1477 B16R1.5362 CCCC(CC)Sc1ncccc1C(=O)C 62a_100000753718_100011219200 [0,0,1,0,0,0|3,0,0]=4 1478 B16R1.5362 CCCC(CC)Sc1ncccc1C(=O)C 62a_100011219200_100000753718 [0,0,1,0,0,0|3,0,0]=4 1479 B16R1.5362 CCCC(CC)Sc1ncccc1C(=O)N 62a_100000162199_100011219200 [0,0,1,0,0,0|3,0,0]=4 1480 B16R1.5362 CCCC(CC)Sc1ncccc1C(=O)N 62a_100011219200_100000162199 [0,0,1,0,0,0|3,0,0]=4 1481 B16R1.5362 CCC[C@@H](CO)Nc1cccnc1C(=O)N 27a_100000732646_200012359670 [0,0,1,0,0,0|3,0,0]=4 1482 B16R1.5362 CCC[C@@H](CO)Nc1ccncc1C(=O)C 27a_100000732646_100160469449 [0,0,1,0,0,0|3,0,0]=4 1483 B16R1.5362 CCC[C@@H](CO)Nc1ccncc1C(=O)N 27a_100000732646_100000697804 [0,0,1,0,0,0|3,0,0]=4 1484 B16R1.5362 CCC[C@@H](CO)Nc1ncccc1C(=O)C 27a_100000732646_100009816689 [0,0,1,0,0,0|3,0,0]=4 1485 B16R1.5362 CCC[C@@H](CO)Nc1ncccc1C(=O)N 27a_100000732646_100000162199 [0,0,1,0,0,0|3,0,0]=4 1486 B18R3.2125 c1ccc(c(c1)NC2CCCCC2)C3CC3 34a_100011236190_100000210327 [0,0,0,1,0,0|2,0,1]=4 1487 B18R3.7481 CC(=O)c1cccnc1NC2C3C2COC3 27a_100000702821_100009816689 [0,0,0,1,0,0|3,0,0]=4 1488 B18R3.7481 CC(=O)c1cnccc1NC2C3C2COC3 27a_100000702821_100160469449 [0,0,0,1,0,0|3,0,0]=4 1489 B18R3.7481 NC(=O)c1cccnc1NC2C3C2COC3 27a_100000702821_100000162199 [0,0,0,1,0,0|3,0,0]=4 1490 B18R3.7481 NC(=O)c1cnccc1NC2C3C2COC3 27a_100000702821_100000697804 [0,0,0,1,0,0|3,0,0]=4 1491 B18R3.7481 NC(=O)c1ncccc1NC2C3C2COC3 27a_100000702821_200012359670 [0,0,0,1,0,0|3,0,0]=4 1492 B18R3.11551 O=C1OC(c2c1cccc2)N3CCCOC3 2230a_100000131196_100009813457 [0,0,0,1,0,0|3,0,0]=4 1493 B18R3.11551 O=C1OC(c2c1cccc2)N3CCCOC3 269982a_100000131196_100009813457 [0,0,0,1,0,0|3,0,0]=4 1494 B18R3.11551 O=C1OC(c2c1cccc2)N3CCOCC3 2230a_100015191051_100009813457 [0,0,0,1,0,0|3,0,0]=4 1495 B18R3.11551 O=C1OC(c2c1cccc2)N3CCOCC3 269982a_100015191051_100009813457 [0,0,0,1,0,0|3,0,0]=4 1496 B18R3.11551 O=C1OC(c2c1cccc2)N3CCSCC3 2230a_100000737611_100009813457 [0,0,0,1,0,0|3,0,0]=4 1497 B18R3.11551 O=C1OC(c2c1cccc2)N3CCSCC3 269982a_100000737611_100009813457 [0,0,0,1,0,0|3,0,0]=4 1498 B18R3.117422 C=C(C)c1cccc2c1NC3C2CNCC3 271570a_100000694244_200015416792 [0,0,0,1,0,0|3,0,0]=4 1499 B18R3.117422 CC(=O)c1cccc2c1[nH]c3c2CCCC3 1458a_100000030982_200000210301 [0,0,0,1,0,0|1,0,2]=4 1500 B18R3.117422 [13CH3]C(=O)c1cccc2c1[nH]c3c2CCCC3 1458a_100000030982_200025704644 [0,0,0,1,0,0|1,0,2]=4 1501 B18R3.118021 CC(=O)c1cccnc1N2C3CCC2CC3 27a_100000735658_100009816689 [0,0,0,1,0,0|2,0,0]=3 1502 B18R3.118021 CC(=O)c1cnccc1N2C3CCC2CC3 27a_100000735658_100160469449 [0,0,0,1,0,0|2,0,0]=3 1503 B18R3.118021 CC(=O)c1nccnc1N2C3CCC2CC3 27a_100000735658_100000099859 [0,0,0,1,0,0|3,0,0]=4 1504 B18R3.118021 NC(=O)c1cccnc1N2C3CCC2CC3 27a_100000735658_100000162199 [0,0,0,1,0,0|2,0,0]=3 1505 B18R3.118021 NC(=O)c1cnccc1N2C3CCC2CC3 27a_100000735658_100000697804 [0,0,0,1,0,0|2,0,0]=3 1506 B18R3.118021 NC(=O)c1ncccc1N2C3CCC2CC3 27a_100000735658_200012359670 [0,0,0,1,0,0|2,0,0]=3 1507 B18R3.118021 NC(=O)c1nccnc1N2C3CCC2CC3 27a_100000735658_100000094861 [0,0,0,1,0,0|3,0,0]=4 1508 B16R2.87 C=C(C)c1ccccc1C2CCCCC2 271570a_100000694244_200009813743 [0,0,0,0,1,0|2,0,0]=3 1509 B16R2.87 C=C(C)c1ccccc1C2CCCCN2 271570a_100000694244_100010004825 [0,0,0,0,1,0|3,0,0]=4 1510 B16R2.87 C=C(C)c1ccccc1N2CCCCC2 271570a_100000694244_100159312943 [0,0,0,0,1,0|3,0,0]=4 1511 B16R2.87 CC(=O)c1ccccc1C2=CCCCC2 271570a_100000062251_100000751169 [0,0,0,0,1,0|1,0,2]=4 1512 B16R2.87 CC(=O)c1ccccc1C2CCCCC2 1458a_100000034410_200000210301 [0,0,0,0,1,0|1,0,0]=2 1513 B16R2.87 CC(=O)c1ccccc1N2CCCCC2 1458a_100000729691_200000210301 [0,0,0,0,1,0|2,0,0]=3 1514 B16R2.87 CC(=O)c1ccccc1N2CCOCC2 1458a_100000747622_200000210301 [0,0,0,0,1,0|3,0,0]=4 1515 B16R2.87 NC(=O)c1ccccc1C2=CCCCC2 271570a_100000062251_100000162227 [0,0,0,0,1,0|1,0,2]=4 1516 B16R2.87 [13CH3]C(=O)c1ccccc1C2CCCCC2 1458a_100000034410_200025704644 [0,0,0,0,1,0|1,0,0]=2 1517 B16R2.87 [13CH3]C(=O)c1ccccc1N2CCCCC2 1458a_100000729691_200025704644 [0,0,0,0,1,0|2,0,0]=3 1518 B16R2.87 [13CH3]C(=O)c1ccccc1N2CCOCC2 1458a_100000747622_200025704644 [0,0,0,0,1,0|3,0,0]=4 1519 B16R2.464 CC(=O)c1sccc1SC2CCCCC2 62a_100000738688_100000210327 [0,0,0,0,1,0|3,0,0]=4 1520 B16R2.464 NC(=O)c1cscc1SC2CCCCC2 62a_100000210327_100009817205 [0,0,0,0,1,0|3,0,0]=4 1521 B16R2.464 NC(=O)c1cscc1SC2CCCCC2 62a_100009817205_100000210327 [0,0,0,0,1,0|3,0,0]=4 1522 B16R2.498 C=C(C)c1ccccc1NC2CCCC2 34a_100000037685_100000179811 [0,0,0,0,1,0|2,0,0]=3 1523 B16R2.498 C=C(C)c1ccccc1NC2CCOC2 34a_100000037685_100000690089 [0,0,0,0,1,0|3,0,0]=4 1524 B16R2.498 C=C(C)c1ccccc1OC2CCCC2 271570a_100000694244_100011214840 [0,0,0,0,1,0|3,0,0]=4 1525 B16R2.498 CC(=O)c1ccccc1C=C2CCCC2 271570a_100010378317_100000751169 [0,0,0,0,1,0|2,0,1]=4 1526 B16R2.498 CC(=O)c1ccccc1OC2CCCC2 1458a_100000754426_200000210301 [0,0,0,0,1,0|2,0,0]=3 1527 B16R2.498 CC(=O)c1ccccc1SC2CCCC2 62a_100000751169_100000179811 [0,0,0,0,1,0|2,0,0]=3 1528 B16R2.498 CC(=O)c1ccccc1SC2CCOC2 62a_100000751169_100000690089 [0,0,0,0,1,0|3,0,0]=4 1529 B16R2.498 CC(=O)c1cccnc1NC2CCCC2 27a_100000211070_100009816689 [0,0,0,0,1,0|2,0,0]=3 1530 B16R2.498 CC(=O)c1cccnc1N[C@@H]2CCOC2 27a_200015188469_100009816689 [0,0,0,0,1,0|3,0,0]=4 1531 B16R2.498 CC(=O)c1cccnc1N[C@H]2CCOC2 27a_100015188467_100009816689 [0,0,0,0,1,0|3,0,0]=4 1532 B16R2.498 CC(=O)c1cccnc1SC2CCCC2 62a_100000753718_100000179811 [0,0,0,0,1,0|3,0,0]=4 1533 B16R2.498 CC(=O)c1cccnc1SC2CCCC2 62a_100011217020_100000753718 [0,0,0,0,1,0|3,0,0]=4 1534 B16R2.498 CC(=O)c1ccncc1OC2CCCC2 7a_100009872882_100000179811 [0,0,0,0,1,0|3,0,0]=4 1535 B16R2.498 CC(=O)c1ccncc1SC2CCCC2 62a_100009993184_100000179811 [0,0,0,0,1,0|3,0,0]=4 1536 B16R2.498 CC(=O)c1ccncc1SC2CCCC2 62a_100011217020_100009993184 [0,0,0,0,1,0|3,0,0]=4 1537 B16R2.498 CC(=O)c1cnccc1NC2CCCC2 27a_100000211070_100160469449 [0,0,0,0,1,0|2,0,0]=3 1538 B16R2.498 CC(=O)c1cnccc1N[C@@H]2CCOC2 27a_200015188469_100160469449 [0,0,0,0,1,0|3,0,0]=4 1539 B16R2.498 CC(=O)c1cnccc1N[C@H]2CCOC2 27a_100015188467_100160469449 [0,0,0,0,1,0|3,0,0]=4 1540 B16R2.498 CC(=O)c1cnccc1SC2CCCC2 62a_100011217020_100160469449 [0,0,0,0,1,0|3,0,0]=4 1541 B16R2.498 CC(=O)c1cnccc1SC2CCCC2 62a_100160469449_100000179811 [0,0,0,0,1,0|3,0,0]=4 1542 B16R2.498 CC(=O)c1ncccc1OC2CCCC2 34a_100000087166_100000179811 [0,0,0,0,1,0|3,0,0]=4 1543 B16R2.498 CC(=O)c1ncccc1OC2CCCC2 7a_100000087166_100000179811 [0,0,0,0,1,0|3,0,0]=4 1544 B16R2.498 CC(=O)c1ncccc1SC2CCCC2 62a_100011217020_100012348690 [0,0,0,0,1,0|3,0,0]=4 1545 B16R2.498 CC(=O)c1ncccc1SC2CCCC2 62a_100012348690_100000179811 [0,0,0,0,1,0|3,0,0]=4 1546 B16R2.498 CC(=O)c1nccnc1NC2CCCC2 27a_100000211070_100000099859 [0,0,0,0,1,0|3,0,0]=4 1547 B16R2.498 CC(C)c1ccccc1NC2CCCC2 2230a_100000210643_100000179811 [0,0,0,0,1,0|2,0,1]=4 1548 B16R2.498 CC(C)c1ccccc1NC2CCCC2 34a_100000210643_100000179811 [0,0,0,0,1,0|2,0,1]=4 1549 B16R2.498 CC(C)c1ccccc1NC2CCCC2 7a_100000210643_100000179811 [0,0,0,0,1,0|2,0,1]=4 1550 B16R2.498 CC(O)c1ccccc1NC2CCCC2 2230a_100011405641_100000179811 [0,0,0,0,1,0|1,0,1]=3 1551 B16R2.498 CC(O)c1ccccc1NC2CCOC2 2230a_100011405641_100000731011 [0,0,0,0,1,0|2,0,1]=4 1552 B16R2.498 CC(O)c1ccccc1OC2CCCC2 34a_200011232679_100000179811 [0,0,0,0,1,0|2,0,1]=4 1553 B16R2.498 CC(O)c1ccccc1OC2CCCC2 7a_200011232679_100000179811 [0,0,0,0,1,0|2,0,1]=4 1554 B16R2.498 CC(O)c1ccccc1SC2CCCC2 62a_100000702211_100000179811 [0,0,0,0,1,0|2,0,1]=4 1555 B16R2.498 CC(O)c1ccccc1SC2CCCC2 62a_100011217020_100000702211 [0,0,0,0,1,0|2,0,1]=4 1556 B16R2.498 CS(=O)c1ccccc1SC2CCCC2 62a_100000734199_100000179811 [0,0,0,0,1,0|3,0,0]=4 1557 B16R2.498 FC(F)c1ccccc1NC2CCCC2 2230a_100000734540_100000179811 [0,0,0,0,1,0|2,0,1]=4 1558 B16R2.498 FC(F)c1ccccc1NC2CCCC2 34a_100000734540_100000179811 [0,0,0,0,1,0|2,0,1]=4 1559 B16R2.498 FC(F)c1ccccc1NC2CCCC2 7a_100000734540_100000179811 [0,0,0,0,1,0|2,0,1]=4 1560 B16R2.498 NC(=O)c1ccccc1C=C2CCCC2 271570a_100010378317_100000162227 [0,0,0,0,1,0|2,0,1]=4 1561 B16R2.498 NC(=O)c1ccccc1NC2CCCC2 34a_100000185089_100000179811 [0,0,0,0,1,0|1,0,0]=2 1562 B16R2.498 NC(=O)c1ccccc1NC2CCOC2 34a_100000185089_100000690089 [0,0,0,0,1,0|2,0,0]=3 1563 B16R2.498 NC(=O)c1ccccc1OC2CCCC2 34a_100000192804_100000179811 [0,0,0,0,1,0|2,0,0]=3 1564 B16R2.498 NC(=O)c1ccccc1OC2CCCC2 7a_100000192804_100000179811 [0,0,0,0,1,0|2,0,0]=3 1565 B16R2.498 NC(=O)c1ccccc1OC2CCOC2 34a_100000192804_100000690089 [0,0,0,0,1,0|3,0,0]=4 1566 B16R2.498 NC(=O)c1ccccc1OC2CCOC2 7a_100000192804_100000731011 [0,0,0,0,1,0|3,0,0]=4 1567 B16R2.498 NC(=O)c1ccccc1SC2CCCC2 62a_100000162227_100000179811 [0,0,0,0,1,0|2,0,0]=3 1568 B16R2.498 NC(=O)c1ccccc1SC2CCCC2 62a_100011217020_100000162227 [0,0,0,0,1,0|2,0,0]=3 1569 B16R2.498 NC(=O)c1ccccc1SC2CCOC2 62a_100000162227_100000690089 [0,0,0,0,1,0|3,0,0]=4 1570 B16R2.498 NC(=O)c1cccnc1NC2CCCC2 27a_100000211070_100000162199 [0,0,0,0,1,0|2,0,0]=3 1571 B16R2.498 NC(=O)c1cccnc1N[C@@H]2CCOC2 27a_200015188469_100000162199 [0,0,0,0,1,0|3,0,0]=4 1572 B16R2.498 NC(=O)c1cccnc1N[C@H]2CCOC2 27a_100015188467_100000162199 [0,0,0,0,1,0|3,0,0]=4 1573 B16R2.498 NC(=O)c1cccnc1SC2CCCC2 62a_100000162199_100000179811 [0,0,0,0,1,0|3,0,0]=4 1574 B16R2.498 NC(=O)c1cccnc1SC2CCCC2 62a_100011217020_100000162199 [0,0,0,0,1,0|3,0,0]=4 1575 B16R2.498 NC(=O)c1ccncc1OC2CCCC2 7a_100012022987_100000179811 [0,0,0,0,1,0|3,0,0]=4 1576 B16R2.498 NC(=O)c1ccncc1SC2CCCC2 62a_100010205435_100000179811 [0,0,0,0,1,0|3,0,0]=4 1577 B16R2.498 NC(=O)c1ccncc1SC2CCCC2 62a_100011217020_100010205435 [0,0,0,0,1,0|3,0,0]=4 1578 B16R2.498 NC(=O)c1cnccc1NC2CCCC2 27a_100000211070_100000697804 [0,0,0,0,1,0|2,0,0]=3 1579 B16R2.498 NC(=O)c1cnccc1N[C@@H]2CCOC2 27a_200015188469_100000697804 [0,0,0,0,1,0|3,0,0]=4 1580 B16R2.498 NC(=O)c1cnccc1N[C@H]2CCOC2 27a_100015188467_100000697804 [0,0,0,0,1,0|3,0,0]=4 1581 B16R2.498 NC(=O)c1cnccc1OC2CCCC2 34a_200011998761_100000179811 [0,0,0,0,1,0|3,0,0]=4 1582 B16R2.498 NC(=O)c1cnccc1SC2CCCC2 62a_100000697804_100000179811 [0,0,0,0,1,0|3,0,0]=4 1583 B16R2.498 NC(=O)c1cnccc1SC2CCCC2 62a_100011217020_100000697804 [0,0,0,0,1,0|3,0,0]=4 1584 B16R2.498 NC(=O)c1ncccc1NC2CCCC2 27a_100000211070_200012359670 [0,0,0,0,1,0|2,0,0]=3 1585 B16R2.498 NC(=O)c1ncccc1N[C@@H]2CCOC2 27a_200015188469_200012359670 [0,0,0,0,1,0|3,0,0]=4 1586 B16R2.498 NC(=O)c1ncccc1N[C@H]2CCOC2 27a_100015188467_200012359670 [0,0,0,0,1,0|3,0,0]=4 1587 B16R2.498 NC(=O)c1ncccc1OC2CCCC2 34a_200011215183_100000179811 [0,0,0,0,1,0|3,0,0]=4 1588 B16R2.498 NC(=O)c1ncccc1OC2CCCC2 7a_200011215183_100000179811 [0,0,0,0,1,0|3,0,0]=4 1589 B16R2.498 NC(=O)c1ncccc1SC2CCCC2 62a_100011217020_200012359670 [0,0,0,0,1,0|3,0,0]=4 1590 B16R2.498 NC(=O)c1ncccc1SC2CCCC2 62a_200012359670_100000179811 [0,0,0,0,1,0|3,0,0]=4 1591 B16R2.498 NC(=O)c1nccnc1NC2CCCC2 27a_100000211070_100000094861 [0,0,0,0,1,0|3,0,0]=4 1592 B16R2.498 NC(=S)c1ccccc1OC2CCCC2 7a_100000745089_100000179811 [0,0,0,0,1,0|2,1,0]=4 1593 B16R2.498 O=C(O)c1ccccc1SC2CCCC2 62a_100011217020_100000734275 [0,0,0,0,1,0|1,0,0]=2 1594 B16R2.498 O=C(O)c1ccccc1SC2CCCC2 62a_202125556159_100000179811 [0,0,0,0,1,0|1,0,0]=2 1595 B16R2.498 O=C(O)c1ccccc1SC2CCOC2 62a_202125556159_100000690089 [0,0,0,0,1,0|2,0,0]=3 1596 B16R2.498 O=C([O-])c1ccccc1OC2CCCC2 7a_100015234032_100000179811 [0,0,0,0,1,0|1,0,1]=3 1597 B16R2.498 O=C([O-])c1ccccc1OC2CCOC2 7a_100015234032_100000731011 [0,0,0,0,1,0|2,0,1]=4 1598 B16R2.498 O=[N+]([O-])c1ccccc1OC2CCCC2 34a_100000186319_100000179811 [0,0,0,0,1,0|2,0,1]=4 1599 B16R2.498 O=[N+]([O-])c1ccccc1OC2CCCC2 7a_100000186319_100000179811 [0,0,0,0,1,0|2,0,1]=4 1600 B16R2.498 OB(O)c1ccccc1SC2CCCC2 62a_100000693059_100000179811 [0,0,0,0,1,0|2,0,1]=4 1601 B16R2.498 OB(O)c1ccccc1SC2CCCC2 62a_100011217020_100000693059 [0,0,0,0,1,0|2,0,1]=4 1602 B16R2.498 [13CH3]C(=O)c1ccccc1OC2CCCC2 1458a_100000754426_200025704644 [0,0,0,0,1,0|2,0,0]=3 1603 B18R2.7138 C=C(C)c1ccccc1CNC2CCCCC2 271570a_100000694244_200000195946 [0,0,0,0,0,1|2,0,0]=3 1604 B18R2.7138 C=C(C)c1ccccc1NCC2CCCCC2 34a_100000037685_100000211423 [0,0,0,0,0,1|2,0,0]=3 1605 B18R2.7138 C=C(C)c1ccccc1NCC2CCCCO2 34a_100000037685_100000211543 [0,0,0,0,0,1|3,0,0]=4 1606 B18R2.7138 C=C(C)c1ccccc1NCC2CCCOC2 34a_100000037685_100000741521 [0,0,0,0,0,1|3,0,0]=4 1607 B18R2.7138 C=C(C)c1ccccc1NCC2CCOCC2 34a_100000037685_100000754603 [0,0,0,0,0,1|3,0,0]=4 1608 B18R2.7138 CC(=O)c1ccccc1C=CC2CCCCC2 271570a_100016283615_100000751169 [0,0,0,0,0,1|2,0,0]=3 1609 B18R2.7138 CC(=O)c1ccccc1COC2CCOCC2 1458a_200000690114_200000210301 [0,0,0,0,0,1|3,0,0]=4 1610 B18R2.7138 CC(=O)c1ccccc1OCC2CCCCO2 1458a_200000274291_200000210301 [0,0,0,0,0,1|3,0,0]=4 1611 B18R2.7138 CC(=O)c1ccccc1SCC2CCCCC2 62a_100000751169_100000211423 [0,0,0,0,0,1|2,0,0]=3 1612 B18R2.7138 CC(=O)c1ccccc1SCC2CCCCO2 62a_100000751169_100000211543 [0,0,0,0,0,1|3,0,0]=4 1613 B18R2.7138 CC(=O)c1ccccc1SCC2CCCOC2 62a_100000751169_100000741521 [0,0,0,0,0,1|3,0,0]=4 1614 B18R2.7138 CC(=O)c1ccccc1SCC2CCOCC2 62a_100000751169_100000749018 [0,0,0,0,0,1|3,0,0]=4 1615 B18R2.7138 CC(=O)c1cccnc1C=CC2CCCCC2 271570a_100016283615_100000753718 [0,0,0,0,0,1|3,0,0]=4 1616 B18R2.7138 CC(=O)c1cccnc1NCC2CCCCC2 27a_100000210473_100009816689 [0,0,0,0,0,1|2,0,0]=3 1617 B18R2.7138 CC(=O)c1cccnc1NCC2CCCCO2 27a_100000174945_100009816689 [0,0,0,0,0,1|3,0,0]=4 1618 B18R2.7138 CC(=O)c1cccnc1NCC2CCCOC2 27a_100000720124_100009816689 [0,0,0,0,0,1|3,0,0]=4 1619 B18R2.7138 CC(=O)c1cccnc1NCC2CCOCC2 27a_100000746373_100009816689 [0,0,0,0,0,1|3,0,0]=4 1620 B18R2.7138 CC(=O)c1cccnc1NCC2CCSCC2 27a_100015188806_100009816689 [0,0,0,0,0,1|3,0,0]=4 1621 B18R2.7138 CC(=O)c1cccnc1SCC2CCCCC2 62a_100000211423_100000753718 [0,0,0,0,0,1|3,0,0]=4 1622 B18R2.7138 CC(=O)c1cccnc1SCC2CCCCC2 62a_100000753718_100000211423 [0,0,0,0,0,1|3,0,0]=4 1623 B18R2.7138 CC(=O)c1ccncc1C=CC2CCCCC2 271570a_100016283615_100009993184 [0,0,0,0,0,1|3,0,0]=4 1624 B18R2.7138 CC(=O)c1ccncc1OCC2CCCCC2 7a_100009872882_100000211423 [0,0,0,0,0,1|3,0,0]=4 1625 B18R2.7138 CC(=O)c1ccncc1SCC2CCCCC2 62a_100000211423_100009993184 [0,0,0,0,0,1|3,0,0]=4 1626 B18R2.7138 CC(=O)c1ccncc1SCC2CCCCC2 62a_100009993184_100000211423 [0,0,0,0,0,1|3,0,0]=4 1627 B18R2.7138 CC(=O)c1cnccc1C=CC2CCCCC2 271570a_100016283615_100160469449 [0,0,0,0,0,1|3,0,0]=4 1628 B18R2.7138 CC(=O)c1cnccc1NCC2CCCCC2 27a_100000210473_100160469449 [0,0,0,0,0,1|2,0,0]=3 1629 B18R2.7138 CC(=O)c1cnccc1NCC2CCCCO2 27a_100000174945_100160469449 [0,0,0,0,0,1|3,0,0]=4 1630 B18R2.7138 CC(=O)c1cnccc1NCC2CCCOC2 27a_100000720124_100160469449 [0,0,0,0,0,1|3,0,0]=4 1631 B18R2.7138 CC(=O)c1cnccc1NCC2CCOCC2 27a_100000746373_100160469449 [0,0,0,0,0,1|3,0,0]=4 1632 B18R2.7138 CC(=O)c1cnccc1NCC2CCSCC2 27a_100015188806_100160469449 [0,0,0,0,0,1|3,0,0]=4 1633 B18R2.7138 CC(=O)c1cnccc1SCC2CCCCC2 62a_100000211423_100160469449 [0,0,0,0,0,1|3,0,0]=4 1634 B18R2.7138 CC(=O)c1cnccc1SCC2CCCCC2 62a_100160469449_100000211423 [0,0,0,0,0,1|3,0,0]=4 1635 B18R2.7138 CC(=O)c1ncccc1C=CC2CCCCC2 271570a_100016283615_100012348690 [0,0,0,0,0,1|3,0,0]=4 1636 B18R2.7138 CC(=O)c1ncccc1OCC2CCCCC2 34a_100000087166_100000211423 [0,0,0,0,0,1|3,0,0]=4 1637 B18R2.7138 CC(=O)c1ncccc1OCC2CCCCC2 7a_100000087166_100000211423 [0,0,0,0,0,1|3,0,0]=4 1638 B18R2.7138 CC(=O)c1ncccc1SCC2CCCCC2 62a_100000211423_100012348690 [0,0,0,0,0,1|3,0,0]=4 1639 B18R2.7138 CC(=O)c1ncccc1SCC2CCCCC2 62a_100012348690_100000211423 [0,0,0,0,0,1|3,0,0]=4 1640 B18R2.7138 CC(=O)c1nccnc1NCC2CCCCC2 27a_100000210473_100000099859 [0,0,0,0,0,1|3,0,0]=4 1641 B18R2.7138 CC(C)c1ccccc1CNC2CCCCC2 207a_100000182618_100011361515 [0,0,0,0,0,1|2,0,1]=4 1642 B18R2.7138 CC(C)c1ccccc1CNC2CCCCC2 270004a_100000182618_100011361515 [0,0,0,0,0,1|2,0,1]=4 1643 B18R2.7138 CC(C)c1ccccc1NCC2CCCCC2 2230a_100000210643_100000211423 [0,0,0,0,0,1|2,0,1]=4 1644 B18R2.7138 CC(C)c1ccccc1NCC2CCCCC2 34a_100000210643_100000211423 [0,0,0,0,0,1|2,0,1]=4 1645 B18R2.7138 CC(C)c1ccccc1NCC2CCCCC2 7a_100000210643_100000211423 [0,0,0,0,0,1|2,0,1]=4 1646 B18R2.7138 CC(O)c1ccccc1C=CC2CCCCC2 271570a_100016283615_100000702211 [0,0,0,0,0,1|2,0,1]=4 1647 B18R2.7138 CC(O)c1ccccc1NCC2CCCCC2 2230a_100011405641_100000211423 [0,0,0,0,0,1|1,0,1]=3 1648 B18R2.7138 CC(O)c1ccccc1NCC2CCCCO2 2230a_100011405641_100000211543 [0,0,0,0,0,1|2,0,1]=4 1649 B18R2.7138 CC(O)c1ccccc1NCC2CCCOC2 2230a_100011405641_100000741521 [0,0,0,0,0,1|2,0,1]=4 1650 B18R2.7138 CC(O)c1ccccc1NCC2CCOCC2 2230a_100011405641_100000754603 [0,0,0,0,0,1|2,0,1]=4 1651 B18R2.7138 CC(O)c1ccccc1OCC2CCCCC2 34a_200011232679_100000211423 [0,0,0,0,0,1|2,0,1]=4 1652 B18R2.7138 CC(O)c1ccccc1OCC2CCCCC2 7a_200011232679_100000211423 [0,0,0,0,0,1|2,0,1]=4 1653 B18R2.7138 CC(O)c1ccccc1SCC2CCCCC2 62a_100000211423_100000702211 [0,0,0,0,0,1|2,0,1]=4 1654 B18R2.7138 CC(O)c1ccccc1SCC2CCCCC2 62a_100000702211_100000211423 [0,0,0,0,0,1|2,0,1]=4 1655 B18R2.7138 CN(C)c1ccccc1CNC2CCCCC2 207a_100000182618_100000750901 [0,0,0,0,0,1|3,0,0]=4 1656 B18R2.7138 CN(C)c1ccccc1CNC2CCCCC2 270004a_100000182618_100000750901 [0,0,0,0,0,1|3,0,0]=4 1657 B18R2.7138 CN(C)c1ccccc1CNC2CCCCC2 270004a_100000748089_100000210434 [0,0,0,0,0,1|3,0,0]=4 1658 B18R2.7138 CS(=O)c1ccccc1C=CC2CCCCC2 271570a_100016283615_100000734199 [0,0,0,0,0,1|3,0,0]=4 1659 B18R2.7138 CS(=O)c1ccccc1SCC2CCCCC2 62a_100000734199_100000211423 [0,0,0,0,0,1|3,0,0]=4 1660 B18R2.7138 FC(F)c1ccccc1CNC2CCCCC2 207a_100000182618_100009869017 [0,0,0,0,0,1|2,0,1]=4 1661 B18R2.7138 FC(F)c1ccccc1CNC2CCCCC2 270004a_100000182618_100009869017 [0,0,0,0,0,1|2,0,1]=4 1662 B18R2.7138 FC(F)c1ccccc1NCC2CCCCC2 2230a_100000734540_100000211423 [0,0,0,0,0,1|2,0,1]=4 1663 B18R2.7138 FC(F)c1ccccc1NCC2CCCCC2 34a_100000734540_100000211423 [0,0,0,0,0,1|2,0,1]=4 1664 B18R2.7138 FC(F)c1ccccc1NCC2CCCCC2 7a_100000734540_100000211423 [0,0,0,0,0,1|2,0,1]=4 1665 B18R2.7138 NC(=O)c1ccccc1C=CC2CCCCC2 271570a_100016283615_100000162227 [0,0,0,0,0,1|2,0,0]=3 1666 B18R2.7138 NC(=O)c1ccccc1NCC2CCCCC2 34a_100000185089_100000211423 [0,0,0,0,0,1|1,0,0]=2 1667 B18R2.7138 NC(=O)c1ccccc1NCC2CCCCO2 34a_100000185089_100000211543 [0,0,0,0,0,1|2,0,0]=3 1668 B18R2.7138 NC(=O)c1ccccc1NCC2CCCOC2 34a_100000185089_100000741521 [0,0,0,0,0,1|2,0,0]=3 1669 B18R2.7138 NC(=O)c1ccccc1NCC2CCOCC2 34a_100000185089_100000754603 [0,0,0,0,0,1|2,0,0]=3 1670 B18R2.7138 NC(=O)c1ccccc1OCC2CCCCC2 34a_100000192804_100000211423 [0,0,0,0,0,1|2,0,0]=3 1671 B18R2.7138 NC(=O)c1ccccc1OCC2CCCCC2 7a_100000192804_100000211423 [0,0,0,0,0,1|2,0,0]=3 1672 B18R2.7138 NC(=O)c1ccccc1OCC2CCCCO2 34a_100000192804_100000211543 [0,0,0,0,0,1|3,0,0]=4 1673 B18R2.7138 NC(=O)c1ccccc1OCC2CCCCO2 7a_100000192804_100000211543 [0,0,0,0,0,1|3,0,0]=4 1674 B18R2.7138 NC(=O)c1ccccc1OCC2CCCOC2 34a_100000192804_100000741521 [0,0,0,0,0,1|3,0,0]=4 1675 B18R2.7138 NC(=O)c1ccccc1OCC2CCCOC2 7a_100000192804_100000741521 [0,0,0,0,0,1|3,0,0]=4 1676 B18R2.7138 NC(=O)c1ccccc1OCC2CCOCC2 34a_100000192804_100000754603 [0,0,0,0,0,1|3,0,0]=4 1677 B18R2.7138 NC(=O)c1ccccc1OCC2CCOCC2 7a_100000192804_100000754603 [0,0,0,0,0,1|3,0,0]=4 1678 B18R2.7138 NC(=O)c1ccccc1SCC2CCCCC2 62a_100000162227_100000211423 [0,0,0,0,0,1|2,0,0]=3 1679 B18R2.7138 NC(=O)c1ccccc1SCC2CCCCC2 62a_100000211423_100000162227 [0,0,0,0,0,1|2,0,0]=3 1680 B18R2.7138 NC(=O)c1ccccc1SCC2CCCCO2 62a_100000162227_100000211543 [0,0,0,0,0,1|3,0,0]=4 1681 B18R2.7138 NC(=O)c1ccccc1SCC2CCCCO2 62a_100000211543_100000162227 [0,0,0,0,0,1|3,0,0]=4 1682 B18R2.7138 NC(=O)c1ccccc1SCC2CCCOC2 62a_100000162227_100000741521 [0,0,0,0,0,1|3,0,0]=4 1683 B18R2.7138 NC(=O)c1ccccc1SCC2CCCOC2 62a_100000741521_100000162227 [0,0,0,0,0,1|3,0,0]=4 1684 B18R2.7138 NC(=O)c1ccccc1SCC2CCOCC2 62a_100000162227_100000749018 [0,0,0,0,0,1|3,0,0]=4 1685 B18R2.7138 NC(=O)c1ccccc1SCC2CCOCC2 62a_100000754603_100000162227 [0,0,0,0,0,1|3,0,0]=4 1686 B18R2.7138 NC(=O)c1cccnc1C=CC2CCCCC2 271570a_100016283615_100000162199 [0,0,0,0,0,1|3,0,0]=4 1687 B18R2.7138 NC(=O)c1cccnc1NCC2CCCCC2 27a_100000210473_100000162199 [0,0,0,0,0,1|2,0,0]=3 1688 B18R2.7138 NC(=O)c1cccnc1NCC2CCCCO2 27a_100000174945_100000162199 [0,0,0,0,0,1|3,0,0]=4 1689 B18R2.7138 NC(=O)c1cccnc1NCC2CCCOC2 27a_100000720124_100000162199 [0,0,0,0,0,1|3,0,0]=4 1690 B18R2.7138 NC(=O)c1cccnc1NCC2CCOCC2 27a_100000746373_100000162199 [0,0,0,0,0,1|3,0,0]=4 1691 B18R2.7138 NC(=O)c1cccnc1NCC2CCSCC2 27a_100015188806_100000162199 [0,0,0,0,0,1|3,0,0]=4 1692 B18R2.7138 NC(=O)c1cccnc1SCC2CCCCC2 62a_100000162199_100000211423 [0,0,0,0,0,1|3,0,0]=4 1693 B18R2.7138 NC(=O)c1cccnc1SCC2CCCCC2 62a_100000211423_100000162199 [0,0,0,0,0,1|3,0,0]=4 1694 B18R2.7138 NC(=O)c1ccncc1C=CC2CCCCC2 271570a_100016283615_100010205435 [0,0,0,0,0,1|3,0,0]=4 1695 B18R2.7138 NC(=O)c1ccncc1OCC2CCCCC2 7a_100012022987_100000211423 [0,0,0,0,0,1|3,0,0]=4 1696 B18R2.7138 NC(=O)c1ccncc1SCC2CCCCC2 62a_100000211423_100010205435 [0,0,0,0,0,1|3,0,0]=4 1697 B18R2.7138 NC(=O)c1ccncc1SCC2CCCCC2 62a_100010205435_100000211423 [0,0,0,0,0,1|3,0,0]=4 1698 B18R2.7138 NC(=O)c1cnccc1C=CC2CCCCC2 271570a_100016283615_100000697804 [0,0,0,0,0,1|3,0,0]=4 1699 B18R2.7138 NC(=O)c1cnccc1NCC2CCCCC2 27a_100000210473_100000697804 [0,0,0,0,0,1|2,0,0]=3 1700 B18R2.7138 NC(=O)c1cnccc1NCC2CCCCO2 27a_100000174945_100000697804 [0,0,0,0,0,1|3,0,0]=4 1701 B18R2.7138 NC(=O)c1cnccc1NCC2CCCOC2 27a_100000720124_100000697804 [0,0,0,0,0,1|3,0,0]=4 1702 B18R2.7138 NC(=O)c1cnccc1NCC2CCOCC2 27a_100000746373_100000697804 [0,0,0,0,0,1|3,0,0]=4 1703 B18R2.7138 NC(=O)c1cnccc1NCC2CCSCC2 27a_100015188806_100000697804 [0,0,0,0,0,1|3,0,0]=4 1704 B18R2.7138 NC(=O)c1cnccc1OCC2CCCCC2 34a_200011998761_100000211423 [0,0,0,0,0,1|3,0,0]=4 1705 B18R2.7138 NC(=O)c1cnccc1SCC2CCCCC2 62a_100000211423_100000697804 [0,0,0,0,0,1|3,0,0]=4 1706 B18R2.7138 NC(=O)c1cnccc1SCC2CCCCC2 62a_100000697804_100000211423 [0,0,0,0,0,1|3,0,0]=4 1707 B18R2.7138 NC(=O)c1ncccc1C=CC2CCCCC2 271570a_100016283615_200012359670 [0,0,0,0,0,1|3,0,0]=4 1708 B18R2.7138 NC(=O)c1ncccc1NCC2CCCCC2 27a_100000210473_200012359670 [0,0,0,0,0,1|2,0,0]=3 1709 B18R2.7138 NC(=O)c1ncccc1NCC2CCCCO2 27a_100000174945_200012359670 [0,0,0,0,0,1|3,0,0]=4 1710 B18R2.7138 NC(=O)c1ncccc1NCC2CCCOC2 27a_100000720124_200012359670 [0,0,0,0,0,1|3,0,0]=4 1711 B18R2.7138 NC(=O)c1ncccc1NCC2CCOCC2 27a_100000746373_200012359670 [0,0,0,0,0,1|3,0,0]=4 1712 B18R2.7138 NC(=O)c1ncccc1NCC2CCSCC2 27a_100015188806_200012359670 [0,0,0,0,0,1|3,0,0]=4 1713 B18R2.7138 NC(=O)c1ncccc1OCC2CCCCC2 34a_200011215183_100000211423 [0,0,0,0,0,1|3,0,0]=4 1714 B18R2.7138 NC(=O)c1ncccc1OCC2CCCCC2 7a_200011215183_100000211423 [0,0,0,0,0,1|3,0,0]=4 1715 B18R2.7138 NC(=O)c1ncccc1SCC2CCCCC2 62a_100000211423_200012359670 [0,0,0,0,0,1|3,0,0]=4 1716 B18R2.7138 NC(=O)c1ncccc1SCC2CCCCC2 62a_200012359670_100000211423 [0,0,0,0,0,1|3,0,0]=4 1717 B18R2.7138 NC(=O)c1nccnc1NCC2CCCCC2 27a_100000210473_100000094861 [0,0,0,0,0,1|3,0,0]=4 1718 B18R2.7138 NC(=S)c1ccccc1OCC2CCCCC2 7a_100000745089_100000211423 [0,0,0,0,0,1|2,1,0]=4 1719 B18R2.7138 O=C(O)c1ccccc1CNC2C=CCCC2 269956a_100015183376_100000751183 [0,0,0,0,0,1|0,0,2]=3 1720 B18R2.7138 O=C(O)c1ccccc1CNC2CCCCC2 269956a_100015183376_100000210327 [0,0,0,0,0,1|0,0,0]=1 1721 B18R2.7138 O=C(O)c1ccccc1CNC2CCCOC2 269956a_100015183376_100000693364 [0,0,0,0,0,1|1,0,0]=2 1722 B18R2.7138 O=C(O)c1ccccc1CNC2CCOCC2 269956a_100015183376_100011324220 [0,0,0,0,0,1|1,0,0]=2 1723 B18R2.7138 O=C(O)c1ccccc1CNC2CCSCC2 269956a_100015183376_100000069128 [0,0,0,0,0,1|1,0,0]=2 1724 B18R2.7138 O=C(O)c1ccccc1SCC2CCCCC2 62a_100000211423_100000734275 [0,0,0,0,0,1|1,0,0]=2 1725 B18R2.7138 O=C(O)c1ccccc1SCC2CCCCC2 62a_202125556159_100000211423 [0,0,0,0,0,1|1,0,0]=2 1726 B18R2.7138 O=C(O)c1ccccc1SCC2CCCCO2 62a_100000211543_100000734275 [0,0,0,0,0,1|2,0,0]=3 1727 B18R2.7138 O=C(O)c1ccccc1SCC2CCCCO2 62a_202125556159_100000211543 [0,0,0,0,0,1|2,0,0]=3 1728 B18R2.7138 O=C(O)c1ccccc1SCC2CCCOC2 62a_100000741521_100000734275 [0,0,0,0,0,1|2,0,0]=3 1729 B18R2.7138 O=C(O)c1ccccc1SCC2CCCOC2 62a_202125556159_100000741521 [0,0,0,0,0,1|2,0,0]=3 1730 B18R2.7138 O=C(O)c1ccccc1SCC2CCOCC2 62a_100000754603_100000734275 [0,0,0,0,0,1|2,0,0]=3 1731 B18R2.7138 O=C(O)c1ccccc1SCC2CCOCC2 62a_202125556159_100000749018 [0,0,0,0,0,1|2,0,0]=3 1732 B18R2.7138 O=C([O-])c1ccccc1OCC2CCCCC2 7a_100015234032_100000211423 [0,0,0,0,0,1|1,0,1]=3 1733 B18R2.7138 O=C([O-])c1ccccc1OCC2CCCCO2 7a_100015234032_100000211543 [0,0,0,0,0,1|2,0,1]=4 1734 B18R2.7138 O=C([O-])c1ccccc1OCC2CCCOC2 7a_100015234032_100000741521 [0,0,0,0,0,1|2,0,1]=4 1735 B18R2.7138 O=C([O-])c1ccccc1OCC2CCOCC2 7a_100015234032_100000754603 [0,0,0,0,0,1|2,0,1]=4 1736 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCCCC2 2230a_100000182618_100000181388 [0,0,0,0,0,1|1,0,1]=3 1737 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCCCC2 270004a_100000182618_100000186027 [0,0,0,0,0,1|1,0,1]=3 1738 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCCCC2 270004a_100000740939_100000210434 [0,0,0,0,0,1|1,0,1]=3 1739 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCCCC2 34a_100000182618_100000181388 [0,0,0,0,0,1|1,0,1]=3 1740 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCCOC2 2230a_100000719290_100000181388 [0,0,0,0,0,1|2,0,1]=4 1741 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCCOC2 270004a_100000719290_100000186027 [0,0,0,0,0,1|2,0,1]=4 1742 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCCOC2 270004a_100000740939_100000753404 [0,0,0,0,0,1|2,0,1]=4 1743 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCCOC2 34a_100000719290_100000181388 [0,0,0,0,0,1|2,0,1]=4 1744 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCCSC2 270004a_100000740939_100000057913 [0,0,0,0,0,1|2,0,1]=4 1745 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCNCC2 270004a_100000740939_100015192401 [0,0,0,0,0,1|2,0,1]=4 1746 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCOCC2 2230a_100000741149_100000181388 [0,0,0,0,0,1|2,0,1]=4 1747 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCOCC2 270004a_100000740939_100011217826 [0,0,0,0,0,1|2,0,1]=4 1748 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCOCC2 270004a_100000741149_100000186027 [0,0,0,0,0,1|2,0,1]=4 1749 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCOCC2 34a_100000741149_100000181388 [0,0,0,0,0,1|2,0,1]=4 1750 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCSCC2 2230a_100000748639_100000181388 [0,0,0,0,0,1|2,0,1]=4 1751 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCSCC2 270004a_100000740939_100000203788 [0,0,0,0,0,1|2,0,1]=4 1752 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCSCC2 270004a_100000748639_100000186027 [0,0,0,0,0,1|2,0,1]=4 1753 B18R2.7138 O=[N+]([O-])c1ccccc1CNC2CCSCC2 34a_100000748639_100000181388 [0,0,0,0,0,1|2,0,1]=4 1754 B18R2.7138 O=[N+]([O-])c1ccccc1COC2CCCCC2 34a_100000210231_100000181388 [0,0,0,0,0,1|2,0,1]=4 1755 B18R2.7138 O=[N+]([O-])c1ccccc1COC2CCCCC2 7a_100000210231_100000181388 [0,0,0,0,0,1|2,0,1]=4 1756 B18R2.7138 O=[N+]([O-])c1ccccc1COC2CCCCC2 7a_100011218404_100000210327 [0,0,0,0,0,1|2,0,1]=4 1757 B18R2.7138 O=[N+]([O-])c1ccccc1CSC2CCCCC2 62a_100000210327_100000181388 [0,0,0,0,0,1|2,0,1]=4 1758 B18R2.7138 O=[N+]([O-])c1ccccc1NN=C2CCCCC2 4a_100000737275_100000210434 [0,0,0,0,0,1|1,0,2]=4 1759 B18R2.7138 O=[N+]([O-])c1ccccc1OCC2CCCCC2 34a_100000186319_100000211423 [0,0,0,0,0,1|2,0,1]=4 1760 B18R2.7138 O=[N+]([O-])c1ccccc1OCC2CCCCC2 7a_100000186319_100000211423 [0,0,0,0,0,1|2,0,1]=4 1761 B18R2.7138 OB(O)c1ccccc1C=CC2CCCCC2 271570a_100016283615_100000693059 [0,0,0,0,0,1|2,0,1]=4 1762 B18R2.7138 OB(O)c1ccccc1CNC2CCCCC2 2230a_100000182618_100009814197 [0,0,0,0,0,1|1,0,1]=3 1763 B18R2.7138 OB(O)c1ccccc1CNC2CCCCC2 34a_100000182618_100009814197 [0,0,0,0,0,1|1,0,1]=3 1764 B18R2.7138 OB(O)c1ccccc1CNC2CCCOC2 2230a_100000719290_100009814197 [0,0,0,0,0,1|2,0,1]=4 1765 B18R2.7138 OB(O)c1ccccc1CNC2CCCOC2 34a_100000719290_100009814197 [0,0,0,0,0,1|2,0,1]=4 1766 B18R2.7138 OB(O)c1ccccc1CNC2CCOCC2 2230a_100000741149_100009814197 [0,0,0,0,0,1|2,0,1]=4 1767 B18R2.7138 OB(O)c1ccccc1CNC2CCOCC2 34a_100000741149_100009814197 [0,0,0,0,0,1|2,0,1]=4 1768 B18R2.7138 OB(O)c1ccccc1CNC2CCSCC2 2230a_100000748639_100009814197 [0,0,0,0,0,1|2,0,1]=4 1769 B18R2.7138 OB(O)c1ccccc1CNC2CCSCC2 34a_100000748639_100009814197 [0,0,0,0,0,1|2,0,1]=4 1770 B18R2.7138 OB(O)c1ccccc1COC2CCCCC2 34a_100000210231_100009814197 [0,0,0,0,0,1|2,0,1]=4 1771 B18R2.7138 OB(O)c1ccccc1COC2CCCCC2 7a_100000210231_100009814197 [0,0,0,0,0,1|2,0,1]=4 1772 B18R2.7138 OB(O)c1ccccc1CSC2CCCCC2 62a_100000210327_100009814197 [0,0,0,0,0,1|2,0,1]=4 1773 B18R2.7138 OB(O)c1ccccc1CSC2CCCCC2 62a_100009814197_100000210327 [0,0,0,0,0,1|2,0,1]=4 1774 B18R2.7138 OB(O)c1ccccc1SCC2CCCCC2 62a_100000211423_100000693059 [0,0,0,0,0,1|2,0,1]=4 1775 B18R2.7138 OB(O)c1ccccc1SCC2CCCCC2 62a_100000693059_100000211423 [0,0,0,0,0,1|2,0,1]=4 1776 B18R2.7138 [13CH3]C(=O)c1ccccc1COC2CCOCC2 1458a_200000690114_200025704644 [0,0,0,0,0,1|3,0,0]=4 1777 B18R2.7138 [13CH3]C(=O)c1ccccc1OCC2CCCCO2 1458a_200000274291_200025704644 [0,0,0,0,0,1|3,0,0]=4 1778 B18R2.7181 CC(=Cc1ccccc1OC2CCCCC2)C 271570a_100102525489_200011235867 [0,0,0,0,0,1|3,0,0]=4 1779 B18R2.7181 CC(=O)Cc1ccccc1SC2CCCCC2 62a_100000210327_100011350739 [0,0,0,0,0,1|2,0,0]=3 1780 B18R2.7181 CC(=O)Cc1ccccc1SC2CCCCC2 62a_100011350739_100000210327 [0,0,0,0,0,1|2,0,0]=3 1781 B18R2.7181 CC(=O)Cc1ccccc1SC2CCCOC2 62a_100011350739_100000693364 [0,0,0,0,0,1|3,0,0]=4 1782 B18R2.7181 CC(=O)Cc1ccccc1SC2CCOCC2 62a_100011350739_100011324220 [0,0,0,0,0,1|3,0,0]=4 1783 B18R2.7181 CC(=O)Cc1ccccc1SC2CCSCC2 62a_100011350739_100000069128 [0,0,0,0,0,1|3,0,0]=4 1784 B18R2.7181 CC(=O)Nc1ccccc1CN2CCCCC2 11a_100011207396_100015343762 [0,0,0,0,0,1|3,0,0]=4 1785 B18R2.7181 CC(=O)Nc1ccccc1CN2CCCCC2 1626a_100011207396_100015343762 [0,0,0,0,0,1|3,0,0]=4 1786 B18R2.7181 CC(=O)Nc1ccccc1CN2CCCCC2 22a_100011207396_100000070787 [0,0,0,0,0,1|3,0,0]=4 1787 B18R2.7181 CC(=O)Nc1ccccc1NC2CCCCC2 34a_100011193560_100000210327 [0,0,0,0,0,1|1,0,0]=2 1788 B18R2.7181 CC(=O)Nc1ccccc1NC2CCCOC2 34a_100011193560_100000693364 [0,0,0,0,0,1|2,0,0]=3 1789 B18R2.7181 CC(=O)Nc1ccccc1NC2CCSCC2 34a_100011193560_100000069128 [0,0,0,0,0,1|2,0,0]=3 1790 B18R2.7181 CC(=O)Nc1ccccc1OC2CCCCC2 34a_100000185124_100000210327 [0,0,0,0,0,1|2,0,0]=3 1791 B18R2.7181 CC(=O)Nc1ccccc1OC2CCCCC2 7a_100000185124_100000210327 [0,0,0,0,0,1|2,0,0]=3 1792 B18R2.7181 CC(=O)Nc1ccccc1OC2CCCOC2 34a_100000185124_100000693364 [0,0,0,0,0,1|3,0,0]=4 1793 B18R2.7181 CC(=O)Nc1ccccc1OC2CCCOC2 7a_100000185124_100000693364 [0,0,0,0,0,1|3,0,0]=4 1794 B18R2.7181 CC(=O)Nc1ccccc1OC2CCOCC2 11a_100011439705_100015343762 [0,0,0,0,0,1|3,0,0]=4 1795 B18R2.7181 CC(=O)Nc1ccccc1OC2CCOCC2 1626a_100011439705_100015343762 [0,0,0,0,0,1|3,0,0]=4 1796 B18R2.7181 CC(=O)Nc1ccccc1OC2CCOCC2 22a_100011439705_100000070787 [0,0,0,0,0,1|3,0,0]=4 1797 B18R2.7181 CC(=O)Nc1ccccc1OC2CCOCC2 7a_100000185124_100000686592 [0,0,0,0,0,1|3,0,0]=4 1798 B18R2.7181 CC(=O)Nc1ccccc1OC2CCSCC2 34a_100000185124_100000069128 [0,0,0,0,0,1|3,0,0]=4 1799 B18R2.7181 CC(=O)Nc1ccccc1OC2CCSCC2 7a_100000185124_100011500858 [0,0,0,0,0,1|3,0,0]=4 1800 B18R2.7181 CC(=O)Nc1ccccc1SC2CCCCC2 11a_100011235873_100015343762 [0,0,0,0,0,1|2,0,0]=3 1801 B18R2.7181 CC(=O)Nc1ccccc1SC2CCCCC2 1626a_100011235873_100015343762 [0,0,0,0,0,1|2,0,0]=3 1802 B18R2.7181 CC(=O)Nc1ccccc1SC2CCCCC2 22a_100011235873_100000070787 [0,0,0,0,0,1|2,0,0]=3 1803 B18R2.7181 CC(=O)Nc1ccccc1SC2CCCCC2 62a_100000210327_100000153524 [0,0,0,0,0,1|2,0,0]=3 1804 B18R2.7181 CC(=O)Nc1ccncc1SC2CCCCC2 62a_100000210327_100016132053 [0,0,0,0,0,1|3,0,0]=4 1805 B18R2.7181 CC(=O)Nc1ncccc1OC2CCCCC2 34a_200000022013_100000210327 [0,0,0,0,0,1|3,0,0]=4 1806 B18R2.7181 CC(=O)Nc1ncccc1OC2CCCCC2 7a_200000022013_100000210327 [0,0,0,0,0,1|3,0,0]=4 1807 B18R2.7181 CC(=O)Oc1ccccc1SC2CCCCC2 62a_100000051690_100000210327 [0,0,0,0,0,1|2,0,0]=3 1808 B18R2.7181 CC(=O)Oc1ccccc1SC2CCCCC2 62a_100000210327_100000051690 [0,0,0,0,0,1|2,0,0]=3 1809 B18R2.7181 CC(=O)Oc1ccccc1SC2CCCOC2 62a_100000051690_100000693364 [0,0,0,0,0,1|3,0,0]=4 1810 B18R2.7181 CC(=O)Oc1ccccc1SC2CCOCC2 62a_100000051690_100011324220 [0,0,0,0,0,1|3,0,0]=4 1811 B18R2.7181 CC(=O)Oc1ccccc1SC2CCSCC2 62a_100000051690_100000069128 [0,0,0,0,0,1|3,0,0]=4 1812 B18R2.7181 CC(=O)Oc1cccnc1SC2CCCCC2 62a_100000210327_200009815371 [0,0,0,0,0,1|3,0,0]=4 1813 B18R2.7181 CC(=O)Oc1cccnc1SC2CCCCC2 62a_200009815371_100000210327 [0,0,0,0,0,1|3,0,0]=4 1814 B18R2.7181 CC(C)Oc1ccccc1NC2CCCCC2 34a_100000739276_100000210327 [0,0,0,0,0,1|2,0,1]=4 1815 B18R2.7181 CC(C)Sc1ccccc1NC2CCCCC2 34a_100000688217_100000210327 [0,0,0,0,0,1|2,0,1]=4 1816 B18R2.7181 FC(F)Oc1ccccc1NC2CCCCC2 34a_100000182466_100000210327 [0,0,0,0,0,1|2,0,1]=4 1817 B18R2.7181 NC(=O)Cc1ccccc1SC2CCCCC2 62a_100000210327_200009814924 [0,0,0,0,0,1|2,0,0]=3 1818 B18R2.7181 NC(=O)Cc1ccccc1SC2CCCCC2 62a_200009814924_100000210327 [0,0,0,0,0,1|2,0,0]=3 1819 B18R2.7181 NC(=O)Cc1ccccc1SC2CCCOC2 62a_200009814924_100000693364 [0,0,0,0,0,1|3,0,0]=4 1820 B18R2.7181 NC(=O)Cc1ccccc1SC2CCOCC2 62a_200009814924_100011324220 [0,0,0,0,0,1|3,0,0]=4 1821 B18R2.7181 NC(=O)Cc1ccccc1SC2CCSCC2 62a_200009814924_100000069128 [0,0,0,0,0,1|3,0,0]=4 1822 B18R2.7181 NC(=O)Nc1ccccc1SC2CCCCC2 62a_100000210327_100000742221 [0,0,0,0,0,1|2,0,0]=3 1823 B18R2.7181 NC(=S)Nc1ccccc1OC2CCCCC2 7a_200000011649_100000210327 [0,0,0,0,0,1|2,1,0]=4 1824 B18R2.72132 C=C(C)c1ccccc1NC2CCCCCC2 34a_100000037685_100011217769 [0,0,0,0,0,1|2,0,0]=3 1825 B18R2.72132 CC(=O)c1ccccc1SC2CCCCCC2 62a_100000751169_100011217769 [0,0,0,0,0,1|2,0,0]=3 1826 B18R2.72132 CC(=O)c1cccnc1NC2CCCCCC2 27a_100000210984_100009816689 [0,0,0,0,0,1|2,0,0]=3 1827 B18R2.72132 CC(=O)c1cccnc1SC2CCCCCC2 62a_100000753718_100011217769 [0,0,0,0,0,1|3,0,0]=4 1828 B18R2.72132 CC(=O)c1cccnc1SC2CCCCCC2 62a_100011217769_100000753718 [0,0,0,0,0,1|3,0,0]=4 1829 B18R2.72132 CC(=O)c1ccncc1SC2CCCCCC2 62a_100009993184_100011217769 [0,0,0,0,0,1|3,0,0]=4 1830 B18R2.72132 CC(=O)c1ccncc1SC2CCCCCC2 62a_100011217769_100009993184 [0,0,0,0,0,1|3,0,0]=4 1831 B18R2.72132 CC(=O)c1cnccc1NC2CCCCCC2 27a_100000210984_100160469449 [0,0,0,0,0,1|2,0,0]=3 1832 B18R2.72132 CC(=O)c1cnccc1SC2CCCCCC2 62a_100011217769_100160469449 [0,0,0,0,0,1|3,0,0]=4 1833 B18R2.72132 CC(=O)c1cnccc1SC2CCCCCC2 62a_100160469449_100011217769 [0,0,0,0,0,1|3,0,0]=4 1834 B18R2.72132 CC(=O)c1ncccc1OC2CCCCCC2 34a_100000087166_100011217769 [0,0,0,0,0,1|3,0,0]=4 1835 B18R2.72132 CC(=O)c1ncccc1SC2CCCCCC2 62a_100011217769_100012348690 [0,0,0,0,0,1|3,0,0]=4 1836 B18R2.72132 CC(=O)c1ncccc1SC2CCCCCC2 62a_100012348690_100011217769 [0,0,0,0,0,1|3,0,0]=4 1837 B18R2.72132 CC(=O)c1nccnc1NC2CCCCCC2 27a_100000210984_100000099859 [0,0,0,0,0,1|3,0,0]=4 1838 B18R2.72132 CC(C)c1ccccc1NC2CCCCCC2 34a_100000210643_100011217769 [0,0,0,0,0,1|2,0,1]=4 1839 B18R2.72132 CC(O)c1ccccc1OC2CCCCCC2 34a_200011232679_100011217769 [0,0,0,0,0,1|2,0,1]=4 1840 B18R2.72132 CC(O)c1ccccc1SC2CCCCCC2 62a_100000702211_100011217769 [0,0,0,0,0,1|2,0,1]=4 1841 B18R2.72132 CC(O)c1ccccc1SC2CCCCCC2 62a_100011217769_100000702211 [0,0,0,0,0,1|2,0,1]=4 1842 B18R2.72132 CS(=O)c1ccccc1SC2CCCCCC2 62a_100000734199_100011217769 [0,0,0,0,0,1|3,0,0]=4 1843 B18R2.72132 FC(F)c1ccccc1NC2CCCCCC2 34a_100000734540_100011217769 [0,0,0,0,0,1|2,0,1]=4 1844 B18R2.72132 NC(=O)c1ccccc1NC2CCCCCC2 34a_100000185089_100011217769 [0,0,0,0,0,1|1,0,0]=2 1845 B18R2.72132 NC(=O)c1ccccc1OC2CCCCCC2 34a_100000192804_100011217769 [0,0,0,0,0,1|2,0,0]=3 1846 B18R2.72132 NC(=O)c1ccccc1SC2CCCCCC2 62a_100000162227_100011217769 [0,0,0,0,0,1|2,0,0]=3 1847 B18R2.72132 NC(=O)c1ccccc1SC2CCCCCC2 62a_100011217769_100000162227 [0,0,0,0,0,1|2,0,0]=3 1848 B18R2.72132 NC(=O)c1cccnc1NC2CCCCCC2 27a_100000210984_100000162199 [0,0,0,0,0,1|2,0,0]=3 1849 B18R2.72132 NC(=O)c1cccnc1SC2CCCCCC2 62a_100000162199_100011217769 [0,0,0,0,0,1|3,0,0]=4 1850 B18R2.72132 NC(=O)c1cccnc1SC2CCCCCC2 62a_100011217769_100000162199 [0,0,0,0,0,1|3,0,0]=4 1851 B18R2.72132 NC(=O)c1ccncc1SC2CCCCCC2 62a_100010205435_100011217769 [0,0,0,0,0,1|3,0,0]=4 1852 B18R2.72132 NC(=O)c1ccncc1SC2CCCCCC2 62a_100011217769_100010205435 [0,0,0,0,0,1|3,0,0]=4 1853 B18R2.72132 NC(=O)c1cnccc1NC2CCCCCC2 27a_100000210984_100000697804 [0,0,0,0,0,1|2,0,0]=3 1854 B18R2.72132 NC(=O)c1cnccc1OC2CCCCCC2 34a_200011998761_100011217769 [0,0,0,0,0,1|3,0,0]=4 1855 B18R2.72132 NC(=O)c1cnccc1SC2CCCCCC2 62a_100000697804_100011217769 [0,0,0,0,0,1|3,0,0]=4 1856 B18R2.72132 NC(=O)c1cnccc1SC2CCCCCC2 62a_100011217769_100000697804 [0,0,0,0,0,1|3,0,0]=4 1857 B18R2.72132 NC(=O)c1ncccc1NC2CCCCCC2 27a_100000210984_200012359670 [0,0,0,0,0,1|2,0,0]=3 1858 B18R2.72132 NC(=O)c1ncccc1OC2CCCCCC2 34a_200011215183_100011217769 [0,0,0,0,0,1|3,0,0]=4 1859 B18R2.72132 NC(=O)c1ncccc1SC2CCCCCC2 62a_100011217769_200012359670 [0,0,0,0,0,1|3,0,0]=4 1860 B18R2.72132 NC(=O)c1ncccc1SC2CCCCCC2 62a_200012359670_100011217769 [0,0,0,0,0,1|3,0,0]=4 1861 B18R2.72132 NC(=O)c1nccnc1NC2CCCCCC2 27a_100000210984_100000094861 [0,0,0,0,0,1|3,0,0]=4 1862 B18R2.72132 O=C(O)c1ccccc1SC2CCCCCC2 62a_100011217769_100000734275 [0,0,0,0,0,1|1,0,0]=2 1863 B18R2.72132 O=C(O)c1ccccc1SC2CCCCCC2 62a_202125556159_100011217769 [0,0,0,0,0,1|1,0,0]=2 1864 B18R2.72132 O=[N+]([O-])c1ccccc1OC2CCCCCC2 34a_100000186319_100011217769 [0,0,0,0,0,1|2,0,1]=4 1865 B18R2.72132 OB(O)c1ccccc1SC2CCCCCC2 62a_100000693059_100011217769 [0,0,0,0,0,1|2,0,1]=4 1866 B18R2.72132 OB(O)c1ccccc1SC2CCCCCC2 62a_100011217769_100000693059 [0,0,0,0,0,1|2,0,1]=4 1867 B15R1.241 C=C(C)c1ccccc1NCCCCC 34a_100000037685_100000718602 [1,0,1,0,0,0|2,0,0]=4 1868 B15R1.241 CCCCCNc1ccccc1C(=O)N 34a_100000185089_100000718602 [1,0,1,0,0,0|1,0,0]=3 1869 B15R1.241 CCCCCNc1ccccc1C(C)O 2230a_100011405641_100000210326 [1,0,1,0,0,0|1,0,1]=4 1870 B15R1.241 CCCCCNc1cccnc1C(=O)N 27a_100000209983_200012359670 [1,0,1,0,0,0|2,0,0]=4 1871 B15R1.241 CCCCCNc1ccncc1C(=O)C 27a_100000209983_100160469449 [1,0,1,0,0,0|2,0,0]=4 1872 B15R1.241 CCCCCNc1ccncc1C(=O)N 27a_100000209983_100000697804 [1,0,1,0,0,0|2,0,0]=4 1873 B15R1.241 CCCCCNc1ncccc1C(=O)C 27a_100000209983_100009816689 [1,0,1,0,0,0|2,0,0]=4 1874 B15R1.241 CCCCCNc1ncccc1C(=O)N 27a_100000209983_100000162199 [1,0,1,0,0,0|2,0,0]=4 1875 B15R1.241 CCCCCOc1ccccc1C(=O)N 34a_100000192804_100000718602 [1,0,1,0,0,0|2,0,0]=4 1876 B15R1.241 CCCCCOc1ccccc1C(=O)N 7a_100000192804_100000210326 [1,0,1,0,0,0|2,0,0]=4 1877 B15R1.241 CCCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210326 [1,0,1,0,0,0|1,0,1]=4 1878 B15R1.241 CCCCCSc1ccccc1C(=O)C 62a_100000751169_100000210326 [1,0,1,0,0,0|2,0,0]=4 1879 B15R1.241 CCCCCSc1ccccc1C(=O)N 62a_100000162227_100000210326 [1,0,1,0,0,0|2,0,0]=4 1880 B15R1.241 CCCCCSc1ccccc1C(=O)N 62a_100000210326_100000162227 [1,0,1,0,0,0|2,0,0]=4 1881 B15R1.241 CCCCCSc1ccccc1C(=O)O 62a_100000210326_100000734275 [1,0,1,0,0,0|1,0,0]=3 1882 B15R1.241 CCCCCSc1ccccc1C(=O)O 62a_202125556159_100000210326 [1,0,1,0,0,0|1,0,0]=3 1883 B15R1.241 CCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210211 [1,0,1,0,0,0|1,0,0]=3 1884 B15R1.241 CCOCCNc1ccccc1C(=O)N 34a_100000185089_100000210147 [1,0,1,0,0,0|2,0,0]=4 1885 B15R1.241 CCOCCSc1ccccc1C(=O)O 62a_100000210147_100000734275 [1,0,1,0,0,0|2,0,0]=4 1886 B15R1.241 CCOCCSc1ccccc1C(=O)O 62a_202125556159_100011215890 [1,0,1,0,0,0|2,0,0]=4 1887 B15R1.241 CCOCNCc1ccccc1C(=O)O 269956a_100015183376_100000739092 [1,0,1,0,0,0|2,0,0]=4 1888 B15R1.241 CCSCCNc1ccccc1C(=O)N 34a_100000185089_100000757381 [1,0,1,0,0,0|2,0,0]=4 1889 B15R1.241 CCSCCSc1ccccc1C(=O)O 62a_100000757381_100000734275 [1,0,1,0,0,0|2,0,0]=4 1890 B15R1.241 CCSCCSc1ccccc1C(=O)O 62a_202125556159_100000757381 [1,0,1,0,0,0|2,0,0]=4 1891 B15R1.241 COCCCNc1ccccc1C(=O)N 34a_100000185089_100000740836 [1,0,1,0,0,0|2,0,0]=4 1892 B15R1.241 COCCCSc1ccccc1C(=O)O 62a_100000709357_100000734275 [1,0,1,0,0,0|2,0,0]=4 1893 B15R1.241 COCCCSc1ccccc1C(=O)O 62a_202125556159_100000709357 [1,0,1,0,0,0|2,0,0]=4 1894 B15R1.241 COCCNCc1ccccc1C(=O)O 269956a_100015183376_100000233755 [1,0,1,0,0,0|2,0,0]=4 1895 B15R1.241 CSCCNCc1ccccc1C(=O)O 269956a_100015183376_100000212216 [1,0,1,0,0,0|2,0,0]=4 1896 B15R1.241 NC(=O)c1ccccc1NCCCCF 34a_100000185089_100000729493 [1,0,1,0,0,0|2,0,0]=4 1897 B15R1.241 NC(=O)c1ccccc1NCCCCO 34a_100000185089_100011216708 [1,0,1,0,0,0|2,0,0]=4 1898 B15R1.241 O=C(O)c1ccccc1CNCCCF 269956a_100015183376_100011934791 [1,0,1,0,0,0|2,0,0]=4 1899 B15R1.241 O=C(O)c1ccccc1CNCCCO 269956a_100015183376_100011215043 [1,0,1,0,0,0|2,0,0]=4 1900 B15R1.241 O=C(O)c1ccccc1SCCCCF 62a_100000729493_100000734275 [1,0,1,0,0,0|2,0,0]=4 1901 B15R1.241 O=C(O)c1ccccc1SCCCCF 62a_202125556159_100000729493 [1,0,1,0,0,0|2,0,0]=4 1902 B15R1.241 O=C(O)c1ccccc1SCCCCO 62a_100000210776_100000734275 [1,0,1,0,0,0|2,0,0]=4 1903 B15R1.241 O=C(O)c1ccccc1SCCCCO 62a_202125556159_100000210776 [1,0,1,0,0,0|2,0,0]=4 1904 B15R1.1045 C#Cc1ccccc1NCCCCCC 34a_100011470550_100000210314 [1,0,1,0,0,0|1,0,1]=4 1905 B15R1.1045 C=Cc1ccccc1NCCCCCC 34a_100012022501_100000210314 [1,0,1,0,0,0|1,0,0]=3 1906 B15R1.1045 C=Cc1ccccc1NCCCCCF 34a_100012022501_100000729378 [1,0,1,0,0,0|2,0,0]=4 1907 B15R1.1045 C=Cc1ccccc1NCCCCCO 34a_100012022501_100000746330 [1,0,1,0,0,0|2,0,0]=4 1908 B15R1.1045 C=Cc1ccccc1NCCCCOC 34a_100012022501_100000755781 [1,0,1,0,0,0|2,0,0]=4 1909 B15R1.1045 C=Cc1ccccc1NCCCOCC 34a_100012022501_100012232248 [1,0,1,0,0,0|2,0,0]=4 1910 B15R1.1045 C=Cc1ccccc1NCCOCCC 34a_100012022501_100011215938 [1,0,1,0,0,0|2,0,0]=4 1911 B15R1.1045 C=Cc1ccccc1NCOCCCC 34a_100012022501_100011995733 [1,0,1,0,0,0|2,0,0]=4 1912 B15R1.1045 CCCCCC=Cc1ccccc1C=O 271570a_100000062253_100000211189 [1,0,1,0,0,0|1,0,1]=4 1913 B15R1.1045 CCCCCCNc1ccccc1C#N 34a_100000211148_100000210314 [1,0,1,0,0,0|1,0,1]=4 1914 B15R1.1045 CCCCCCNc1ccccc1CC 2230a_100000212081_100000210314 [1,0,1,0,0,0|1,0,1]=4 1915 B15R1.1045 CCCCCCNc1ccccc1CC 34a_100000212081_100000210314 [1,0,1,0,0,0|1,0,1]=4 1916 B15R1.1045 CCCCCCNc1ccccc1CC 7a_100000212081_100000210314 [1,0,1,0,0,0|1,0,1]=4 1917 B15R1.1045 CCCCCCNc1ccccc1CO 34a_100000212039_100000210314 [1,0,1,0,0,0|0,0,1]=3 1918 B15R1.1045 CCCCCCNc1ccccc1OC 34a_100000210025_100000210314 [1,0,1,0,0,0|2,0,0]=4 1919 B15R1.1045 CCCCCCNc1ccccc1SC 34a_100000211160_100000210314 [1,0,1,0,0,0|2,0,0]=4 1920 B15R1.1045 CCCCCCNc1ccncc1CO 27a_100000210581_100000117392 [1,0,1,0,0,0|1,0,1]=4 1921 B15R1.1045 CCCCCCOc1ccccc1CO 34a_100011216872_100000210314 [1,0,1,0,0,0|1,0,1]=4 1922 B15R1.1045 CCCCCCSc1ccccc1C=O 62a_100000210073_100000210757 [1,0,1,0,0,0|1,0,0]=3 1923 B15R1.1045 CCCCCCSc1ccccc1C=O 62a_100000210314_100000210073 [1,0,1,0,0,0|1,0,0]=3 1924 B15R1.1045 CCCCCCSc1ccccc1CO 62a_100000187465_100000210757 [1,0,1,0,0,0|1,0,1]=4 1925 B15R1.1045 CCCCCCSc1ccccc1CO 62a_100000210314_100000187465 [1,0,1,0,0,0|1,0,1]=4 1926 B15R1.1045 CCCCCCSc1cccnc1C=O 62a_100000210314_100011934733 [1,0,1,0,0,0|2,0,0]=4 1927 B15R1.1045 CCCCCCSc1cccnc1C=O 62a_100011934733_100000210757 [1,0,1,0,0,0|2,0,0]=4 1928 B15R1.1045 CCCCCCSc1ccncc1C=O 62a_100000050567_100000210757 [1,0,1,0,0,0|2,0,0]=4 1929 B15R1.1045 CCCCCCSc1ccncc1C=O 62a_100000210314_100000050567 [1,0,1,0,0,0|2,0,0]=4 1930 B15R1.1045 CCCCCCSc1cnccc1C=O 62a_100000210314_100011934409 [1,0,1,0,0,0|2,0,0]=4 1931 B15R1.1045 CCCCCCSc1cnccc1C=O 62a_100011934409_100000210757 [1,0,1,0,0,0|2,0,0]=4 1932 B15R1.1045 CCCCCCSc1ncccc1C=O 62a_100000210314_100009816751 [1,0,1,0,0,0|2,0,0]=4 1933 B15R1.1045 CCCCCCSc1ncccc1C=O 62a_100009816751_100000210757 [1,0,1,0,0,0|2,0,0]=4 1934 B15R1.1045 CCCCCNCc1ccccc1C=O 2230a_100000209983_200009853537 [1,0,1,0,0,0|2,0,0]=4 1935 B15R1.1045 CCCCCOCc1ccccc1C=O 34a_100000210253_200009853537 [1,0,1,0,0,0|2,0,0]=4 1936 B15R1.1045 CCCCCOCc1ccccc1C=O 7a_100000210253_200009853537 [1,0,1,0,0,0|2,0,0]=4 1937 B15R1.1045 CCCCCSCc1ccccc1C=O 62a_100000210326_200009853537 [1,0,1,0,0,0|2,0,0]=4 1938 B15R1.1045 CCCCCSCc1ccccc1C=O 62a_200009853537_100000210326 [1,0,1,0,0,0|2,0,0]=4 1939 B15R1.1045 CCCCNCCc1ccccc1C=O 2230a_100000102301_100010186698 [1,0,1,0,0,0|2,0,0]=4 1940 B15R1.1045 CCCCNCCc1ccccc1C=O 7a_106832991798_100010186698 [1,0,1,0,0,0|2,0,0]=4 1941 B15R1.1045 CCCCOCCc1ccccc1C=O 34a_100000210227_100010186698 [1,0,1,0,0,0|2,0,0]=4 1942 B15R1.1045 CCCCOCCc1ccccc1C=O 7a_100000210227_100010186698 [1,0,1,0,0,0|2,0,0]=4 1943 B15R1.1045 CCCCOCNc1ccccc1CO 34a_100000212039_100011995733 [1,0,1,0,0,0|1,0,1]=4 1944 B15R1.1045 CCCCOCSc1ccccc1C=O 62a_100000210073_100011995733 [1,0,1,0,0,0|2,0,0]=4 1945 B15R1.1045 CCCCOCSc1ccccc1C=O 62a_100011995733_100000210073 [1,0,1,0,0,0|2,0,0]=4 1946 B15R1.1045 CCCCSCCc1ccccc1C=O 62a_100000210211_100010186698 [1,0,1,0,0,0|2,0,0]=4 1947 B15R1.1045 CCCCSCCc1ccccc1C=O 62a_100010186698_100000210210 [1,0,1,0,0,0|2,0,0]=4 1948 B15R1.1045 CCCOCCNc1ccccc1CO 34a_100000212039_100011215938 [1,0,1,0,0,0|1,0,1]=4 1949 B15R1.1045 CCCOCCOc1ccccc1C=O 34a_100000210258_100009990610 [1,0,1,0,0,0|2,0,0]=4 1950 B15R1.1045 CCCOCCSc1ccccc1C=O 62a_100000210073_100011215938 [1,0,1,0,0,0|2,0,0]=4 1951 B15R1.1045 CCCOCCSc1ccccc1C=O 62a_100011215938_100000210073 [1,0,1,0,0,0|2,0,0]=4 1952 B15R1.1045 CCCSCCOc1ccccc1C=O 62a_100000210303_100009990610 [1,0,1,0,0,0|2,0,0]=4 1953 B15R1.1045 CCCSCCOc1ccccc1C=O 62a_100009990610_100000210303 [1,0,1,0,0,0|2,0,0]=4 1954 B15R1.1045 CCOCCCNc1ccccc1CO 34a_100000212039_100012232248 [1,0,1,0,0,0|1,0,1]=4 1955 B15R1.1045 CCOCCCSc1ccccc1C=O 62a_100000210073_100012232248 [1,0,1,0,0,0|2,0,0]=4 1956 B15R1.1045 CCOCCCSc1ccccc1C=O 62a_100012232248_100000210073 [1,0,1,0,0,0|2,0,0]=4 1957 B15R1.1045 COCCCCNc1ccccc1CO 34a_100000212039_100000755781 [1,0,1,0,0,0|1,0,1]=4 1958 B15R1.1045 COCCCCSc1ccccc1C=O 62a_100000210073_100000730899 [1,0,1,0,0,0|2,0,0]=4 1959 B15R1.1045 COCCCCSc1ccccc1C=O 62a_100000730899_100000210073 [1,0,1,0,0,0|2,0,0]=4 1960 B15R1.1045 O=Cc1ccccc1SCCCCCF 62a_100000210073_100000729378 [1,0,1,0,0,0|2,0,0]=4 1961 B15R1.1045 O=Cc1ccccc1SCCCCCF 62a_100000729378_100000210073 [1,0,1,0,0,0|2,0,0]=4 1962 B15R1.1045 O=Cc1ccccc1SCCCCCO 62a_100000210073_100000746330 [1,0,1,0,0,0|2,0,0]=4 1963 B15R1.1045 O=Cc1ccccc1SCCCCCO 62a_100000746330_100000210073 [1,0,1,0,0,0|2,0,0]=4 1964 B15R1.1045 OCCCCCNc1ccccc1CO 34a_100000212039_100000746330 [1,0,1,0,0,0|1,0,1]=4 1965 B15R1.1045 OCc1ccccc1NCCCCCF 34a_100000212039_100000729378 [1,0,1,0,0,0|1,0,1]=4 1966 B15R1.1274 C=C(C)c1ccccc1NC(C)CCC 34a_100000037685_100000766640 [1,0,1,0,0,0|2,0,0]=4 1967 B15R1.1274 CC(CCO)Nc1ccccc1C(=O)N 34a_100000185089_100009893172 [1,0,1,0,0,0|2,0,0]=4 1968 B15R1.1274 CC(CCO)Sc1ccccc1C(=O)O 62a_100009893172_100000734275 [1,0,1,0,0,0|2,0,0]=4 1969 B15R1.1274 CC(CCO)Sc1ccccc1C(=O)O 62a_202125556159_100009893172 [1,0,1,0,0,0|2,0,0]=4 1970 B15R1.1274 CCCC(C)Nc1ccccc1C(=O)N 34a_100000185089_100000766640 [1,0,1,0,0,0|1,0,0]=3 1971 B15R1.1274 CCCC(C)Nc1ccccc1C(C)O 2230a_100011405641_100000766640 [1,0,1,0,0,0|1,0,1]=4 1972 B15R1.1274 CCCC(C)Nc1cccnc1C(=O)N 27a_100000741246_200012359670 [1,0,1,0,0,0|2,0,0]=4 1973 B15R1.1274 CCCC(C)Nc1ccncc1C(=O)C 27a_100000741246_100160469449 [1,0,1,0,0,0|2,0,0]=4 1974 B15R1.1274 CCCC(C)Nc1ccncc1C(=O)N 27a_100000741246_100000697804 [1,0,1,0,0,0|2,0,0]=4 1975 B15R1.1274 CCCC(C)Nc1ncccc1C(=O)C 27a_100000741246_100009816689 [1,0,1,0,0,0|2,0,0]=4 1976 B15R1.1274 CCCC(C)Nc1ncccc1C(=O)N 27a_100000741246_100000162199 [1,0,1,0,0,0|2,0,0]=4 1977 B15R1.1274 CCCC(C)Oc1ccccc1C(=O)N 34a_100000192804_100000766640 [1,0,1,0,0,0|2,0,0]=4 1978 B15R1.1274 CCCC(C)Oc1ccccc1C(=O)N 7a_100000192804_100000766640 [1,0,1,0,0,0|2,0,0]=4 1979 B15R1.1274 CCCC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000766640 [1,0,1,0,0,0|1,0,1]=4 1980 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)C 62a_100000751169_100000766640 [1,0,1,0,0,0|2,0,0]=4 1981 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)N 62a_100000162227_100000766640 [1,0,1,0,0,0|2,0,0]=4 1982 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)N 62a_100000766640_100000162227 [1,0,1,0,0,0|2,0,0]=4 1983 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_100000766640_100000734275 [1,0,1,0,0,0|1,0,0]=3 1984 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000766640 [1,0,1,0,0,0|1,0,0]=3 1985 B15R1.1274 COCC(C)Nc1ccccc1C(=O)N 34a_100000185089_100000765312 [1,0,1,0,0,0|2,0,0]=4 1986 B15R1.1274 COCC(C)Sc1ccccc1C(=O)O 62a_100000765312_100000734275 [1,0,1,0,0,0|2,0,0]=4 1987 B15R1.1274 COCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000765312 [1,0,1,0,0,0|2,0,0]=4 1988 B15R1.5925 C#Cc1ccccc1NC(C)CCCC 34a_100011470550_200011215066 [1,0,1,0,0,0|1,0,1]=4 1989 B15R1.5925 C=Cc1ccccc1NC(C)CCCC 34a_100012022501_200011215066 [1,0,1,0,0,0|1,0,0]=3 1990 B15R1.5925 CCCCC(C)Nc1ccccc1C#N 34a_100000211148_200011215066 [1,0,1,0,0,0|1,0,1]=4 1991 B15R1.5925 CCCCC(C)Nc1ccccc1CC 2230a_100000212081_200011215066 [1,0,1,0,0,0|1,0,1]=4 1992 B15R1.5925 CCCCC(C)Nc1ccccc1CC 34a_100000212081_200011215066 [1,0,1,0,0,0|1,0,1]=4 1993 B15R1.5925 CCCCC(C)Nc1ccccc1CC 7a_100000212081_200011215066 [1,0,1,0,0,0|1,0,1]=4 1994 B15R1.5925 CCCCC(C)Nc1ccccc1CO 34a_100000212039_200011215066 [1,0,1,0,0,0|0,0,1]=3 1995 B15R1.5925 CCCCC(C)Nc1ccccc1OC 34a_100000210025_200011215066 [1,0,1,0,0,0|2,0,0]=4 1996 B15R1.5925 CCCCC(C)Nc1ccccc1SC 34a_100000211160_200011215066 [1,0,1,0,0,0|2,0,0]=4 1997 B15R1.5925 CCCCC(C)Nc1ccncc1CO 27a_100000126638_100000117392 [1,0,1,0,0,0|1,0,1]=4 1998 B15R1.5925 CCCCC(C)Oc1ccccc1CO 34a_100011216872_200011215066 [1,0,1,0,0,0|1,0,1]=4 1999 B15R1.5925 CCCCC(C)Sc1ccccc1C=O 62a_100000210073_200011215066 [1,0,1,0,0,0|1,0,0]=3 2000 B15R1.5925 CCCCC(C)Sc1ccccc1C=O 62a_200011215066_100000210073 [1,0,1,0,0,0|1,0,0]=3 2001 B15R1.5925 CCCCC(C)Sc1ccccc1CO 62a_100000187465_200011215066 [1,0,1,0,0,0|1,0,1]=4 2002 B15R1.5925 CCCCC(C)Sc1ccccc1CO 62a_200011215066_100000187465 [1,0,1,0,0,0|1,0,1]=4 2003 B15R1.5925 CCCCC(C)Sc1cccnc1C=O 62a_100011934733_200011215066 [1,0,1,0,0,0|2,0,0]=4 2004 B15R1.5925 CCCCC(C)Sc1cccnc1C=O 62a_200011215066_100011934733 [1,0,1,0,0,0|2,0,0]=4 2005 B15R1.5925 CCCCC(C)Sc1ccncc1C=O 62a_100000050567_200011215066 [1,0,1,0,0,0|2,0,0]=4 2006 B15R1.5925 CCCCC(C)Sc1ccncc1C=O 62a_200011215066_100000050567 [1,0,1,0,0,0|2,0,0]=4 2007 B15R1.5925 CCCCC(C)Sc1cnccc1C=O 62a_100011934409_200011215066 [1,0,1,0,0,0|2,0,0]=4 2008 B15R1.5925 CCCCC(C)Sc1cnccc1C=O 62a_200011215066_100011934409 [1,0,1,0,0,0|2,0,0]=4 2009 B15R1.5925 CCCCC(C)Sc1ncccc1C=O 62a_100009816751_200011215066 [1,0,1,0,0,0|2,0,0]=4 2010 B15R1.5925 CCCCC(C)Sc1ncccc1C=O 62a_200011215066_100009816751 [1,0,1,0,0,0|2,0,0]=4 2011 B15R1.5925 CCCCN(C)Cc1ccccc1C=O 2230a_100000207549_200009853537 [1,0,1,0,0,0|2,0,0]=4 2012 B15R1.5925 CCCCN(C)Cc1ccccc1C=O 269982a_100000207549_200009853537 [1,0,1,0,0,0|2,0,0]=4 2013 B15R1.2621 CCCC(CC)Nc1ccccc1CC 7a_100000212081_100011219200 [1,0,1,0,0,0|1,0,1]=4 2014 B15R1.2621 CCCC(CC)Nc1ccncc1CO 27a_100000747048_100000117392 [1,0,1,0,0,0|1,0,1]=4 2015 B15R1.2621 CCCC(CC)Sc1ccccc1C=O 62a_100000210073_100011219200 [1,0,1,0,0,0|1,0,0]=3 2016 B15R1.2621 CCCC(CC)Sc1ccccc1C=O 62a_100011219200_100000210073 [1,0,1,0,0,0|1,0,0]=3 2017 B15R1.2621 CCCC(CC)Sc1ccccc1CO 62a_100000187465_100011219200 [1,0,1,0,0,0|1,0,1]=4 2018 B15R1.2621 CCCC(CC)Sc1ccccc1CO 62a_100011219200_100000187465 [1,0,1,0,0,0|1,0,1]=4 2019 B15R1.2621 CCCC(CC)Sc1cccnc1C=O 62a_100011219200_100011934733 [1,0,1,0,0,0|2,0,0]=4 2020 B15R1.2621 CCCC(CC)Sc1cccnc1C=O 62a_100011934733_100011219200 [1,0,1,0,0,0|2,0,0]=4 2021 B15R1.2621 CCCC(CC)Sc1ccncc1C=O 62a_100000050567_100011219200 [1,0,1,0,0,0|2,0,0]=4 2022 B15R1.2621 CCCC(CC)Sc1ccncc1C=O 62a_100011219200_100000050567 [1,0,1,0,0,0|2,0,0]=4 2023 B15R1.2621 CCCC(CC)Sc1cnccc1C=O 62a_100011219200_100011934409 [1,0,1,0,0,0|2,0,0]=4 2024 B15R1.2621 CCCC(CC)Sc1cnccc1C=O 62a_100011934409_100011219200 [1,0,1,0,0,0|2,0,0]=4 2025 B15R1.2621 CCCC(CC)Sc1ncccc1C=O 62a_100009816751_100011219200 [1,0,1,0,0,0|2,0,0]=4 2026 B15R1.2621 CCCC(CC)Sc1ncccc1C=O 62a_100011219200_100009816751 [1,0,1,0,0,0|2,0,0]=4 2027 B15R1.2621 CCCN(CC)Cc1ccccc1C=O 2230a_100000226822_200009853537 [1,0,1,0,0,0|2,0,0]=4 2028 B15R1.2621 CCCN(CC)Cc1ccccc1C=O 269982a_100000226822_200009853537 [1,0,1,0,0,0|2,0,0]=4 2029 B15R1.5720 CCC(CC)Nc1cccnc1C(=O)N 27a_100000199018_200012359670 [1,0,1,0,0,0|2,0,0]=4 2030 B15R1.5720 CCC(CC)Nc1ccncc1C(=O)C 27a_100000199018_100160469449 [1,0,1,0,0,0|2,0,0]=4 2031 B15R1.5720 CCC(CC)Nc1ccncc1C(=O)N 27a_100000199018_100000697804 [1,0,1,0,0,0|2,0,0]=4 2032 B15R1.5720 CCC(CC)Nc1ncccc1C(=O)C 27a_100000199018_100009816689 [1,0,1,0,0,0|2,0,0]=4 2033 B15R1.5720 CCC(CC)Nc1ncccc1C(=O)N 27a_100000199018_100000162199 [1,0,1,0,0,0|2,0,0]=4 2034 B15R1.5720 CCC(CC)Oc1ccccc1C(=O)N 7a_100000192804_100000210505 [1,0,1,0,0,0|2,0,0]=4 2035 B15R1.5720 CCC(CC)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000210505 [1,0,1,0,0,0|1,0,1]=4 2036 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)C 62a_100000751169_100000210505 [1,0,1,0,0,0|2,0,0]=4 2037 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)N 62a_100000162227_100000210505 [1,0,1,0,0,0|2,0,0]=4 2038 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)N 62a_100000210505_100000162227 [1,0,1,0,0,0|2,0,0]=4 2039 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)O 62a_100000210505_100000734275 [1,0,1,0,0,0|1,0,0]=3 2040 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)O 62a_202125556159_100000210505 [1,0,1,0,0,0|1,0,0]=3 2041 B15R2.38 Brc1ccccc1NC2CCCCC2 34a_100000210017_100000210327 [2,0,0,0,0,0|1,0,0]=3 2042 B15R2.38 Brc1ccccc1NC2CCCOC2 34a_100000210017_100000693364 [2,0,0,0,0,0|2,0,0]=4 2043 B15R2.38 Brc1ccccc1NC2CCSCC2 34a_100000210017_100000069128 [2,0,0,0,0,0|2,0,0]=4 2044 B15R2.38 Brc1ccccc1OC2CCCCC2 34a_100000181306_100000210327 [2,0,0,0,0,0|2,0,0]=4 2045 B15R2.38 Brc1ccccc1OC2CCCCC2 7a_100000181306_100000210327 [2,0,0,0,0,0|2,0,0]=4 2046 B15R2.38 Brc1ccccc1SC2CCCCC2 62a_100000210327_100000695589 [2,0,0,0,0,0|2,0,0]=4 2047 B15R2.38 Brc1ccccc1SC2CCCCC2 62a_100000695589_100000210327 [2,0,0,0,0,0|2,0,0]=4 2048 B15R2.38 Brc1cccnc1NC2CCCCC2 27a_100000182618_100000696092 [2,0,0,0,0,0|2,0,0]=4 2049 B15R2.38 Brc1cnccc1NC2CCCCC2 27a_100000182618_100000726257 [2,0,0,0,0,0|2,0,0]=4 2050 B15R2.38 Cc1ccccc1NC2CCCCC2 34a_100015192222_100000210327 [2,0,0,0,0,0|0,0,1]=3 2051 B15R2.38 Cc1ccccc1NC2CCCOC2 34a_100015192222_100000693364 [2,0,0,0,0,0|1,0,1]=4 2052 B15R2.38 Cc1ccccc1NC2CCSCC2 34a_100015192222_100000069128 [2,0,0,0,0,0|1,0,1]=4 2053 B15R2.38 Cc1ccccc1OC2CCCCC2 34a_100000210338_100000210327 [2,0,0,0,0,0|1,0,1]=4 2054 B15R2.38 Cc1ccccc1OC2CCCCC2 7a_100000210338_100000210327 [2,0,0,0,0,0|1,0,1]=4 2055 B15R2.38 Cc1ccccc1SC2CCCCC2 62a_100000210327_100000210755 [2,0,0,0,0,0|1,0,1]=4 2056 B15R2.38 Cc1ccccc1SC2CCCCC2 62a_100000210755_100000210327 [2,0,0,0,0,0|1,0,1]=4 2057 B15R2.38 Cc1cnccc1NC2CCCCC2 27a_100000182618_100000765111 [2,0,0,0,0,0|1,0,1]=4 2058 B15R2.38 Clc1ccccc1NC2CCCCC2 34a_100000185783_100000210327 [2,0,0,0,0,0|1,0,0]=3 2059 B15R2.38 Clc1ccccc1NC2CCCOC2 34a_100000185783_100000693364 [2,0,0,0,0,0|2,0,0]=4 2060 B15R2.38 Clc1ccccc1NC2CCSCC2 34a_100000185783_100000069128 [2,0,0,0,0,0|2,0,0]=4 2061 B15R2.38 Clc1ccccc1OC2CCCCC2 34a_100000210172_100000210327 [2,0,0,0,0,0|2,0,0]=4 2062 B15R2.38 Clc1ccccc1OC2CCCCC2 7a_100000210172_100000210327 [2,0,0,0,0,0|2,0,0]=4 2063 B15R2.38 Clc1ccccc1SC2CCCCC2 62a_100000210327_100000764095 [2,0,0,0,0,0|2,0,0]=4 2064 B15R2.38 Clc1ccccc1SC2CCCCC2 62a_100000764095_100000210327 [2,0,0,0,0,0|2,0,0]=4 2065 B15R2.38 Fc1ccccc1NC2CCCCC2 34a_100000210422_100000210327 [2,0,0,0,0,0|1,0,0]=3 2066 B15R2.38 Fc1ccccc1NC2CCCOC2 34a_100000210422_100000693364 [2,0,0,0,0,0|2,0,0]=4 2067 B15R2.38 Fc1ccccc1NC2CCSCC2 34a_100000210422_100000069128 [2,0,0,0,0,0|2,0,0]=4 2068 B15R2.38 Fc1ccccc1OC2CCCCC2 34a_100000210171_100000210327 [2,0,0,0,0,0|2,0,0]=4 2069 B15R2.38 Fc1ccccc1OC2CCCCC2 7a_100000210171_100000210327 [2,0,0,0,0,0|2,0,0]=4 2070 B15R2.38 Fc1ccccc1SC2CCCCC2 62a_100000210327_100011215700 [2,0,0,0,0,0|2,0,0]=4 2071 B15R2.38 Fc1ccccc1SC2CCCCC2 62a_100011215700_100000210327 [2,0,0,0,0,0|2,0,0]=4 2072 B15R2.38 Fc1cnccc1NC2CCCCC2 27a_100000182618_100000035921 [2,0,0,0,0,0|2,0,0]=4 2073 B15R2.38 Ic1ccccc1NC2CCCCC2 34a_100000210053_100000210327 [2,0,0,0,0,0|1,0,0]=3 2074 B15R2.38 Ic1ccccc1NC2CCCOC2 34a_100000210053_100000693364 [2,0,0,0,0,0|2,0,0]=4 2075 B15R2.38 Ic1ccccc1NC2CCSCC2 34a_100000210053_100000069128 [2,0,0,0,0,0|2,0,0]=4 2076 B15R2.38 Ic1ccccc1OC2CCCCC2 34a_100000739446_100000210327 [2,0,0,0,0,0|2,0,0]=4 2077 B15R2.38 Ic1ccccc1OC2CCCCC2 7a_100000739446_100000210327 [2,0,0,0,0,0|2,0,0]=4 2078 B15R2.38 Nc1ccccc1OC2CCCCC2 34a_100000185747_100000210327 [2,0,0,0,0,0|2,0,0]=4 2079 B15R2.38 Nc1ccccc1OC2CCCCC2 7a_100000185747_100000210327 [2,0,0,0,0,0|2,0,0]=4 2080 B15R2.38 Nc1ccccc1SC2CCCCC2 62a_100000210017_100000210327 [2,0,0,0,0,0|2,0,0]=4 2081 B15R2.38 Nc1ccccc1SC2CCCCC2 62a_100000210327_100000210017 [2,0,0,0,0,0|2,0,0]=4 2082 B15R2.38 O=c1[nH]nccc1NC2CCCCC2 27a_100000182618_100000087129 [2,0,0,0,0,0|2,0,0]=4 2083 B15R2.38 O=c1cc[nH]cc1SC2CCCCC2 62a_100000210327_100009998708 [2,0,0,0,0,0|2,0,0]=4 2084 B15R2.38 O=c1cc[nH]cc1SC2CCCCC2 62a_100009998708_100000210327 [2,0,0,0,0,0|2,0,0]=4 2085 B15R2.38 O=c1ccocc1OC2CCCCC2 34a_100000060831_100000210327 [2,0,0,0,0,0|2,0,0]=4 2086 B15R2.38 O=c1occcc1OC2CCCCC2 34a_100000077404_100000210327 [2,0,0,0,0,0|2,0,0]=4 2087 B15R2.38 O=c1occcc1OC2CCCCC2 7a_100000077404_100000210327 [2,0,0,0,0,0|2,0,0]=4 2088 B15R2.38 Oc1ccccc1CN2CCCCC2 271570a_203496583355_100000174427 [2,0,0,0,0,0|2,0,0]=4 2089 B15R2.38 Oc1ccccc1NC2CCCCC2 34a_100000185747_100000210327 [2,0,0,0,0,0|0,0,0]=2 2090 B15R2.38 Oc1ccccc1NC2CCCOC2 34a_100000185747_100000693364 [2,0,0,0,0,0|1,0,0]=3 2091 B15R2.38 Oc1ccccc1NC2CCSCC2 34a_100000185747_100000069128 [2,0,0,0,0,0|1,0,0]=3 2092 B15R2.38 Oc1ccccc1OC2CCCCC2 271570a_203496583355_200011235867 [2,0,0,0,0,0|1,0,0]=3 2093 B15R2.38 Oc1ccccc1SC2CCCCC2 62a_100000210327_100000739446 [2,0,0,0,0,0|1,0,0]=3 2094 B15R2.38 Oc1ccccc1SC2CCCCC2 62a_100000739446_100000210327 [2,0,0,0,0,0|1,0,0]=3 2095 B15R2.38 Oc1ccccc1SC2CCCOC2 62a_100000739446_100000693364 [2,0,0,0,0,0|2,0,0]=4 2096 B15R2.38 Oc1ccccc1SC2CCOCC2 62a_100000739446_100011324220 [2,0,0,0,0,0|2,0,0]=4 2097 B15R2.38 Oc1ccccc1SC2CCSCC2 62a_100000739446_100000069128 [2,0,0,0,0,0|2,0,0]=4 2098 B15R2.38 Oc1cccnc1SC2CCCCC2 62a_100000034122_100000210327 [2,0,0,0,0,0|2,0,0]=4 2099 B15R2.38 Oc1cccnc1SC2CCCCC2 62a_100000210327_100000034122 [2,0,0,0,0,0|2,0,0]=4 2100 B15R2.38 Oc1cnccc1SC2CCCCC2 62a_100000210327_100009817591 [2,0,0,0,0,0|2,0,0]=4 2101 B15R2.38 Oc1cnccc1SC2CCCCC2 62a_100009817591_100000210327 [2,0,0,0,0,0|2,0,0]=4 2102 B15R2.38 Oc1ncccc1SC2CCCCC2 62a_100000210327_100000760158 [2,0,0,0,0,0|2,0,0]=4 2103 B15R2.38 Oc1ncccc1SC2CCCCC2 62a_100000760158_100000210327 [2,0,0,0,0,0|2,0,0]=4 2104 B17R1.1457 C=C(C)c1cc(ccc1NCCCCCC)F 34a_100009961556_100000210314 [0,1,1,0,0,0|2,0,0]=4 2105 B17R1.1457 CCCCCCNc1ccc(cc1C(=O)N)Br 27a_100000210581_200000162314 [0,1,1,0,0,0|1,0,0]=3 2106 B17R1.1457 CCCCCCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100000210314 [0,1,1,0,0,0|1,0,0]=3 2107 B17R1.1457 CCCCCCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100000210314 [0,1,1,0,0,0|1,0,0]=3 2108 B17R1.1457 CCCCCCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000210314 [0,1,1,0,0,0|1,0,0]=3 2109 B17R1.1457 CCCCCCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000210314 [0,1,1,0,0,0|1,0,0]=3 2110 B17R1.1457 CCCCCCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000210314 [0,1,1,0,0,0|1,0,0]=3 2111 B17R1.1457 CCCCCCNc1ccc(cc1C(=O)N)F 34a_100000741173_100000210314 [0,1,1,0,0,0|1,0,0]=3 2112 B17R1.1457 CCCCCCNc1ccc(cc1C(=O)N)F 7a_100000741173_100000210314 [0,1,1,0,0,0|1,0,0]=3 2113 B17R1.1457 CCCCCCNc1ccc(cc1[N+](=O)[O-])F 34a_100000187532_100000210314 [0,1,1,0,0,0|1,0,1]=4 2114 B17R1.1457 CCCCCCNc1ncc(cc1C(=O)N)F 27a_100000210581_100012183597 [0,1,1,0,0,0|2,0,0]=4 2115 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210314 [0,1,1,0,0,0|2,0,0]=4 2116 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210314 [0,1,1,0,0,0|2,0,0]=4 2117 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210314 [0,1,1,0,0,0|2,0,0]=4 2118 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210314 [0,1,1,0,0,0|2,0,0]=4 2119 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210314 [0,1,1,0,0,0|2,0,0]=4 2120 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210314 [0,1,1,0,0,0|2,0,0]=4 2121 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210314 [0,1,1,0,0,0|2,0,0]=4 2122 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210314 [0,1,1,0,0,0|2,0,0]=4 2123 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210314 [0,1,1,0,0,0|2,0,0]=4 2124 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210314 [0,1,1,0,0,0|2,0,0]=4 2125 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210314 [0,1,1,0,0,0|2,0,0]=4 2126 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210314 [0,1,1,0,0,0|2,0,0]=4 2127 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210314 [0,1,1,0,0,0|2,0,0]=4 2128 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210314 [0,1,1,0,0,0|2,0,0]=4 2129 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210314 [0,1,1,0,0,0|2,0,0]=4 2130 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)F 34a_100012186459_100000210314 [0,1,1,0,0,0|2,0,0]=4 2131 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)F 7a_100012186459_100000210314 [0,1,1,0,0,0|2,0,0]=4 2132 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)I 34a_100000192813_100000210314 [0,1,1,0,0,0|2,0,0]=4 2133 B17R1.1457 CCCCCCOc1ccc(cc1C(=O)N)I 7a_100000192813_100000210314 [0,1,1,0,0,0|2,0,0]=4 2134 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)C)C 62a_100000210314_100012361225 [0,1,1,0,0,0|2,0,0]=4 2135 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000210757 [0,1,1,0,0,0|2,0,0]=4 2136 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)C)F 62a_100000210314_100010200798 [0,1,1,0,0,0|2,0,0]=4 2137 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000210757 [0,1,1,0,0,0|2,0,0]=4 2138 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210757 [0,1,1,0,0,0|2,0,0]=4 2139 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210757 [0,1,1,0,0,0|2,0,0]=4 2140 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)N)C 62a_100000210314_200012349609 [0,1,1,0,0,0|2,0,0]=4 2141 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000210757 [0,1,1,0,0,0|2,0,0]=4 2142 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000210757 [0,1,1,0,0,0|2,0,0]=4 2143 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)N)F 62a_100000210314_100000206434 [0,1,1,0,0,0|2,0,0]=4 2144 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210757 [0,1,1,0,0,0|2,0,0]=4 2145 B17R1.1457 CCCCCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210757 [0,1,1,0,0,0|1,0,0]=3 2146 B17R1.1457 CCCCOCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100011995733 [0,1,1,0,0,0|2,0,0]=4 2147 B17R1.1457 CCCCOCNc1ccc(cc1C(=O)N)C 34a_100011692829_100011995733 [0,1,1,0,0,0|2,0,0]=4 2148 B17R1.1457 CCCCOCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100011995733 [0,1,1,0,0,0|2,0,0]=4 2149 B17R1.1457 CCCCOCNc1ccc(cc1C(=O)N)F 34a_100000741173_100011995733 [0,1,1,0,0,0|2,0,0]=4 2150 B17R1.1457 CCCCOCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100011995733 [0,1,1,0,0,0|2,0,0]=4 2151 B17R1.1457 CCCOCCNc1ccc(cc1C(=O)N)Br 27a_100161115042_200000162314 [0,1,1,0,0,0|2,0,0]=4 2152 B17R1.1457 CCCOCCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100011215938 [0,1,1,0,0,0|2,0,0]=4 2153 B17R1.1457 CCCOCCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100011215938 [0,1,1,0,0,0|2,0,0]=4 2154 B17R1.1457 CCCOCCNc1ccc(cc1C(=O)N)C 34a_100011692829_100011215938 [0,1,1,0,0,0|2,0,0]=4 2155 B17R1.1457 CCCOCCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100011215938 [0,1,1,0,0,0|2,0,0]=4 2156 B17R1.1457 CCCOCCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100011215938 [0,1,1,0,0,0|2,0,0]=4 2157 B17R1.1457 CCCOCCNc1ccc(cc1C(=O)N)F 34a_100000741173_100011215938 [0,1,1,0,0,0|2,0,0]=4 2158 B17R1.1457 CCCOCCNc1ccc(cc1C(=O)N)F 7a_100000741173_100011215938 [0,1,1,0,0,0|2,0,0]=4 2159 B17R1.1457 CCCOCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100011215938 [0,1,1,0,0,0|2,0,0]=4 2160 B17R1.1457 CCCSCCNc1ccc(cc1C(=O)N)Br 27a_100020603323_200000162314 [0,1,1,0,0,0|2,0,0]=4 2161 B17R1.1457 CCOCCCNc1ccc(cc1C(=O)N)Br 27a_100000210961_200000162314 [0,1,1,0,0,0|2,0,0]=4 2162 B17R1.1457 CCOCCCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100012232248 [0,1,1,0,0,0|2,0,0]=4 2163 B17R1.1457 CCOCCCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100012232248 [0,1,1,0,0,0|2,0,0]=4 2164 B17R1.1457 CCOCCCNc1ccc(cc1C(=O)N)C 34a_100011692829_100012232248 [0,1,1,0,0,0|2,0,0]=4 2165 B17R1.1457 CCOCCCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100012232248 [0,1,1,0,0,0|2,0,0]=4 2166 B17R1.1457 CCOCCCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100012232248 [0,1,1,0,0,0|2,0,0]=4 2167 B17R1.1457 CCOCCCNc1ccc(cc1C(=O)N)F 34a_100000741173_100012232248 [0,1,1,0,0,0|2,0,0]=4 2168 B17R1.1457 CCOCCCNc1ccc(cc1C(=O)N)F 7a_100000741173_100012232248 [0,1,1,0,0,0|2,0,0]=4 2169 B17R1.1457 CCOCCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100012232248 [0,1,1,0,0,0|2,0,0]=4 2170 B17R1.1457 COCCCCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100000755781 [0,1,1,0,0,0|2,0,0]=4 2171 B17R1.1457 COCCCCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100000730899 [0,1,1,0,0,0|2,0,0]=4 2172 B17R1.1457 COCCCCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000755781 [0,1,1,0,0,0|2,0,0]=4 2173 B17R1.1457 COCCCCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000755781 [0,1,1,0,0,0|2,0,0]=4 2174 B17R1.1457 COCCCCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000730899 [0,1,1,0,0,0|2,0,0]=4 2175 B17R1.1457 COCCCCNc1ccc(cc1C(=O)N)F 34a_100000741173_100000755781 [0,1,1,0,0,0|2,0,0]=4 2176 B17R1.1457 COCCCCNc1ccc(cc1C(=O)N)F 7a_100000741173_100000730899 [0,1,1,0,0,0|2,0,0]=4 2177 B17R1.1457 COCCCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000730899 [0,1,1,0,0,0|2,0,0]=4 2178 B17R1.1457 Cc1ccc(c(c1)C(=O)N)NCCCCCF 34a_100011692829_100000729378 [0,1,1,0,0,0|2,0,0]=4 2179 B17R1.1457 Cc1ccc(c(c1)C(=O)N)NCCCCCO 34a_100011692829_100000746330 [0,1,1,0,0,0|2,0,0]=4 2180 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCF)Br 34a_100000740421_100000729378 [0,1,1,0,0,0|2,0,0]=4 2181 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCF)Br 7a_100000740421_100000729378 [0,1,1,0,0,0|2,0,0]=4 2182 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCF)Cl 34a_100000743835_100000729378 [0,1,1,0,0,0|2,0,0]=4 2183 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCF)Cl 7a_100000743835_100000729378 [0,1,1,0,0,0|2,0,0]=4 2184 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCF)F 34a_100000741173_100000729378 [0,1,1,0,0,0|2,0,0]=4 2185 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCF)F 7a_100000741173_100000729378 [0,1,1,0,0,0|2,0,0]=4 2186 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCO)Br 27a_100000762737_200000162314 [0,1,1,0,0,0|2,0,0]=4 2187 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCO)Br 34a_100000740421_100000746330 [0,1,1,0,0,0|2,0,0]=4 2188 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCO)Br 7a_100000740421_100000746330 [0,1,1,0,0,0|2,0,0]=4 2189 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCO)Cl 34a_100000743835_100000746330 [0,1,1,0,0,0|2,0,0]=4 2190 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCO)Cl 7a_100000743835_100000746330 [0,1,1,0,0,0|2,0,0]=4 2191 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCO)F 34a_100000741173_100000746330 [0,1,1,0,0,0|2,0,0]=4 2192 B17R1.1457 NC(=O)c1cc(ccc1NCCCCCO)F 7a_100000741173_100000746330 [0,1,1,0,0,0|2,0,0]=4 2193 B17R1.1457 O=C(O)c1cc(ccc1SCCCCCF)Br 62a_100011072988_100000729378 [0,1,1,0,0,0|2,0,0]=4 2194 B17R1.1457 O=C(O)c1cc(ccc1SCCCCCO)Br 62a_100011072988_100000746330 [0,1,1,0,0,0|2,0,0]=4 2195 B17R1.4132 CC(=O)c1ccc(cc1NCCCCCO)F 27a_100000762737_100000686192 [0,1,1,0,0,0|2,0,0]=4 2196 B17R1.4132 CCCCCCNc1cc(ccc1C(=O)C)F 27a_100000210581_100000686192 [0,1,1,0,0,0|1,0,0]=3 2197 B17R1.4132 CCCCCCNc1cc(ccc1C(=O)N)Br 27a_100000210581_100009815748 [0,1,1,0,0,0|1,0,0]=3 2198 B17R1.4132 CCCCCCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100000210314 [0,1,1,0,0,0|1,0,0]=3 2199 B17R1.4132 CCCCCCNc1cc(ccc1C(=O)N)C 34a_100011219537_100000210314 [0,1,1,0,0,0|1,0,0]=3 2200 B17R1.4132 CCCCCCNc1cc(ccc1C(=O)N)C 7a_100011219537_100000210314 [0,1,1,0,0,0|1,0,0]=3 2201 B17R1.4132 CCCCCCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000210314 [0,1,1,0,0,0|1,0,0]=3 2202 B17R1.4132 CCCCCCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000210314 [0,1,1,0,0,0|1,0,0]=3 2203 B17R1.4132 CCCCCCNc1cc(ccc1C(=O)N)F 27a_100000210581_100000206404 [0,1,1,0,0,0|1,0,0]=3 2204 B17R1.4132 CCCCCCNc1cc(ccc1C(=O)N)F 34a_100011298637_100000210314 [0,1,1,0,0,0|1,0,0]=3 2205 B17R1.4132 CCCCCCNc1cc(ccc1[N+](=O)[O-])F 34a_100000746377_100000210314 [0,1,1,0,0,0|1,0,1]=4 2206 B17R1.4132 CCCCCCNc1nc(ccc1C(=O)N)C 27a_100000210581_100000041523 [0,1,1,0,0,0|2,0,0]=4 2207 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000210314 [0,1,1,0,0,0|2,0,0]=4 2208 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000210314 [0,1,1,0,0,0|2,0,0]=4 2209 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000210314 [0,1,1,0,0,0|2,0,0]=4 2210 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000210314 [0,1,1,0,0,0|2,0,0]=4 2211 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000210314 [0,1,1,0,0,0|2,0,0]=4 2212 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000210314 [0,1,1,0,0,0|2,0,0]=4 2213 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210314 [0,1,1,0,0,0|2,0,0]=4 2214 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210314 [0,1,1,0,0,0|2,0,0]=4 2215 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)N)C 34a_100000192831_100000210314 [0,1,1,0,0,0|2,0,0]=4 2216 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)N)C 7a_100000192831_100000210314 [0,1,1,0,0,0|2,0,0]=4 2217 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210314 [0,1,1,0,0,0|2,0,0]=4 2218 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210314 [0,1,1,0,0,0|2,0,0]=4 2219 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)N)N 34a_100000223280_100000210314 [0,1,1,0,0,0|2,0,0]=4 2220 B17R1.4132 CCCCCCOc1cc(ccc1C(=O)N)N 7a_100000223280_100000210314 [0,1,1,0,0,0|2,0,0]=4 2221 B17R1.4132 CCCCCCSc1cc(ccc1C(=O)C)C 62a_100000210314_100012353930 [0,1,1,0,0,0|2,0,0]=4 2222 B17R1.4132 CCCCCCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000210757 [0,1,1,0,0,0|2,0,0]=4 2223 B17R1.4132 CCCCCCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000210757 [0,1,1,0,0,0|2,0,0]=4 2224 B17R1.4132 CCCCCCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000210757 [0,1,1,0,0,0|2,0,0]=4 2225 B17R1.4132 CCCCCCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210757 [0,1,1,0,0,0|2,0,0]=4 2226 B17R1.4132 CCCCCCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000210757 [0,1,1,0,0,0|2,0,0]=4 2227 B17R1.4132 CCCCCCSc1cc(ccc1C(=O)N)F 62a_100000210314_100000206404 [0,1,1,0,0,0|2,0,0]=4 2228 B17R1.4132 CCCCOCNc1cc(ccc1C(=O)N)C 34a_100011219537_100011995733 [0,1,1,0,0,0|2,0,0]=4 2229 B17R1.4132 CCCCOCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100011995733 [0,1,1,0,0,0|2,0,0]=4 2230 B17R1.4132 CCCCOCNc1cc(ccc1C(=O)N)F 34a_100011298637_100011995733 [0,1,1,0,0,0|2,0,0]=4 2231 B17R1.4132 CCCOCCNc1cc(ccc1C(=O)C)F 27a_100161115042_100000686192 [0,1,1,0,0,0|2,0,0]=4 2232 B17R1.4132 CCCOCCNc1cc(ccc1C(=O)N)Br 27a_100161115042_100009815748 [0,1,1,0,0,0|2,0,0]=4 2233 B17R1.4132 CCCOCCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100011215938 [0,1,1,0,0,0|2,0,0]=4 2234 B17R1.4132 CCCOCCNc1cc(ccc1C(=O)N)C 34a_100011219537_100011215938 [0,1,1,0,0,0|2,0,0]=4 2235 B17R1.4132 CCCOCCNc1cc(ccc1C(=O)N)C 7a_100011219537_100011215938 [0,1,1,0,0,0|2,0,0]=4 2236 B17R1.4132 CCCOCCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100011215938 [0,1,1,0,0,0|2,0,0]=4 2237 B17R1.4132 CCCOCCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100011215938 [0,1,1,0,0,0|2,0,0]=4 2238 B17R1.4132 CCCOCCNc1cc(ccc1C(=O)N)F 27a_100161115042_100000206404 [0,1,1,0,0,0|2,0,0]=4 2239 B17R1.4132 CCCOCCNc1cc(ccc1C(=O)N)F 34a_100011298637_100011215938 [0,1,1,0,0,0|2,0,0]=4 2240 B17R1.4132 CCCSCCNc1cc(ccc1C(=O)C)F 27a_100020603323_100000686192 [0,1,1,0,0,0|2,0,0]=4 2241 B17R1.4132 CCCSCCNc1cc(ccc1C(=O)N)Br 27a_100020603323_100009815748 [0,1,1,0,0,0|2,0,0]=4 2242 B17R1.4132 CCCSCCNc1cc(ccc1C(=O)N)F 27a_100020603323_100000206404 [0,1,1,0,0,0|2,0,0]=4 2243 B17R1.4132 CCOCCCNc1cc(ccc1C(=O)C)F 27a_100000210961_100000686192 [0,1,1,0,0,0|2,0,0]=4 2244 B17R1.4132 CCOCCCNc1cc(ccc1C(=O)N)Br 27a_100000210961_100009815748 [0,1,1,0,0,0|2,0,0]=4 2245 B17R1.4132 CCOCCCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100012232248 [0,1,1,0,0,0|2,0,0]=4 2246 B17R1.4132 CCOCCCNc1cc(ccc1C(=O)N)C 34a_100011219537_100012232248 [0,1,1,0,0,0|2,0,0]=4 2247 B17R1.4132 CCOCCCNc1cc(ccc1C(=O)N)C 7a_100011219537_100012232248 [0,1,1,0,0,0|2,0,0]=4 2248 B17R1.4132 CCOCCCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100012232248 [0,1,1,0,0,0|2,0,0]=4 2249 B17R1.4132 CCOCCCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100012232248 [0,1,1,0,0,0|2,0,0]=4 2250 B17R1.4132 CCOCCCNc1cc(ccc1C(=O)N)F 27a_100000210961_100000206404 [0,1,1,0,0,0|2,0,0]=4 2251 B17R1.4132 CCOCCCNc1cc(ccc1C(=O)N)F 34a_100011298637_100012232248 [0,1,1,0,0,0|2,0,0]=4 2252 B17R1.4132 COCCCCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100000730899 [0,1,1,0,0,0|2,0,0]=4 2253 B17R1.4132 COCCCCNc1cc(ccc1C(=O)N)C 34a_100011219537_100000755781 [0,1,1,0,0,0|2,0,0]=4 2254 B17R1.4132 COCCCCNc1cc(ccc1C(=O)N)C 7a_100011219537_100000730899 [0,1,1,0,0,0|2,0,0]=4 2255 B17R1.4132 COCCCCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000755781 [0,1,1,0,0,0|2,0,0]=4 2256 B17R1.4132 COCCCCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000730899 [0,1,1,0,0,0|2,0,0]=4 2257 B17R1.4132 COCCCCNc1cc(ccc1C(=O)N)F 34a_100011298637_100000755781 [0,1,1,0,0,0|2,0,0]=4 2258 B17R1.4132 Cc1ccc(c(c1)NCCCCCF)C(=O)N 34a_100011219537_100000729378 [0,1,1,0,0,0|2,0,0]=4 2259 B17R1.4132 Cc1ccc(c(c1)NCCCCCF)C(=O)N 7a_100011219537_100000729378 [0,1,1,0,0,0|2,0,0]=4 2260 B17R1.4132 Cc1ccc(c(c1)NCCCCCO)C(=O)N 34a_100011219537_100000746330 [0,1,1,0,0,0|2,0,0]=4 2261 B17R1.4132 Cc1ccc(c(c1)NCCCCCO)C(=O)N 7a_100011219537_100000746330 [0,1,1,0,0,0|2,0,0]=4 2262 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCF)Br 7a_100012349972_100000729378 [0,1,1,0,0,0|2,0,0]=4 2263 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCF)Cl 34a_100000738103_100000729378 [0,1,1,0,0,0|2,0,0]=4 2264 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCF)Cl 7a_100000738103_100000729378 [0,1,1,0,0,0|2,0,0]=4 2265 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCF)F 34a_100011298637_100000729378 [0,1,1,0,0,0|2,0,0]=4 2266 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCO)Br 27a_100000762737_100009815748 [0,1,1,0,0,0|2,0,0]=4 2267 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCO)Br 7a_100012349972_100000746330 [0,1,1,0,0,0|2,0,0]=4 2268 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCO)Cl 34a_100000738103_100000746330 [0,1,1,0,0,0|2,0,0]=4 2269 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCO)Cl 7a_100000738103_100000746330 [0,1,1,0,0,0|2,0,0]=4 2270 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCO)F 27a_100000762737_100000206404 [0,1,1,0,0,0|2,0,0]=4 2271 B17R1.4132 NC(=O)c1ccc(cc1NCCCCCO)F 34a_100011298637_100000746330 [0,1,1,0,0,0|2,0,0]=4 2272 B17R1.4156 CCCCCCNc1ccccc1C(C)(C)O 34a_100000081495_100000210314 [0,1,1,0,0,0|1,0,1]=4 2273 B17R1.4156 CCCCCCNc1ccccc1C(C)(C)O 7a_100000081495_100000210314 [0,1,1,0,0,0|1,0,1]=4 2274 B17R1.4156 CCCCCCNc1ccccc1P(=O)(C)C 2230a_100010749338_100000210314 [0,1,1,0,0,0|2,0,0]=4 2275 B17R1.4156 CCCCCCNc1ccccc1P(=O)(C)C 34a_100010749338_100000210314 [0,1,1,0,0,0|2,0,0]=4 2276 B17R1.4156 CCCCCCNc1ccccc1S(=O)(=O)C 34a_100000241000_100000210314 [0,1,1,0,0,0|1,0,1]=4 2277 B17R1.4156 CCCCCCNc1ccccc1S(=O)(=O)C 7a_100000241000_100000210314 [0,1,1,0,0,0|1,0,1]=4 2278 B17R1.4156 CCCCCCNc1ccccc1S(=O)(=O)N 34a_100011204920_100000210314 [0,1,1,0,0,0|1,0,1]=4 2279 B17R1.4157 CCCCCC=Cc1ccccc1C(=O)OC 271570a_100000062253_100000148710 [0,1,1,0,0,0|1,0,1]=4 2280 B17R1.4157 CCCCCCNc1ccccc1C(=O)NC 27a_100000210581_100000155073 [0,1,1,0,0,0|1,0,0]=3 2281 B17R1.4157 CCCCCCNc1ccccc1C(=O)NC 34a_100000185696_100000210314 [0,1,1,0,0,0|1,0,0]=3 2282 B17R1.4157 CCCCCCNc1ncccc1C(=O)NC 27a_100000210581_100000159833 [0,1,1,0,0,0|2,0,0]=4 2283 B17R1.4157 CCCCCCNc1ncccc1C(=O)OC 27a_100000210581_100000150852 [0,1,1,0,0,0|1,0,0]=3 2284 B17R1.4157 CCCCCCNc1nccnc1C(=O)OC 27a_100000210581_100000079898 [0,1,1,0,0,0|2,0,0]=4 2285 B17R1.4157 CCCCCCNc1ncncc1C(=O)OC 27a_100000210581_100000726419 [0,1,1,0,0,0|2,0,0]=4 2286 B17R1.4157 CCCCCCOc1ccccc1C(=NO)C 34a_100000164216_100000210314 [0,1,1,0,0,0|2,0,0]=4 2287 B17R1.4157 CCCCCCOc1ccccc1C(=O)CBr 7a_100000188908_100000210314 [0,1,1,0,0,0|2,0,0]=4 2288 B17R1.4157 CCCCCCOc1ccccc1C(=O)CC 7a_100000184720_100000210314 [0,1,1,0,0,0|2,0,0]=4 2289 B17R1.4157 CCCCCCOc1ccccc1C(=O)NC 34a_100000185920_100000210314 [0,1,1,0,0,0|2,0,0]=4 2290 B17R1.4157 CCCCCCOc1ccccc1C(=O)NC 7a_100000185920_100000210314 [0,1,1,0,0,0|2,0,0]=4 2291 B17R1.4157 CCCCCCOc1ccccc1C(=O)NN 34a_100000186518_100000210314 [0,1,1,0,0,0|2,0,0]=4 2292 B17R1.4157 CCCCCCOc1ccccc1C(=O)NO 34a_100000188472_100000210314 [0,1,1,0,0,0|1,0,0]=3 2293 B17R1.4157 CCCCCCOc1ccccc1C(=O)OC 7a_100000150335_100000210314 [0,1,1,0,0,0|1,0,0]=3 2294 B17R1.4157 CCCCCCOc1cccnc1C(=O)OC 34a_100000744052_100000210314 [0,1,1,0,0,0|2,0,0]=4 2295 B17R1.4157 CCCCCCOc1cccnc1C(=O)OC 7a_100000744052_100000210314 [0,1,1,0,0,0|2,0,0]=4 2296 B17R1.4157 CCCCCCSc1ccccc1C(=O)NC 62a_100000155073_100000210757 [0,1,1,0,0,0|2,0,0]=4 2297 B17R1.4157 CCCCCCSc1ccccc1C(=O)NC 62a_100000210314_100000155073 [0,1,1,0,0,0|2,0,0]=4 2298 B17R1.4157 CCCCCCSc1ccccc1C(=O)NN 62a_100000190081_100000210757 [0,1,1,0,0,0|2,0,0]=4 2299 B17R1.4157 CCCCCCSc1ccccc1C(=O)NN 62a_100000210314_100000190081 [0,1,1,0,0,0|2,0,0]=4 2300 B17R1.4157 CCCCCCSc1ccccc1C(=O)OC 62a_100000148710_100000210757 [0,1,1,0,0,0|1,0,0]=3 2301 B17R1.4157 CCCCCCSc1ccccc1C(=O)OC 62a_100000210314_100000148710 [0,1,1,0,0,0|1,0,0]=3 2302 B17R1.4157 CCCCCCSc1ccccc1C(=O)O[Na] 62a_100000210314_114855342371 [0,1,1,0,0,0|1,0,0]=3 2303 B17R1.4157 CCCCCCSc1cccnc1C(=O)OC 62a_100000210314_100011935214 [0,1,1,0,0,0|2,0,0]=4 2304 B17R1.4157 CCCCCCSc1cccnc1C(=O)OC 62a_100011935214_100000210757 [0,1,1,0,0,0|2,0,0]=4 2305 B17R1.4157 CCCCCCSc1ccncc1C(=O)OC 62a_100000210314_100020629055 [0,1,1,0,0,0|2,0,0]=4 2306 B17R1.4157 CCCCCCSc1ccncc1C(=O)OC 62a_100020629055_100000210757 [0,1,1,0,0,0|2,0,0]=4 2307 B17R1.4157 CCCCCCSc1cnccc1C(=O)OC 62a_100000210314_100010008606 [0,1,1,0,0,0|2,0,0]=4 2308 B17R1.4157 CCCCCCSc1cnccc1C(=O)OC 62a_100010008606_100000210757 [0,1,1,0,0,0|2,0,0]=4 2309 B17R1.4157 CCCCCCSc1ncccc1C(=O)OC 62a_100000210314_100000150852 [0,1,1,0,0,0|2,0,0]=4 2310 B17R1.4157 CCCCCCSc1ncccc1C(=O)OC 62a_100011587185_100000210757 [0,1,1,0,0,0|2,0,0]=4 2311 B17R1.4157 CCCCCNCc1ccccc1C(=O)OC 2230a_100000209983_100000744672 [0,1,1,0,0,0|2,0,0]=4 2312 B17R1.4157 CCCCCOCc1ccccc1C(=O)OC 34a_100000210253_100000744672 [0,1,1,0,0,0|2,0,0]=4 2313 B17R1.4157 CCCCCOCc1ccccc1C(=O)OC 7a_100000210253_100000744672 [0,1,1,0,0,0|2,0,0]=4 2314 B17R1.4157 CCCCCSCc1ccccc1C(=O)OC 62a_100000210326_100000744672 [0,1,1,0,0,0|2,0,0]=4 2315 B17R1.4157 CCCCCSCc1ccccc1C(=O)OC 62a_100000744672_100000210326 [0,1,1,0,0,0|2,0,0]=4 2316 B17R1.4157 CCCCNCCc1ccccc1C(=O)OC 2230a_100000102301_200010284099 [0,1,1,0,0,0|2,0,0]=4 2317 B17R1.4157 CCCCNCCc1ccccc1C(=O)OC 7a_106832991798_200010284099 [0,1,1,0,0,0|2,0,0]=4 2318 B17R1.4157 CCCCOCCc1ccccc1C(=O)OC 34a_100000210227_200010284099 [0,1,1,0,0,0|2,0,0]=4 2319 B17R1.4157 CCCCOCCc1ccccc1C(=O)OC 7a_100000210227_200010284099 [0,1,1,0,0,0|2,0,0]=4 2320 B17R1.4157 CCCCOCNc1ccccc1C(=O)NC 34a_100000185696_100011995733 [0,1,1,0,0,0|2,0,0]=4 2321 B17R1.4157 CCCCOCOc1ccccc1C(=O)NO 34a_100000188472_100011995733 [0,1,1,0,0,0|2,0,0]=4 2322 B17R1.4157 CCCCOCSc1ccccc1C(=O)OC 62a_100000148710_100011995733 [0,1,1,0,0,0|2,0,0]=4 2323 B17R1.4157 CCCCOCSc1ccccc1C(=O)OC 62a_100011995733_100000148710 [0,1,1,0,0,0|2,0,0]=4 2324 B17R1.4157 CCCCOCSc1ccccc1C(=O)O[Na] 62a_100011995733_114855342371 [0,1,1,0,0,0|2,0,0]=4 2325 B17R1.4157 CCCCSCCc1ccccc1C(=O)OC 62a_100000210211_200010284099 [0,1,1,0,0,0|2,0,0]=4 2326 B17R1.4157 CCCCSCCc1ccccc1C(=O)OC 62a_200010284099_100000210210 [0,1,1,0,0,0|2,0,0]=4 2327 B17R1.4157 CCCOCCNc1ccccc1C(=O)NC 27a_100161115042_100000155073 [0,1,1,0,0,0|2,0,0]=4 2328 B17R1.4157 CCCOCCNc1ccccc1C(=O)NC 34a_100000185696_100011215938 [0,1,1,0,0,0|2,0,0]=4 2329 B17R1.4157 CCCOCCNc1ncccc1C(=O)OC 27a_100161115042_100000150852 [0,1,1,0,0,0|2,0,0]=4 2330 B17R1.4157 CCCOCCOc1ccccc1C(=O)NO 34a_100000188472_100011215938 [0,1,1,0,0,0|2,0,0]=4 2331 B17R1.4157 CCCOCCOc1ccccc1C(=O)OC 7a_100000150335_100011215938 [0,1,1,0,0,0|2,0,0]=4 2332 B17R1.4157 CCCOCCSc1ccccc1C(=O)OC 62a_100000148710_100011215938 [0,1,1,0,0,0|2,0,0]=4 2333 B17R1.4157 CCCOCCSc1ccccc1C(=O)OC 62a_100011215938_100000148710 [0,1,1,0,0,0|2,0,0]=4 2334 B17R1.4157 CCCOCCSc1ccccc1C(=O)O[Na] 62a_100011215938_114855342371 [0,1,1,0,0,0|2,0,0]=4 2335 B17R1.4157 CCCSCCNc1ccccc1C(=O)NC 27a_100020603323_100000155073 [0,1,1,0,0,0|2,0,0]=4 2336 B17R1.4157 CCCSCCNc1ncccc1C(=O)OC 27a_100020603323_100000150852 [0,1,1,0,0,0|2,0,0]=4 2337 B17R1.4157 CCOCCCNc1ccccc1C(=O)NC 27a_100000210961_100000155073 [0,1,1,0,0,0|2,0,0]=4 2338 B17R1.4157 CCOCCCNc1ccccc1C(=O)NC 34a_100000185696_100012232248 [0,1,1,0,0,0|2,0,0]=4 2339 B17R1.4157 CCOCCCNc1ncccc1C(=O)OC 27a_100000210961_100000150852 [0,1,1,0,0,0|2,0,0]=4 2340 B17R1.4157 CCOCCCOc1ccccc1C(=O)NO 34a_100000188472_100012232248 [0,1,1,0,0,0|2,0,0]=4 2341 B17R1.4157 CCOCCCOc1ccccc1C(=O)OC 7a_100000150335_100012232248 [0,1,1,0,0,0|2,0,0]=4 2342 B17R1.4157 CCOCCCSc1ccccc1C(=O)OC 62a_100000148710_100012232248 [0,1,1,0,0,0|2,0,0]=4 2343 B17R1.4157 CCOCCCSc1ccccc1C(=O)OC 62a_100012232248_100000148710 [0,1,1,0,0,0|2,0,0]=4 2344 B17R1.4157 CCOCCCSc1ccccc1C(=O)O[Na] 62a_100012232248_114855342371 [0,1,1,0,0,0|2,0,0]=4 2345 B17R1.4157 CNC(=O)c1ccccc1NCCCCCF 34a_100000185696_100000729378 [0,1,1,0,0,0|2,0,0]=4 2346 B17R1.4157 CNC(=O)c1ccccc1NCCCCCO 27a_100000762737_100000155073 [0,1,1,0,0,0|2,0,0]=4 2347 B17R1.4157 CNC(=O)c1ccccc1NCCCCCO 34a_100000185696_100000746330 [0,1,1,0,0,0|2,0,0]=4 2348 B17R1.4157 CNC(=O)c1ccccc1NCCCCOC 34a_100000185696_100000755781 [0,1,1,0,0,0|2,0,0]=4 2349 B17R1.4157 COC(=O)c1ccccc1OCCCCCF 7a_100000150335_100000729378 [0,1,1,0,0,0|2,0,0]=4 2350 B17R1.4157 COC(=O)c1ccccc1OCCCCCO 7a_100000150335_100000746330 [0,1,1,0,0,0|2,0,0]=4 2351 B17R1.4157 COC(=O)c1ccccc1SCCCCCF 62a_100000148710_100000729378 [0,1,1,0,0,0|2,0,0]=4 2352 B17R1.4157 COC(=O)c1ccccc1SCCCCCF 62a_100000729378_100000148710 [0,1,1,0,0,0|2,0,0]=4 2353 B17R1.4157 COC(=O)c1ccccc1SCCCCCO 62a_100000148710_100000746330 [0,1,1,0,0,0|2,0,0]=4 2354 B17R1.4157 COC(=O)c1ccccc1SCCCCCO 62a_100000746330_100000148710 [0,1,1,0,0,0|2,0,0]=4 2355 B17R1.4157 COC(=O)c1cccnc1NCCCCCO 27a_100000762737_100000150852 [0,1,1,0,0,0|2,0,0]=4 2356 B17R1.4157 COCCCCOc1ccccc1C(=O)NO 34a_100000188472_100000755781 [0,1,1,0,0,0|2,0,0]=4 2357 B17R1.4157 COCCCCOc1ccccc1C(=O)OC 7a_100000150335_100000730899 [0,1,1,0,0,0|2,0,0]=4 2358 B17R1.4157 COCCCCSc1ccccc1C(=O)OC 62a_100000148710_100000730899 [0,1,1,0,0,0|2,0,0]=4 2359 B17R1.4157 COCCCCSc1ccccc1C(=O)OC 62a_100000730899_100000148710 [0,1,1,0,0,0|2,0,0]=4 2360 B17R1.4157 COCCCCSc1ccccc1C(=O)O[Na] 62a_100000730899_114855342371 [0,1,1,0,0,0|2,0,0]=4 2361 B17R1.4157 O=C(NO)c1ccccc1OCCCCCF 34a_100000188472_100000729378 [0,1,1,0,0,0|2,0,0]=4 2362 B17R1.4157 O=C(NO)c1ccccc1OCCCCCO 34a_100000188472_100000746330 [0,1,1,0,0,0|2,0,0]=4 2363 B17R1.4157 O=C(O[Na])c1ccccc1SCCCCCF 62a_100000729378_114855342371 [0,1,1,0,0,0|2,0,0]=4 2364 B17R1.4157 O=C(O[Na])c1ccccc1SCCCCCO 62a_100000746330_114855342371 [0,1,1,0,0,0|2,0,0]=4 2365 B17R1.5105 CCCCCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000210757 [0,1,1,0,0,0|1,0,0]=3 2366 B17R1.5105 CCCCCCN(C)c1ccccc1[N+](=O)[O-] 2230a_100000156515_100000210314 [0,1,1,0,0,0|1,0,1]=4 2367 B17R1.5105 CCCCCCN(C)c1ccccc1[N+](=O)[O-] 269982a_100000156515_100000210757 [0,1,1,0,0,0|1,0,1]=4 2368 B17R1.5105 CCCCCCN(C)c1cccnc1C(=O)N 27a_106256046315_200012359670 [0,1,1,0,0,0|2,0,0]=4 2369 B17R1.5105 CCCCCCN(C)c1ccncc1C(=O)C 27a_106256046315_100160469449 [0,1,1,0,0,0|2,0,0]=4 2370 B17R1.5105 CCCCCCN(C)c1ccncc1C(=O)N 27a_106256046315_100000697804 [0,1,1,0,0,0|2,0,0]=4 2371 B17R1.5105 CCCCCCN(C)c1ncccc1C(=O)C 27a_106256046315_100009816689 [0,1,1,0,0,0|2,0,0]=4 2372 B17R1.5105 CCCCCCN(C)c1ncccc1C(=O)N 27a_106256046315_100000162199 [0,1,1,0,0,0|2,0,0]=4 2373 B17R1.5105 CCCCOCN(C)c1ccccc1C(=O)N 269982a_100000184419_100011995733 [0,1,1,0,0,0|2,0,0]=4 2374 B17R1.5105 CCCOCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100011215938 [0,1,1,0,0,0|2,0,0]=4 2375 B17R1.5105 CCOCCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100012232248 [0,1,1,0,0,0|2,0,0]=4 2376 B17R1.5105 CN(CCCCCF)c1ccccc1C(=O)N 269982a_100000184419_100000729378 [0,1,1,0,0,0|2,0,0]=4 2377 B17R1.5105 CN(CCCCCO)c1ccccc1C(=O)N 269982a_100000184419_100000746330 [0,1,1,0,0,0|2,0,0]=4 2378 B17R1.5105 COCCCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000730899 [0,1,1,0,0,0|2,0,0]=4 2379 B17R1.7901 C#CCCCCCNc1ccccc1C(=O)N 34a_100000185089_100012094781 [0,1,1,0,0,0|1,0,1]=4 2380 B17R1.7901 C#CCCCCCSc1ccccc1C(=O)O 62a_100012094781_100000734275 [0,1,1,0,0,0|1,0,1]=4 2381 B17R1.7901 C#CCCCCCSc1ccccc1C(=O)O 62a_202125556159_100012094781 [0,1,1,0,0,0|1,0,1]=4 2382 B17R1.7901 C#CCCCCNCc1ccccc1C(=O)O 269956a_100015183376_100010269958 [0,1,1,0,0,0|0,0,2]=4 2383 B17R1.7901 C=C(C)c1ccccc1NCCCCCCF 34a_100000037685_100015922095 [0,1,1,0,0,0|2,0,0]=4 2384 B17R1.7901 C=C(C)c1ccccc1NCCCCCCO 34a_100000037685_100000766143 [0,1,1,0,0,0|2,0,0]=4 2385 B17R1.7901 C=C(C)c1ccccc1NCCOCCCC 34a_100000037685_100000743108 [0,1,1,0,0,0|2,0,0]=4 2386 B17R1.7901 C=CCCCCCNc1ccccc1C(=O)N 34a_100000185089_100000700193 [0,1,1,0,0,0|1,0,1]=4 2387 B17R1.7901 C=CCCCCCSc1ccccc1C(=O)O 62a_100000700193_100000734275 [0,1,1,0,0,0|1,0,1]=4 2388 B17R1.7901 C=CCCCCCSc1ccccc1C(=O)O 62a_202125556159_100000700193 [0,1,1,0,0,0|1,0,1]=4 2389 B17R1.7901 C=CCCCCNCc1ccccc1C(=O)O 269956a_100015183376_100011215482 [0,1,1,0,0,0|0,0,2]=4 2390 B17R1.7901 CC(=O)c1ccccc1SCCCCCCF 62a_100000751169_100015922095 [0,1,1,0,0,0|2,0,0]=4 2391 B17R1.7901 CC(=O)c1ccccc1SCCCCCCO 62a_100000751169_100000766143 [0,1,1,0,0,0|2,0,0]=4 2392 B17R1.7901 CC(=O)c1cccnc1NCCCCCCO 27a_100000686447_100009816689 [0,1,1,0,0,0|2,0,0]=4 2393 B17R1.7901 CC(=O)c1cnccc1NCCCCCCO 27a_100000686447_100160469449 [0,1,1,0,0,0|2,0,0]=4 2394 B17R1.7901 CC(O)c1ccccc1NCCCCCCF 2230a_100011405641_100015922095 [0,1,1,0,0,0|1,0,1]=4 2395 B17R1.7901 CC(O)c1ccccc1NCCCCCCO 2230a_100011405641_100000766143 [0,1,1,0,0,0|1,0,1]=4 2396 B17R1.7901 CC/C=C\CCNCc1ccccc1C(=O)O 269956a_100015183376_100015370543 [0,1,1,0,0,0|0,0,2]=4 2397 B17R1.7901 CCCCCCC=Cc1ccccc1C(=O)C 271570a_200015348155_100000751169 [0,1,1,0,0,0|2,0,0]=4 2398 B17R1.7901 CCCCCCC=Cc1ccccc1C(=O)N 271570a_200015348155_100000162227 [0,1,1,0,0,0|2,0,0]=4 2399 B17R1.7901 CCCCCCCNc1ccccc1C(=O)N 34a_100000185089_100000210614 [0,1,1,0,0,0|1,0,0]=3 2400 B17R1.7901 CCCCCCCNc1ccccc1C(C)O 2230a_100011405641_100000210681 [0,1,1,0,0,0|1,0,1]=4 2401 B17R1.7901 CCCCCCCNc1cccnc1C(=O)N 27a_100000229938_200012359670 [0,1,1,0,0,0|2,0,0]=4 2402 B17R1.7901 CCCCCCCNc1ccncc1C(=O)C 27a_100000229938_100160469449 [0,1,1,0,0,0|2,0,0]=4 2403 B17R1.7901 CCCCCCCNc1ccncc1C(=O)N 27a_100000229938_100000697804 [0,1,1,0,0,0|2,0,0]=4 2404 B17R1.7901 CCCCCCCNc1ncccc1C(=O)C 27a_100000229938_100009816689 [0,1,1,0,0,0|2,0,0]=4 2405 B17R1.7901 CCCCCCCNc1ncccc1C(=O)N 27a_100000229938_100000162199 [0,1,1,0,0,0|2,0,0]=4 2406 B17R1.7901 CCCCCCCOc1ccccc1C(=O)N 34a_100000192804_100000210614 [0,1,1,0,0,0|2,0,0]=4 2407 B17R1.7901 CCCCCCCOc1ccccc1C(=O)N 7a_100000192804_100000210614 [0,1,1,0,0,0|2,0,0]=4 2408 B17R1.7901 CCCCCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210614 [0,1,1,0,0,0|1,0,1]=4 2409 B17R1.7901 CCCCCCCSc1ccccc1C(=O)C 62a_100000751169_100000210316 [0,1,1,0,0,0|2,0,0]=4 2410 B17R1.7901 CCCCCCCSc1ccccc1C(=O)N 62a_100000162227_100000210316 [0,1,1,0,0,0|2,0,0]=4 2411 B17R1.7901 CCCCCCCSc1ccccc1C(=O)N 62a_100000210614_100000162227 [0,1,1,0,0,0|2,0,0]=4 2412 B17R1.7901 CCCCCCCSc1ccccc1C(=O)O 62a_100000210614_100000734275 [0,1,1,0,0,0|1,0,0]=3 2413 B17R1.7901 CCCCCCCSc1ccccc1C(=O)O 62a_202125556159_100000210316 [0,1,1,0,0,0|1,0,0]=3 2414 B17R1.7901 CCCCCCNCc1ccccc1B(O)O 2230a_100000210581_100009814197 [0,1,1,0,0,0|1,0,1]=4 2415 B17R1.7901 CCCCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210757 [0,1,1,0,0,0|0,0,0]=2 2416 B17R1.7901 CCCCCCNCc1ccccc1[N+](=O)[O-] 2230a_100000210581_100000181388 [0,1,1,0,0,0|1,0,1]=4 2417 B17R1.7901 CCCCCCNCc1ccccc1[N+](=O)[O-] 270004a_100000210581_100000186027 [0,1,1,0,0,0|1,0,1]=4 2418 B17R1.7901 CCCCNCCOc1ccccc1C(=O)C 2230a_100000102301_100000184561 [0,1,1,0,0,0|2,0,0]=4 2419 B17R1.7901 CCCCNCCOc1ccccc1C(=O)C 7a_106832991798_100000184561 [0,1,1,0,0,0|2,0,0]=4 2420 B17R1.7901 CCCCOCCNc1ccccc1C(=O)N 34a_100000185089_100000743108 [0,1,1,0,0,0|1,0,0]=3 2421 B17R1.7901 CCCCOCCNc1ccccc1C(C)O 2230a_100011405641_100000743108 [0,1,1,0,0,0|1,0,1]=4 2422 B17R1.7901 CCCCOCCOc1ccccc1C(=O)C 34a_100000210227_100000184561 [0,1,1,0,0,0|2,0,0]=4 2423 B17R1.7901 CCCCOCCOc1ccccc1C(=O)C 7a_100000210227_100000184561 [0,1,1,0,0,0|2,0,0]=4 2424 B17R1.7901 CCCCOCCOc1ccccc1C(=O)N 34a_100000192804_100000743108 [0,1,1,0,0,0|2,0,0]=4 2425 B17R1.7901 CCCCOCCOc1ccccc1C(=O)N 7a_100000192804_100000743108 [0,1,1,0,0,0|2,0,0]=4 2426 B17R1.7901 CCCCOCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000743108 [0,1,1,0,0,0|1,0,1]=4 2427 B17R1.7901 CCCCOCCSc1ccccc1C(=O)C 62a_100000751169_100000743108 [0,1,1,0,0,0|2,0,0]=4 2428 B17R1.7901 CCCCOCCSc1ccccc1C(=O)N 62a_100000162227_100000743108 [0,1,1,0,0,0|2,0,0]=4 2429 B17R1.7901 CCCCOCCSc1ccccc1C(=O)N 62a_100000743108_100000162227 [0,1,1,0,0,0|2,0,0]=4 2430 B17R1.7901 CCCCOCCSc1ccccc1C(=O)O 62a_100000743108_100000734275 [0,1,1,0,0,0|1,0,0]=3 2431 B17R1.7901 CCCCOCCSc1ccccc1C(=O)O 62a_202125556159_100000743108 [0,1,1,0,0,0|1,0,0]=3 2432 B17R1.7901 CCCCOCNCc1ccccc1C(=O)O 269956a_100015183376_100011995733 [0,1,1,0,0,0|1,0,0]=3 2433 B17R1.7901 CCCCSCCNc1cccnc1C(=O)N 27a_100025743550_200012359670 [0,1,1,0,0,0|2,0,0]=4 2434 B17R1.7901 CCCCSCCNc1ccncc1C(=O)C 27a_100025743550_100160469449 [0,1,1,0,0,0|2,0,0]=4 2435 B17R1.7901 CCCCSCCNc1ccncc1C(=O)N 27a_100025743550_100000697804 [0,1,1,0,0,0|2,0,0]=4 2436 B17R1.7901 CCCCSCCNc1ncccc1C(=O)C 27a_100025743550_100009816689 [0,1,1,0,0,0|2,0,0]=4 2437 B17R1.7901 CCCCSCCNc1ncccc1C(=O)N 27a_100025743550_100000162199 [0,1,1,0,0,0|2,0,0]=4 2438 B17R1.7901 CCCCSCCOc1ccccc1C(=O)C 62a_100000184561_100000210210 [0,1,1,0,0,0|2,0,0]=4 2439 B17R1.7901 CCCCSCCOc1ccccc1C(=O)C 62a_100000210211_100000184561 [0,1,1,0,0,0|2,0,0]=4 2440 B17R1.7901 CCCOCCCNc1cccnc1C(=O)N 27a_100011217757_200012359670 [0,1,1,0,0,0|2,0,0]=4 2441 B17R1.7901 CCCOCCCNc1ccncc1C(=O)C 27a_100011217757_100160469449 [0,1,1,0,0,0|2,0,0]=4 2442 B17R1.7901 CCCOCCCNc1ccncc1C(=O)N 27a_100011217757_100000697804 [0,1,1,0,0,0|2,0,0]=4 2443 B17R1.7901 CCCOCCCNc1ncccc1C(=O)C 27a_100011217757_100009816689 [0,1,1,0,0,0|2,0,0]=4 2444 B17R1.7901 CCCOCCCNc1ncccc1C(=O)N 27a_100011217757_100000162199 [0,1,1,0,0,0|2,0,0]=4 2445 B17R1.7901 CCCOCCNCc1ccccc1C(=O)O 269956a_100015183376_100011215938 [0,1,1,0,0,0|1,0,0]=3 2446 B17R1.7901 CCOCCCNCc1ccccc1C(=O)O 269956a_100015183376_100012232248 [0,1,1,0,0,0|1,0,0]=3 2447 B17R1.7901 COCCCCCNc1cccnc1C(=O)N 27a_100000747528_200012359670 [0,1,1,0,0,0|2,0,0]=4 2448 B17R1.7901 COCCCCCNc1ccncc1C(=O)C 27a_100000747528_100160469449 [0,1,1,0,0,0|2,0,0]=4 2449 B17R1.7901 COCCCCCNc1ccncc1C(=O)N 27a_100000747528_100000697804 [0,1,1,0,0,0|2,0,0]=4 2450 B17R1.7901 COCCCCCNc1ncccc1C(=O)C 27a_100000747528_100009816689 [0,1,1,0,0,0|2,0,0]=4 2451 B17R1.7901 COCCCCCNc1ncccc1C(=O)N 27a_100000747528_100000162199 [0,1,1,0,0,0|2,0,0]=4 2452 B17R1.7901 COCCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000730899 [0,1,1,0,0,0|1,0,0]=3 2453 B17R1.7901 COCCOCCNc1ccccc1C(=O)N 34a_100000185089_100000695917 [0,1,1,0,0,0|2,0,0]=4 2454 B17R1.7901 COCCOCCSc1ccccc1C(=O)O 62a_100000695917_100000734275 [0,1,1,0,0,0|2,0,0]=4 2455 B17R1.7901 COCCOCCSc1ccccc1C(=O)O 62a_202125556159_100000695917 [0,1,1,0,0,0|2,0,0]=4 2456 B17R1.7901 COCCOCNCc1ccccc1C(=O)O 269956a_100015183376_100000231047 [0,1,1,0,0,0|2,0,0]=4 2457 B17R1.7901 N#CCCCCCSc1ccccc1C(=O)O 62a_100009813376_100000734275 [0,1,1,0,0,0|1,0,1]=4 2458 B17R1.7901 N#CCCCCCSc1ccccc1C(=O)O 62a_202125556159_100009813376 [0,1,1,0,0,0|1,0,1]=4 2459 B17R1.7901 N#CCCCCNCc1ccccc1C(=O)O 269956a_100015183376_100011219923 [0,1,1,0,0,0|1,0,1]=4 2460 B17R1.7901 NC(=O)c1ccccc1NCCCCCCF 34a_100000185089_100015922095 [0,1,1,0,0,0|1,0,0]=3 2461 B17R1.7901 NC(=O)c1ccccc1NCCCCCCO 34a_100000185089_100000766143 [0,1,1,0,0,0|1,0,0]=3 2462 B17R1.7901 NC(=O)c1ccccc1OCCCCCCF 34a_100000192804_100015922095 [0,1,1,0,0,0|2,0,0]=4 2463 B17R1.7901 NC(=O)c1ccccc1OCCCCCCF 7a_100000192804_100015922095 [0,1,1,0,0,0|2,0,0]=4 2464 B17R1.7901 NC(=O)c1ccccc1OCCCCCCO 34a_100000192804_100000766143 [0,1,1,0,0,0|2,0,0]=4 2465 B17R1.7901 NC(=O)c1ccccc1OCCCCCCO 7a_100000192804_100000766143 [0,1,1,0,0,0|2,0,0]=4 2466 B17R1.7901 NC(=O)c1ccccc1SCCCCCCF 62a_100000162227_100015922095 [0,1,1,0,0,0|2,0,0]=4 2467 B17R1.7901 NC(=O)c1ccccc1SCCCCCCF 62a_100015922095_100000162227 [0,1,1,0,0,0|2,0,0]=4 2468 B17R1.7901 NC(=O)c1ccccc1SCCCCCCO 62a_100000162227_100000766143 [0,1,1,0,0,0|2,0,0]=4 2469 B17R1.7901 NC(=O)c1ccccc1SCCCCCCO 62a_100000766143_100000162227 [0,1,1,0,0,0|2,0,0]=4 2470 B17R1.7901 NC(=O)c1cccnc1NCCCCCCO 27a_100000686447_100000162199 [0,1,1,0,0,0|2,0,0]=4 2471 B17R1.7901 NC(=O)c1cnccc1NCCCCCCO 27a_100000686447_100000697804 [0,1,1,0,0,0|2,0,0]=4 2472 B17R1.7901 NC(=O)c1ncccc1NCCCCCCO 27a_100000686447_200012359670 [0,1,1,0,0,0|2,0,0]=4 2473 B17R1.7901 O=C(O)c1ccccc1CNCCCCCF 269956a_100015183376_100000729378 [0,1,1,0,0,0|1,0,0]=3 2474 B17R1.7901 O=C(O)c1ccccc1CNCCCCCO 269956a_100015183376_100000746330 [0,1,1,0,0,0|1,0,0]=3 2475 B17R1.7901 O=C(O)c1ccccc1CNCCOCCO 269956a_100015183376_100011215305 [0,1,1,0,0,0|2,0,0]=4 2476 B17R1.7901 O=C(O)c1ccccc1SCCCCCCF 62a_100015922095_100000734275 [0,1,1,0,0,0|1,0,0]=3 2477 B17R1.7901 O=C(O)c1ccccc1SCCCCCCF 62a_202125556159_100015922095 [0,1,1,0,0,0|1,0,0]=3 2478 B17R1.7901 O=C(O)c1ccccc1SCCCCCCO 62a_100000766143_100000734275 [0,1,1,0,0,0|1,0,0]=3 2479 B17R1.7901 O=C(O)c1ccccc1SCCCCCCO 62a_202125556159_100000766143 [0,1,1,0,0,0|1,0,0]=3 2480 B17R1.7901 O=C([O-])c1ccccc1OCCCCCCF 7a_100015234032_100015922095 [0,1,1,0,0,0|1,0,1]=4 2481 B17R1.7901 O=C([O-])c1ccccc1OCCCCCCO 7a_100015234032_100000766143 [0,1,1,0,0,0|1,0,1]=4 2482 B17R1.7901 O=CCCCCCSc1ccccc1C(=O)O 62a_100000139337_100000734275 [0,1,1,0,0,0|1,0,1]=4 2483 B17R1.7901 O=CCCCCCSc1ccccc1C(=O)O 62a_202125556159_100000139337 [0,1,1,0,0,0|1,0,1]=4 2484 B17R1.7901 O=CCCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000139335 [0,1,1,0,0,0|1,0,1]=4 2485 B17R1.8911 CCCCC(C)NCc1ccccc1C(=O)O 269956a_100015183376_200011215066 [0,1,1,0,0,0|2,0,0]=4 2486 B17R1.8968 CCCCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000212188 [0,1,1,0,0,0|1,0,1]=4 2487 B17R1.8968 CCCCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000212188 [0,1,1,0,0,0|1,0,1]=4 2488 B17R1.8968 CCCCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000212188 [0,1,1,0,0,0|1,0,1]=4 2489 B17R1.8968 CCCCCC(C)Nc1ccccc1C(=O)N 34a_100000185089_200011218191 [0,1,1,0,0,0|1,0,0]=3 2490 B17R1.8968 CCCCCC(C)Nc1ccccc1C(C)O 2230a_100011405641_200011218191 [0,1,1,0,0,0|1,0,1]=4 2491 B17R1.8968 CCCCCC(C)Nc1cccnc1C(=O)N 27a_100000211957_200012359670 [0,1,1,0,0,0|2,0,0]=4 2492 B17R1.8968 CCCCCC(C)Nc1ccncc1C(=O)C 27a_100000211957_100160469449 [0,1,1,0,0,0|2,0,0]=4 2493 B17R1.8968 CCCCCC(C)Nc1ccncc1C(=O)N 27a_100000211957_100000697804 [0,1,1,0,0,0|2,0,0]=4 2494 B17R1.8968 CCCCCC(C)Nc1ncccc1C(=O)C 27a_100000211957_100009816689 [0,1,1,0,0,0|2,0,0]=4 2495 B17R1.8968 CCCCCC(C)Nc1ncccc1C(=O)N 27a_100000211957_100000162199 [0,1,1,0,0,0|2,0,0]=4 2496 B17R1.8968 CCCCCC(C)Oc1ccccc1C(=O)N 34a_100000192804_200011218191 [0,1,1,0,0,0|2,0,0]=4 2497 B17R1.8968 CCCCCC(C)Oc1ccccc1C(=O)N 7a_100000192804_200011218191 [0,1,1,0,0,0|2,0,0]=4 2498 B17R1.8968 CCCCCC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_200011218191 [0,1,1,0,0,0|1,0,1]=4 2499 B17R1.8968 CCCCCC(C)Sc1ccccc1C(=O)C 62a_100000751169_200011218191 [0,1,1,0,0,0|2,0,0]=4 2500 B17R1.8968 CCCCCC(C)Sc1ccccc1C(=O)N 62a_100000162227_200011218191 [0,1,1,0,0,0|2,0,0]=4 2501 B17R1.8968 CCCCCC(C)Sc1ccccc1C(=O)N 62a_200011218191_100000162227 [0,1,1,0,0,0|2,0,0]=4 2502 B17R1.8968 CCCCCC(C)Sc1ccccc1C(=O)O 62a_200011218191_100000734275 [0,1,1,0,0,0|1,0,0]=3 2503 B17R1.8968 CCCCCC(C)Sc1ccccc1C(=O)O 62a_202125556159_200011218191 [0,1,1,0,0,0|1,0,0]=3 2504 B17R1.16398 C=C(C)c1ccccc1NCCCCC(C)C 34a_100000037685_100011216152 [0,1,1,0,0,0|2,0,0]=4 2505 B17R1.16398 CC(=O)CCCCNc1ccccc1C(=O)N 34a_100000185089_100009817362 [0,1,1,0,0,0|1,0,1]=4 2506 B17R1.16398 CC(=O)CCCCSc1ccccc1C(=O)O 62a_100000735457_100000734275 [0,1,1,0,0,0|1,0,1]=4 2507 B17R1.16398 CC(=O)CCCCSc1ccccc1C(=O)O 62a_202125556159_100000735457 [0,1,1,0,0,0|1,0,1]=4 2508 B17R1.16398 CC(=O)c1ccccc1SCCCCC(C)C 62a_100000751169_100011216152 [0,1,1,0,0,0|2,0,0]=4 2509 B17R1.16398 CC(C)CCCCNc1ccccc1C(=O)N 34a_100000185089_100011216152 [0,1,1,0,0,0|1,0,0]=3 2510 B17R1.16398 CC(C)CCCCNc1ccccc1C(C)O 2230a_100011405641_100011216152 [0,1,1,0,0,0|1,0,1]=4 2511 B17R1.16398 CC(C)CCCCOc1ccccc1C(=O)N 34a_100000192804_100011216152 [0,1,1,0,0,0|2,0,0]=4 2512 B17R1.16398 CC(C)CCCCOc1ccccc1C(=O)N 7a_100000192804_100011216152 [0,1,1,0,0,0|2,0,0]=4 2513 B17R1.16398 CC(C)CCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100011216152 [0,1,1,0,0,0|1,0,1]=4 2514 B17R1.16398 CC(C)CCCCSc1ccccc1C(=O)N 62a_100000162227_100011216152 [0,1,1,0,0,0|2,0,0]=4 2515 B17R1.16398 CC(C)CCCCSc1ccccc1C(=O)N 62a_100011216152_100000162227 [0,1,1,0,0,0|2,0,0]=4 2516 B17R1.16398 CC(C)CCCCSc1ccccc1C(=O)O 62a_100011216152_100000734275 [0,1,1,0,0,0|1,0,0]=3 2517 B17R1.16398 CC(C)CCCCSc1ccccc1C(=O)O 62a_202125556159_100011216152 [0,1,1,0,0,0|1,0,0]=3 2518 B17R1.16398 CC(C)CCCNCc1ccccc1C(=O)O 269956a_100015183376_100011214892 [0,1,1,0,0,0|2,0,0]=4 2519 B17R1.16398 CC(O)CCCNCc1ccccc1C(=O)O 269956a_100015183376_200000718107 [0,1,1,0,0,0|2,0,0]=4 2520 B17R1.16398 CN(C)CCCCSc1ccccc1C(=O)O 62a_202125556159_100000690147 [0,1,1,0,0,0|2,0,0]=4 2521 B17R1.19168 CCCC(C)CNCc1ccccc1C(=O)O 269956a_100015183376_100011216630 [0,1,1,0,0,0|2,0,0]=4 2522 B17R1.24156 CCN(C)CCCSc1ccccc1C(=O)O 62a_202125556159_100015186262 [0,1,1,0,0,0|2,0,0]=4 2523 B17R1.25058 CCCCCCNc1c(cccc1C(=O)N)C 34a_100000223273_100000210314 [0,1,1,0,0,0|1,0,0]=3 2524 B17R1.25058 CCCCCCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000210314 [0,1,1,0,0,0|1,0,0]=3 2525 B17R1.25058 CCCCCCNc1c(cccc1C(=O)N)F 34a_100011722151_100000210314 [0,1,1,0,0,0|1,0,0]=3 2526 B17R1.25058 CCCCCCNc1c(cccc1[N+](=O)[O-])F 34a_100000687224_100000210314 [0,1,1,0,0,0|1,0,1]=4 2527 B17R1.25058 CCCCCCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210314 [0,1,1,0,0,0|2,0,0]=4 2528 B17R1.25058 CCCCCCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210314 [0,1,1,0,0,0|2,0,0]=4 2529 B17R1.25058 CCCCCCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210314 [0,1,1,0,0,0|2,0,0]=4 2530 B17R1.25058 CCCCCCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210314 [0,1,1,0,0,0|2,0,0]=4 2531 B17R1.25058 CCCCCCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210314 [0,1,1,0,0,0|2,0,0]=4 2532 B17R1.25058 CCCCCCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210314 [0,1,1,0,0,0|2,0,0]=4 2533 B17R1.25058 CCCCCCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210314 [0,1,1,0,0,0|2,0,0]=4 2534 B17R1.25058 CCCCCCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210314 [0,1,1,0,0,0|2,0,0]=4 2535 B17R1.25058 CCCCCCOc1c(cccc1C(=O)N)F 34a_100009886295_100000210314 [0,1,1,0,0,0|2,0,0]=4 2536 B17R1.25058 CCCCCCOc1c(cccc1C(=O)N)F 7a_100009886295_100000210314 [0,1,1,0,0,0|2,0,0]=4 2537 B17R1.25058 CCCCCCSc1c(cccc1C(=O)C)F 62a_100000210314_100012362612 [0,1,1,0,0,0|2,0,0]=4 2538 B17R1.25058 CCCCCCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210757 [0,1,1,0,0,0|2,0,0]=4 2539 B17R1.25058 CCCCCCSc1c(cccc1C(=O)N)C 62a_100000210314_200011409216 [0,1,1,0,0,0|2,0,0]=4 2540 B17R1.25058 CCCCCCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210757 [0,1,1,0,0,0|2,0,0]=4 2541 B17R1.25058 CCCCCCSc1c(cccc1C(=O)N)F 62a_100000210314_200012351544 [0,1,1,0,0,0|2,0,0]=4 2542 B17R1.25058 CCCCCCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210757 [0,1,1,0,0,0|2,0,0]=4 2543 B17R1.25058 CCCCOCNc1c(cccc1C(=O)N)C 34a_100000223273_100011995733 [0,1,1,0,0,0|2,0,0]=4 2544 B17R1.25058 CCCCOCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100011995733 [0,1,1,0,0,0|2,0,0]=4 2545 B17R1.25058 CCCCOCNc1c(cccc1C(=O)N)F 34a_100011722151_100011995733 [0,1,1,0,0,0|2,0,0]=4 2546 B17R1.25058 CCCOCCNc1c(cccc1C(=O)N)C 34a_100000223273_100011215938 [0,1,1,0,0,0|2,0,0]=4 2547 B17R1.25058 CCCOCCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100011215938 [0,1,1,0,0,0|2,0,0]=4 2548 B17R1.25058 CCCOCCNc1c(cccc1C(=O)N)F 34a_100011722151_100011215938 [0,1,1,0,0,0|2,0,0]=4 2549 B17R1.25058 CCOCCCNc1c(cccc1C(=O)N)C 34a_100000223273_100012232248 [0,1,1,0,0,0|2,0,0]=4 2550 B17R1.25058 CCOCCCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100012232248 [0,1,1,0,0,0|2,0,0]=4 2551 B17R1.25058 CCOCCCNc1c(cccc1C(=O)N)F 34a_100011722151_100012232248 [0,1,1,0,0,0|2,0,0]=4 2552 B17R1.25058 COCCCCNc1c(cccc1C(=O)N)C 34a_100000223273_100000755781 [0,1,1,0,0,0|2,0,0]=4 2553 B17R1.25058 COCCCCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000755781 [0,1,1,0,0,0|2,0,0]=4 2554 B17R1.25058 COCCCCNc1c(cccc1C(=O)N)F 34a_100011722151_100000755781 [0,1,1,0,0,0|2,0,0]=4 2555 B17R1.25058 Cc1cccc(c1NCCCCCF)C(=O)N 34a_100000223273_100000729378 [0,1,1,0,0,0|2,0,0]=4 2556 B17R1.25058 Cc1cccc(c1NCCCCCO)C(=O)N 34a_100000223273_100000746330 [0,1,1,0,0,0|2,0,0]=4 2557 B17R1.25058 NC(=O)c1cccc(c1NCCCCCF)Cl 34a_200011997947_100000729378 [0,1,1,0,0,0|2,0,0]=4 2558 B17R1.25058 NC(=O)c1cccc(c1NCCCCCF)F 34a_100011722151_100000729378 [0,1,1,0,0,0|2,0,0]=4 2559 B17R1.25058 NC(=O)c1cccc(c1NCCCCCO)Cl 34a_200011997947_100000746330 [0,1,1,0,0,0|2,0,0]=4 2560 B17R1.25058 NC(=O)c1cccc(c1NCCCCCO)F 34a_100011722151_100000746330 [0,1,1,0,0,0|2,0,0]=4 2561 B17R1.25716 CCCCCCNc1cccc(c1C(=O)N)C 34a_100102558177_100000210314 [0,1,1,0,0,0|1,0,0]=3 2562 B17R1.25716 CCCCCCNc1cccc(c1C(=O)N)C 7a_100102558177_100000210314 [0,1,1,0,0,0|1,0,0]=3 2563 B17R1.25716 CCCCCCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100000210314 [0,1,1,0,0,0|1,0,0]=3 2564 B17R1.25716 CCCCCCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100000210314 [0,1,1,0,0,0|1,0,0]=3 2565 B17R1.25716 CCCCCCNc1cccc(c1C(=O)N)F 27a_100000210581_100011219063 [0,1,1,0,0,0|1,0,0]=3 2566 B17R1.25716 CCCCCCNc1cccc(c1C(=O)N)F 34a_100000036109_100000210314 [0,1,1,0,0,0|1,0,0]=3 2567 B17R1.25716 CCCCCCNc1cccc(c1C(=O)N)F 7a_100000036109_100000210314 [0,1,1,0,0,0|1,0,0]=3 2568 B17R1.25716 CCCCCCNc1cccc(c1[N+](=O)[O-])C 34a_100011424894_100000210314 [0,1,1,0,0,0|1,0,1]=4 2569 B17R1.25716 CCCCCCNc1cccc(c1[N+](=O)[O-])F 34a_100011219493_100000210314 [0,1,1,0,0,0|1,0,1]=4 2570 B17R1.25716 CCCCCCOc1cccc(c1C(=O)C)Br 34a_100010174959_100000210314 [0,1,1,0,0,0|2,0,0]=4 2571 B17R1.25716 CCCCCCOc1cccc(c1C(=O)C)Br 7a_100010174959_100000210314 [0,1,1,0,0,0|2,0,0]=4 2572 B17R1.25716 CCCCCCOc1cccc(c1C(=O)C)C 34a_100009860897_100000210314 [0,1,1,0,0,0|2,0,0]=4 2573 B17R1.25716 CCCCCCOc1cccc(c1C(=O)C)C 7a_100009860897_100000210314 [0,1,1,0,0,0|2,0,0]=4 2574 B17R1.25716 CCCCCCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100000210314 [0,1,1,0,0,0|2,0,0]=4 2575 B17R1.25716 CCCCCCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100000210314 [0,1,1,0,0,0|2,0,0]=4 2576 B17R1.25716 CCCCCCOc1cccc(c1C(=O)C)F 34a_100011216272_100000210314 [0,1,1,0,0,0|2,0,0]=4 2577 B17R1.25716 CCCCCCOc1cccc(c1C(=O)C)F 7a_100011216272_100000210314 [0,1,1,0,0,0|2,0,0]=4 2578 B17R1.25716 CCCCCCOc1cccc(c1C(=O)N)F 34a_100000701607_100000210314 [0,1,1,0,0,0|2,0,0]=4 2579 B17R1.25716 CCCCCCOc1cccc(c1C(=O)N)F 7a_100000701607_100000210314 [0,1,1,0,0,0|2,0,0]=4 2580 B17R1.25716 CCCCCCSc1cccc(c1C(=O)C)F 62a_100012351873_100000210757 [0,1,1,0,0,0|2,0,0]=4 2581 B17R1.25716 CCCCCCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210757 [0,1,1,0,0,0|2,0,0]=4 2582 B17R1.25716 CCCCCCSc1cccc(c1C(=O)N)F 62a_100011219063_100000210757 [0,1,1,0,0,0|2,0,0]=4 2583 B17R1.25716 CCCCOCNc1cccc(c1C(=O)N)C 34a_100102558177_100011995733 [0,1,1,0,0,0|2,0,0]=4 2584 B17R1.25716 CCCCOCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100011995733 [0,1,1,0,0,0|2,0,0]=4 2585 B17R1.25716 CCCCOCNc1cccc(c1C(=O)N)F 34a_100000036109_100011995733 [0,1,1,0,0,0|2,0,0]=4 2586 B17R1.25716 CCCOCCNc1cccc(c1C(=O)N)C 34a_100102558177_100011215938 [0,1,1,0,0,0|2,0,0]=4 2587 B17R1.25716 CCCOCCNc1cccc(c1C(=O)N)C 7a_100102558177_100011215938 [0,1,1,0,0,0|2,0,0]=4 2588 B17R1.25716 CCCOCCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100011215938 [0,1,1,0,0,0|2,0,0]=4 2589 B17R1.25716 CCCOCCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100011215938 [0,1,1,0,0,0|2,0,0]=4 2590 B17R1.25716 CCCOCCNc1cccc(c1C(=O)N)F 27a_100161115042_100011219063 [0,1,1,0,0,0|2,0,0]=4 2591 B17R1.25716 CCCOCCNc1cccc(c1C(=O)N)F 34a_100000036109_100011215938 [0,1,1,0,0,0|2,0,0]=4 2592 B17R1.25716 CCCOCCNc1cccc(c1C(=O)N)F 7a_100000036109_100011215938 [0,1,1,0,0,0|2,0,0]=4 2593 B17R1.25716 CCCSCCNc1cccc(c1C(=O)N)F 27a_100020603323_100011219063 [0,1,1,0,0,0|2,0,0]=4 2594 B17R1.25716 CCOCCCNc1cccc(c1C(=O)N)C 34a_100102558177_100012232248 [0,1,1,0,0,0|2,0,0]=4 2595 B17R1.25716 CCOCCCNc1cccc(c1C(=O)N)C 7a_100102558177_100012232248 [0,1,1,0,0,0|2,0,0]=4 2596 B17R1.25716 CCOCCCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100012232248 [0,1,1,0,0,0|2,0,0]=4 2597 B17R1.25716 CCOCCCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100012232248 [0,1,1,0,0,0|2,0,0]=4 2598 B17R1.25716 CCOCCCNc1cccc(c1C(=O)N)F 27a_100000210961_100011219063 [0,1,1,0,0,0|2,0,0]=4 2599 B17R1.25716 CCOCCCNc1cccc(c1C(=O)N)F 34a_100000036109_100012232248 [0,1,1,0,0,0|2,0,0]=4 2600 B17R1.25716 CCOCCCNc1cccc(c1C(=O)N)F 7a_100000036109_100012232248 [0,1,1,0,0,0|2,0,0]=4 2601 B17R1.25716 COCCCCNc1cccc(c1C(=O)N)C 34a_100102558177_100000755781 [0,1,1,0,0,0|2,0,0]=4 2602 B17R1.25716 COCCCCNc1cccc(c1C(=O)N)C 7a_100102558177_100000730899 [0,1,1,0,0,0|2,0,0]=4 2603 B17R1.25716 COCCCCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100000755781 [0,1,1,0,0,0|2,0,0]=4 2604 B17R1.25716 COCCCCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100000730899 [0,1,1,0,0,0|2,0,0]=4 2605 B17R1.25716 COCCCCNc1cccc(c1C(=O)N)F 34a_100000036109_100000755781 [0,1,1,0,0,0|2,0,0]=4 2606 B17R1.25716 COCCCCNc1cccc(c1C(=O)N)F 7a_100000036109_100000730899 [0,1,1,0,0,0|2,0,0]=4 2607 B17R1.25716 Cc1cccc(c1C(=O)N)NCCCCCF 34a_100102558177_100000729378 [0,1,1,0,0,0|2,0,0]=4 2608 B17R1.25716 Cc1cccc(c1C(=O)N)NCCCCCF 7a_100102558177_100000729378 [0,1,1,0,0,0|2,0,0]=4 2609 B17R1.25716 Cc1cccc(c1C(=O)N)NCCCCCO 34a_100102558177_100000746330 [0,1,1,0,0,0|2,0,0]=4 2610 B17R1.25716 Cc1cccc(c1C(=O)N)NCCCCCO 7a_100102558177_100000746330 [0,1,1,0,0,0|2,0,0]=4 2611 B17R1.25716 NC(=O)c1c(cccc1NCCCCCF)Cl 34a_100000764435_100000729378 [0,1,1,0,0,0|2,0,0]=4 2612 B17R1.25716 NC(=O)c1c(cccc1NCCCCCF)Cl 7a_100000764435_100000729378 [0,1,1,0,0,0|2,0,0]=4 2613 B17R1.25716 NC(=O)c1c(cccc1NCCCCCF)F 34a_100000036109_100000729378 [0,1,1,0,0,0|2,0,0]=4 2614 B17R1.25716 NC(=O)c1c(cccc1NCCCCCF)F 7a_100000036109_100000729378 [0,1,1,0,0,0|2,0,0]=4 2615 B17R1.25716 NC(=O)c1c(cccc1NCCCCCO)Cl 34a_100000764435_100000746330 [0,1,1,0,0,0|2,0,0]=4 2616 B17R1.25716 NC(=O)c1c(cccc1NCCCCCO)Cl 7a_100000764435_100000746330 [0,1,1,0,0,0|2,0,0]=4 2617 B17R1.25716 NC(=O)c1c(cccc1NCCCCCO)F 27a_100000762737_100011219063 [0,1,1,0,0,0|2,0,0]=4 2618 B17R1.25716 NC(=O)c1c(cccc1NCCCCCO)F 34a_100000036109_100000746330 [0,1,1,0,0,0|2,0,0]=4 2619 B17R1.25716 NC(=O)c1c(cccc1NCCCCCO)F 7a_100000036109_100000746330 [0,1,1,0,0,0|2,0,0]=4 2620 B17R1.4891 CCCCC(C)Nc1cc(ccc1C(=O)C)F 27a_100000126638_100000686192 [0,1,1,0,0,0|1,0,0]=3 2621 B17R1.4891 CCCCC(C)Nc1cc(ccc1C(=O)N)Br 27a_100000126638_100009815748 [0,1,1,0,0,0|1,0,0]=3 2622 B17R1.4891 CCCCC(C)Nc1cc(ccc1C(=O)N)Br 7a_100012349972_200011215066 [0,1,1,0,0,0|1,0,0]=3 2623 B17R1.4891 CCCCC(C)Nc1cc(ccc1C(=O)N)C 34a_100011219537_200011215066 [0,1,1,0,0,0|1,0,0]=3 2624 B17R1.4891 CCCCC(C)Nc1cc(ccc1C(=O)N)C 7a_100011219537_200011215066 [0,1,1,0,0,0|1,0,0]=3 2625 B17R1.4891 CCCCC(C)Nc1cc(ccc1C(=O)N)Cl 34a_100000738103_200011215066 [0,1,1,0,0,0|1,0,0]=3 2626 B17R1.4891 CCCCC(C)Nc1cc(ccc1C(=O)N)Cl 7a_100000738103_200011215066 [0,1,1,0,0,0|1,0,0]=3 2627 B17R1.4891 CCCCC(C)Nc1cc(ccc1C(=O)N)F 27a_100000126638_100000206404 [0,1,1,0,0,0|1,0,0]=3 2628 B17R1.4891 CCCCC(C)Nc1cc(ccc1C(=O)N)F 34a_100011298637_200011215066 [0,1,1,0,0,0|1,0,0]=3 2629 B17R1.4891 CCCCC(C)Nc1cc(ccc1[N+](=O)[O-])F 34a_100000746377_200011215066 [0,1,1,0,0,0|1,0,1]=4 2630 B17R1.4891 CCCCC(C)Nc1nc(ccc1C(=O)N)C 27a_100000126638_100000041523 [0,1,1,0,0,0|2,0,0]=4 2631 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)C)Br 7a_100000188348_200011215066 [0,1,1,0,0,0|2,0,0]=4 2632 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)C)C 34a_100000234885_200011215066 [0,1,1,0,0,0|2,0,0]=4 2633 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)C)C 7a_100000234885_200011215066 [0,1,1,0,0,0|2,0,0]=4 2634 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)C)Cl 34a_100000061402_200011215066 [0,1,1,0,0,0|2,0,0]=4 2635 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)C)Cl 7a_100000061402_200011215066 [0,1,1,0,0,0|2,0,0]=4 2636 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)C)F 7a_100011215782_200011215066 [0,1,1,0,0,0|2,0,0]=4 2637 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200011215066 [0,1,1,0,0,0|2,0,0]=4 2638 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200011215066 [0,1,1,0,0,0|2,0,0]=4 2639 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)N)C 34a_100000192831_200011215066 [0,1,1,0,0,0|2,0,0]=4 2640 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)N)C 7a_100000192831_200011215066 [0,1,1,0,0,0|2,0,0]=4 2641 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200011215066 [0,1,1,0,0,0|2,0,0]=4 2642 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200011215066 [0,1,1,0,0,0|2,0,0]=4 2643 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)N)N 34a_100000223280_200011215066 [0,1,1,0,0,0|2,0,0]=4 2644 B17R1.4891 CCCCC(C)Oc1cc(ccc1C(=O)N)N 7a_100000223280_200011215066 [0,1,1,0,0,0|2,0,0]=4 2645 B17R1.4891 CCCCC(C)Sc1cc(ccc1C(=O)C)C 62a_100012353930_200011215066 [0,1,1,0,0,0|2,0,0]=4 2646 B17R1.4891 CCCCC(C)Sc1cc(ccc1C(=O)C)C 62a_200011215066_100012353930 [0,1,1,0,0,0|2,0,0]=4 2647 B17R1.4891 CCCCC(C)Sc1cc(ccc1C(=O)C)F 62a_100000686192_200011215066 [0,1,1,0,0,0|2,0,0]=4 2648 B17R1.4891 CCCCC(C)Sc1cc(ccc1C(=O)C)O 62a_100012340537_200011215066 [0,1,1,0,0,0|2,0,0]=4 2649 B17R1.4891 CCCCC(C)Sc1cc(ccc1C(=O)N)Br 62a_100009815748_200011215066 [0,1,1,0,0,0|2,0,0]=4 2650 B17R1.4891 CCCCC(C)Sc1cc(ccc1C(=O)N)F 62a_100000206404_200011215066 [0,1,1,0,0,0|2,0,0]=4 2651 B17R1.4891 CCCCC(C)Sc1cc(ccc1C(=O)N)F 62a_200011215066_100000206404 [0,1,1,0,0,0|2,0,0]=4 2652 B17R1.4920 CCCCC(C)Nc1ccccc1C(C)(C)O 34a_100000081495_200011215066 [0,1,1,0,0,0|1,0,1]=4 2653 B17R1.4920 CCCCC(C)Nc1ccccc1C(C)(C)O 7a_100000081495_200011215066 [0,1,1,0,0,0|1,0,1]=4 2654 B17R1.4920 CCCCC(C)Nc1ccccc1P(=O)(C)C 2230a_100010749338_200011215066 [0,1,1,0,0,0|2,0,0]=4 2655 B17R1.4920 CCCCC(C)Nc1ccccc1P(=O)(C)C 34a_100010749338_200011215066 [0,1,1,0,0,0|2,0,0]=4 2656 B17R1.4920 CCCCC(C)Nc1ccccc1S(=O)(=O)C 34a_100000241000_200011215066 [0,1,1,0,0,0|1,0,1]=4 2657 B17R1.4920 CCCCC(C)Nc1ccccc1S(=O)(=O)C 7a_100000241000_200011215066 [0,1,1,0,0,0|1,0,1]=4 2658 B17R1.4920 CCCCC(C)Nc1ccccc1S(=O)(=O)N 34a_100011204920_200011215066 [0,1,1,0,0,0|1,0,1]=4 2659 B17R1.4921 CCCCC(C)Nc1ccccc1C(=O)NC 27a_100000126638_100000155073 [0,1,1,0,0,0|1,0,0]=3 2660 B17R1.4921 CCCCC(C)Nc1ccccc1C(=O)NC 34a_100000185696_200011215066 [0,1,1,0,0,0|1,0,0]=3 2661 B17R1.4921 CCCCC(C)Nc1ncccc1C(=O)NC 27a_100000126638_100000159833 [0,1,1,0,0,0|2,0,0]=4 2662 B17R1.4921 CCCCC(C)Nc1ncccc1C(=O)OC 27a_100000126638_100000150852 [0,1,1,0,0,0|1,0,0]=3 2663 B17R1.4921 CCCCC(C)Nc1nccnc1C(=O)OC 27a_100000126638_100000079898 [0,1,1,0,0,0|2,0,0]=4 2664 B17R1.4921 CCCCC(C)Nc1ncncc1C(=O)OC 27a_100000126638_100000726419 [0,1,1,0,0,0|2,0,0]=4 2665 B17R1.4921 CCCCC(C)Oc1ccccc1C(=NO)C 34a_100000164216_200011215066 [0,1,1,0,0,0|2,0,0]=4 2666 B17R1.4921 CCCCC(C)Oc1ccccc1C(=O)CBr 7a_100000188908_200011215066 [0,1,1,0,0,0|2,0,0]=4 2667 B17R1.4921 CCCCC(C)Oc1ccccc1C(=O)CC 7a_100000184720_200011215066 [0,1,1,0,0,0|2,0,0]=4 2668 B17R1.4921 CCCCC(C)Oc1ccccc1C(=O)NC 34a_100000185920_200011215066 [0,1,1,0,0,0|2,0,0]=4 2669 B17R1.4921 CCCCC(C)Oc1ccccc1C(=O)NC 7a_100000185920_200011215066 [0,1,1,0,0,0|2,0,0]=4 2670 B17R1.4921 CCCCC(C)Oc1ccccc1C(=O)NN 34a_100000186518_200011215066 [0,1,1,0,0,0|2,0,0]=4 2671 B17R1.4921 CCCCC(C)Oc1ccccc1C(=O)NO 34a_100000188472_200011215066 [0,1,1,0,0,0|1,0,0]=3 2672 B17R1.4921 CCCCC(C)Oc1ccccc1C(=O)OC 7a_100000150335_200011215066 [0,1,1,0,0,0|1,0,0]=3 2673 B17R1.4921 CCCCC(C)Oc1cccnc1C(=O)OC 34a_100000744052_200011215066 [0,1,1,0,0,0|2,0,0]=4 2674 B17R1.4921 CCCCC(C)Oc1cccnc1C(=O)OC 7a_100000744052_200011215066 [0,1,1,0,0,0|2,0,0]=4 2675 B17R1.4921 CCCCC(C)Sc1ccccc1C(=O)NC 62a_100000155073_200011215066 [0,1,1,0,0,0|2,0,0]=4 2676 B17R1.4921 CCCCC(C)Sc1ccccc1C(=O)NC 62a_200011215066_100000155073 [0,1,1,0,0,0|2,0,0]=4 2677 B17R1.4921 CCCCC(C)Sc1ccccc1C(=O)NN 62a_100000190081_200011215066 [0,1,1,0,0,0|2,0,0]=4 2678 B17R1.4921 CCCCC(C)Sc1ccccc1C(=O)NN 62a_200011215066_100000190081 [0,1,1,0,0,0|2,0,0]=4 2679 B17R1.4921 CCCCC(C)Sc1ccccc1C(=O)OC 62a_100000148710_200011215066 [0,1,1,0,0,0|1,0,0]=3 2680 B17R1.4921 CCCCC(C)Sc1ccccc1C(=O)OC 62a_200011215066_100000148710 [0,1,1,0,0,0|1,0,0]=3 2681 B17R1.4921 CCCCC(C)Sc1ccccc1C(=O)O[Na] 62a_200011215066_114855342371 [0,1,1,0,0,0|1,0,0]=3 2682 B17R1.4921 CCCCC(C)Sc1cccnc1C(=O)OC 62a_100011935214_200011215066 [0,1,1,0,0,0|2,0,0]=4 2683 B17R1.4921 CCCCC(C)Sc1cccnc1C(=O)OC 62a_200011215066_100011935214 [0,1,1,0,0,0|2,0,0]=4 2684 B17R1.4921 CCCCC(C)Sc1ccncc1C(=O)OC 62a_100020629055_200011215066 [0,1,1,0,0,0|2,0,0]=4 2685 B17R1.4921 CCCCC(C)Sc1ccncc1C(=O)OC 62a_200011215066_100020629055 [0,1,1,0,0,0|2,0,0]=4 2686 B17R1.4921 CCCCC(C)Sc1cnccc1C(=O)OC 62a_100010008606_200011215066 [0,1,1,0,0,0|2,0,0]=4 2687 B17R1.4921 CCCCC(C)Sc1cnccc1C(=O)OC 62a_200011215066_100010008606 [0,1,1,0,0,0|2,0,0]=4 2688 B17R1.4921 CCCCC(C)Sc1ncccc1C(=O)OC 62a_100011587185_200011215066 [0,1,1,0,0,0|2,0,0]=4 2689 B17R1.4921 CCCCC(C)Sc1ncccc1C(=O)OC 62a_200011215066_100000150852 [0,1,1,0,0,0|2,0,0]=4 2690 B17R1.4921 CCCCN(C)Cc1ccccc1C(=O)OC 2230a_100000207549_100000744672 [0,1,1,0,0,0|2,0,0]=4 2691 B17R1.4921 CCCCN(C)Cc1ccccc1C(=O)OC 269982a_100000207549_100000744672 [0,1,1,0,0,0|2,0,0]=4 2692 B17R1.9152 CCCCC(C)N(C)c1ccccc1C(=O)N 269982a_100000184419_200011215066 [0,1,1,0,0,0|1,0,0]=3 2693 B17R1.9152 CCCCC(C)N(C)c1ccccc1[N+](=O)[O-] 2230a_100000156515_200011215066 [0,1,1,0,0,0|1,0,1]=4 2694 B17R1.9152 CCCCC(C)N(C)c1ccccc1[N+](=O)[O-] 269982a_100000156515_200011215066 [0,1,1,0,0,0|1,0,1]=4 2695 B17R1.9320 C=C(C)c1cc(ccc1NC(C)CCCC)F 34a_100009961556_200011215066 [0,1,1,0,0,0|2,0,0]=4 2696 B17R1.9320 CCCCC(C)Nc1ccc(cc1C(=O)N)Br 27a_100000126638_200000162314 [0,1,1,0,0,0|1,0,0]=3 2697 B17R1.9320 CCCCC(C)Nc1ccc(cc1C(=O)N)Br 34a_100000740421_200011215066 [0,1,1,0,0,0|1,0,0]=3 2698 B17R1.9320 CCCCC(C)Nc1ccc(cc1C(=O)N)Br 7a_100000740421_200011215066 [0,1,1,0,0,0|1,0,0]=3 2699 B17R1.9320 CCCCC(C)Nc1ccc(cc1C(=O)N)C 34a_100011692829_200011215066 [0,1,1,0,0,0|1,0,0]=3 2700 B17R1.9320 CCCCC(C)Nc1ccc(cc1C(=O)N)Cl 34a_100000743835_200011215066 [0,1,1,0,0,0|1,0,0]=3 2701 B17R1.9320 CCCCC(C)Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_200011215066 [0,1,1,0,0,0|1,0,0]=3 2702 B17R1.9320 CCCCC(C)Nc1ccc(cc1C(=O)N)F 34a_100000741173_200011215066 [0,1,1,0,0,0|1,0,0]=3 2703 B17R1.9320 CCCCC(C)Nc1ccc(cc1C(=O)N)F 7a_100000741173_200011215066 [0,1,1,0,0,0|1,0,0]=3 2704 B17R1.9320 CCCCC(C)Nc1ccc(cc1[N+](=O)[O-])F 34a_100000187532_200011215066 [0,1,1,0,0,0|1,0,1]=4 2705 B17R1.9320 CCCCC(C)Nc1ncc(cc1C(=O)N)F 27a_100000126638_100012183597 [0,1,1,0,0,0|2,0,0]=4 2706 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)C)Br 34a_100000212127_200011215066 [0,1,1,0,0,0|2,0,0]=4 2707 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)C)Br 7a_100000212127_200011215066 [0,1,1,0,0,0|2,0,0]=4 2708 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)C)C 34a_100000195442_200011215066 [0,1,1,0,0,0|2,0,0]=4 2709 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)C)C 7a_100000195442_200011215066 [0,1,1,0,0,0|2,0,0]=4 2710 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)C)Cl 34a_100000185566_200011215066 [0,1,1,0,0,0|2,0,0]=4 2711 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)C)Cl 7a_100000185566_200011215066 [0,1,1,0,0,0|2,0,0]=4 2712 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)C)F 7a_100000182812_200011215066 [0,1,1,0,0,0|2,0,0]=4 2713 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)C)I 7a_100010712555_200011215066 [0,1,1,0,0,0|2,0,0]=4 2714 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)C)N 34a_100011218865_200011215066 [0,1,1,0,0,0|2,0,0]=4 2715 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200011215066 [0,1,1,0,0,0|2,0,0]=4 2716 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200011215066 [0,1,1,0,0,0|2,0,0]=4 2717 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)C 34a_200000192840_200011215066 [0,1,1,0,0,0|2,0,0]=4 2718 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)C 7a_200000192840_200011215066 [0,1,1,0,0,0|2,0,0]=4 2719 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200011215066 [0,1,1,0,0,0|2,0,0]=4 2720 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200011215066 [0,1,1,0,0,0|2,0,0]=4 2721 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)F 34a_100012186459_200011215066 [0,1,1,0,0,0|2,0,0]=4 2722 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)F 7a_100012186459_200011215066 [0,1,1,0,0,0|2,0,0]=4 2723 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)I 34a_100000192813_200011215066 [0,1,1,0,0,0|2,0,0]=4 2724 B17R1.9320 CCCCC(C)Oc1ccc(cc1C(=O)N)I 7a_100000192813_200011215066 [0,1,1,0,0,0|2,0,0]=4 2725 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)C)C 62a_100012361225_200011215066 [0,1,1,0,0,0|2,0,0]=4 2726 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)C)C 62a_200011215066_100012361225 [0,1,1,0,0,0|2,0,0]=4 2727 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)C)F 62a_100012353695_200011215066 [0,1,1,0,0,0|2,0,0]=4 2728 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)C)F 62a_200011215066_100010200798 [0,1,1,0,0,0|2,0,0]=4 2729 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)C)N 62a_100012349454_200011215066 [0,1,1,0,0,0|2,0,0]=4 2730 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)N)Br 62a_200000162314_200011215066 [0,1,1,0,0,0|2,0,0]=4 2731 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)N)C 62a_200011215066_200012349609 [0,1,1,0,0,0|2,0,0]=4 2732 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)N)C 62a_200012349609_200011215066 [0,1,1,0,0,0|2,0,0]=4 2733 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)N)F 62a_100000206434_200011215066 [0,1,1,0,0,0|2,0,0]=4 2734 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)N)F 62a_200011215066_100000206434 [0,1,1,0,0,0|2,0,0]=4 2735 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)N)N 62a_100015186447_200011215066 [0,1,1,0,0,0|2,0,0]=4 2736 B17R1.9320 CCCCC(C)Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200011215066 [0,1,1,0,0,0|1,0,0]=3 2737 B17R1.16418 C=C(C)c1ccccc1NC(C)CCC(C)C 34a_100000037685_100011261404 [0,1,1,0,0,0|2,0,0]=4 2738 B17R1.16418 CC(=O)c1ccccc1SC(C)CCC(C)C 62a_100000751169_100011261404 [0,1,1,0,0,0|2,0,0]=4 2739 B17R1.16418 CC(=O)c1cccnc1NC(C)CCC(C)C 27a_100138410893_100009816689 [0,1,1,0,0,0|2,0,0]=4 2740 B17R1.16418 CC(=O)c1cnccc1NC(C)CCC(C)C 27a_100138410893_100160469449 [0,1,1,0,0,0|2,0,0]=4 2741 B17R1.16418 CC(C)CCC(C)Nc1ccccc1C(=O)N 34a_100000185089_100011261404 [0,1,1,0,0,0|1,0,0]=3 2742 B17R1.16418 CC(C)CCC(C)Nc1ccccc1C(C)O 2230a_100011405641_100011261404 [0,1,1,0,0,0|1,0,1]=4 2743 B17R1.16418 CC(C)CCC(C)Nc1cccnc1C(=O)N 27a_100138410893_200012359670 [0,1,1,0,0,0|2,0,0]=4 2744 B17R1.16418 CC(C)CCC(C)Nc1ccncc1C(=O)N 27a_100138410893_100000697804 [0,1,1,0,0,0|2,0,0]=4 2745 B17R1.16418 CC(C)CCC(C)Nc1ncccc1C(=O)N 27a_100138410893_100000162199 [0,1,1,0,0,0|2,0,0]=4 2746 B17R1.16418 CC(C)CCC(C)Oc1ccccc1C(=O)N 34a_100000192804_100011261404 [0,1,1,0,0,0|2,0,0]=4 2747 B17R1.16418 CC(C)CCC(C)Sc1ccccc1C(=O)N 62a_100000162227_100011261404 [0,1,1,0,0,0|2,0,0]=4 2748 B17R1.16418 CC(C)CCC(C)Sc1ccccc1C(=O)N 62a_100011261404_100000162227 [0,1,1,0,0,0|2,0,0]=4 2749 B17R1.16418 CC(C)CCC(C)Sc1ccccc1C(=O)O 62a_100011261404_100000734275 [0,1,1,0,0,0|1,0,0]=3 2750 B17R1.16418 CC(C)CCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100011261404 [0,1,1,0,0,0|1,0,0]=3 2751 B17R1.17736 CCCCC(CC)Nc1ccccc1C(=O)N 34a_100000185089_200011216223 [0,1,1,0,0,0|1,0,0]=3 2752 B17R1.17736 CCCCC(CC)Oc1ccccc1C(=O)N 34a_100000192804_200011216223 [0,1,1,0,0,0|2,0,0]=4 2753 B17R1.17736 CCCCC(CC)Oc1ccccc1C(=O)N 7a_100000192804_200011216223 [0,1,1,0,0,0|2,0,0]=4 2754 B17R1.17736 CCCCC(CC)Oc1ccccc1C(=O)[O-] 7a_100015234032_200011216223 [0,1,1,0,0,0|1,0,1]=4 2755 B17R1.17736 CCCCC(CC)Sc1ccccc1C(=O)C 62a_100000751169_200011216223 [0,1,1,0,0,0|2,0,0]=4 2756 B17R1.17736 CCCCC(CC)Sc1ccccc1C(=O)N 62a_100000162227_200011216223 [0,1,1,0,0,0|2,0,0]=4 2757 B17R1.17736 CCCCC(CC)Sc1ccccc1C(=O)N 62a_200011216223_100000162227 [0,1,1,0,0,0|2,0,0]=4 2758 B17R1.17736 CCCCC(CC)Sc1ccccc1C(=O)O 62a_200011216223_100000734275 [0,1,1,0,0,0|1,0,0]=3 2759 B17R1.17736 CCCCC(CC)Sc1ccccc1C(=O)O 62a_202125556159_200011216223 [0,1,1,0,0,0|1,0,0]=3 2760 B17R1.17736 CCCC[C@@H](CO)Nc1cccnc1C(=O)N 27a_100011934283_200012359670 [0,1,1,0,0,0|2,0,0]=4 2761 B17R1.17736 CCCC[C@@H](CO)Nc1ccncc1C(=O)C 27a_100011934283_100160469449 [0,1,1,0,0,0|2,0,0]=4 2762 B17R1.17736 CCCC[C@@H](CO)Nc1ccncc1C(=O)N 27a_100011934283_100000697804 [0,1,1,0,0,0|2,0,0]=4 2763 B17R1.17736 CCCC[C@@H](CO)Nc1ncccc1C(=O)C 27a_100011934283_100009816689 [0,1,1,0,0,0|2,0,0]=4 2764 B17R1.17736 CCCC[C@@H](CO)Nc1ncccc1C(=O)N 27a_100011934283_100000162199 [0,1,1,0,0,0|2,0,0]=4 2765 B17R1.24770 CCC(C)CC(C)Nc1cccnc1C(=O)N 27a_100000763565_200012359670 [0,1,1,0,0,0|2,0,0]=4 2766 B17R1.24770 CCC(C)CC(C)Nc1ccncc1C(=O)C 27a_100000763565_100160469449 [0,1,1,0,0,0|2,0,0]=4 2767 B17R1.24770 CCC(C)CC(C)Nc1ccncc1C(=O)N 27a_100000763565_100000697804 [0,1,1,0,0,0|2,0,0]=4 2768 B17R1.24770 CCC(C)CC(C)Nc1ncccc1C(=O)C 27a_100000763565_100009816689 [0,1,1,0,0,0|2,0,0]=4 2769 B17R1.24770 CCC(C)CC(C)Nc1ncccc1C(=O)N 27a_100000763565_100000162199 [0,1,1,0,0,0|2,0,0]=4 2770 B17R1.67188 CCCCC(C)Nc1cccc(c1C(=O)N)C 34a_100102558177_200011215066 [0,1,1,0,0,0|1,0,0]=3 2771 B17R1.67188 CCCCC(C)Nc1cccc(c1C(=O)N)C 7a_100102558177_200011215066 [0,1,1,0,0,0|1,0,0]=3 2772 B17R1.67188 CCCCC(C)Nc1cccc(c1C(=O)N)Cl 34a_100000764435_200011215066 [0,1,1,0,0,0|1,0,0]=3 2773 B17R1.67188 CCCCC(C)Nc1cccc(c1C(=O)N)Cl 7a_100000764435_200011215066 [0,1,1,0,0,0|1,0,0]=3 2774 B17R1.67188 CCCCC(C)Nc1cccc(c1C(=O)N)F 27a_100000126638_100011219063 [0,1,1,0,0,0|1,0,0]=3 2775 B17R1.67188 CCCCC(C)Nc1cccc(c1C(=O)N)F 34a_100000036109_200011215066 [0,1,1,0,0,0|1,0,0]=3 2776 B17R1.67188 CCCCC(C)Nc1cccc(c1C(=O)N)F 7a_100000036109_200011215066 [0,1,1,0,0,0|1,0,0]=3 2777 B17R1.67188 CCCCC(C)Nc1cccc(c1[N+](=O)[O-])C 34a_100011424894_200011215066 [0,1,1,0,0,0|1,0,1]=4 2778 B17R1.67188 CCCCC(C)Nc1cccc(c1[N+](=O)[O-])F 34a_100011219493_200011215066 [0,1,1,0,0,0|1,0,1]=4 2779 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)C)Br 34a_100010174959_200011215066 [0,1,1,0,0,0|2,0,0]=4 2780 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)C)Br 7a_100010174959_200011215066 [0,1,1,0,0,0|2,0,0]=4 2781 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)C)C 34a_100009860897_200011215066 [0,1,1,0,0,0|2,0,0]=4 2782 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)C)C 7a_100009860897_200011215066 [0,1,1,0,0,0|2,0,0]=4 2783 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)C)Cl 34a_100000730630_200011215066 [0,1,1,0,0,0|2,0,0]=4 2784 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)C)Cl 7a_100000730630_200011215066 [0,1,1,0,0,0|2,0,0]=4 2785 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)C)F 34a_100011216272_200011215066 [0,1,1,0,0,0|2,0,0]=4 2786 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)C)F 7a_100011216272_200011215066 [0,1,1,0,0,0|2,0,0]=4 2787 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)N)F 34a_100000701607_200011215066 [0,1,1,0,0,0|2,0,0]=4 2788 B17R1.67188 CCCCC(C)Oc1cccc(c1C(=O)N)F 7a_100000701607_200011215066 [0,1,1,0,0,0|2,0,0]=4 2789 B17R1.67188 CCCCC(C)Sc1cccc(c1C(=O)C)F 62a_100012351873_200011215066 [0,1,1,0,0,0|2,0,0]=4 2790 B17R1.67188 CCCCC(C)Sc1cccc(c1C(=O)N)Cl 62a_100010147686_200011215066 [0,1,1,0,0,0|2,0,0]=4 2791 B17R1.67188 CCCCC(C)Sc1cccc(c1C(=O)N)F 62a_100011219063_200011215066 [0,1,1,0,0,0|2,0,0]=4 2792 B17R1.172150 CCCCC(C)Nc1c(cccc1C(=O)N)C 34a_100000223273_200011215066 [0,1,1,0,0,0|1,0,0]=3 2793 B17R1.172150 CCCCC(C)Nc1c(cccc1C(=O)N)Cl 34a_200011997947_200011215066 [0,1,1,0,0,0|1,0,0]=3 2794 B17R1.172150 CCCCC(C)Nc1c(cccc1C(=O)N)F 34a_100011722151_200011215066 [0,1,1,0,0,0|1,0,0]=3 2795 B17R1.172150 CCCCC(C)Nc1c(cccc1[N+](=O)[O-])F 34a_100000687224_200011215066 [0,1,1,0,0,0|1,0,1]=4 2796 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)C)C 34a_100009847209_200011215066 [0,1,1,0,0,0|2,0,0]=4 2797 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)C)C 7a_100009847209_200011215066 [0,1,1,0,0,0|2,0,0]=4 2798 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)C)Cl 34a_100000043392_200011215066 [0,1,1,0,0,0|2,0,0]=4 2799 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)C)Cl 7a_100000043392_200011215066 [0,1,1,0,0,0|2,0,0]=4 2800 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)C)F 34a_100011246037_200011215066 [0,1,1,0,0,0|2,0,0]=4 2801 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)C)F 7a_100011246037_200011215066 [0,1,1,0,0,0|2,0,0]=4 2802 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200011215066 [0,1,1,0,0,0|2,0,0]=4 2803 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200011215066 [0,1,1,0,0,0|2,0,0]=4 2804 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)N)F 34a_100009886295_200011215066 [0,1,1,0,0,0|2,0,0]=4 2805 B17R1.172150 CCCCC(C)Oc1c(cccc1C(=O)N)F 7a_100009886295_200011215066 [0,1,1,0,0,0|2,0,0]=4 2806 B17R1.172150 CCCCC(C)Sc1c(cccc1C(=O)C)F 62a_100012362612_200011215066 [0,1,1,0,0,0|2,0,0]=4 2807 B17R1.172150 CCCCC(C)Sc1c(cccc1C(=O)C)F 62a_200011215066_100012362612 [0,1,1,0,0,0|2,0,0]=4 2808 B17R1.172150 CCCCC(C)Sc1c(cccc1C(=O)N)C 62a_200011215066_200011409216 [0,1,1,0,0,0|2,0,0]=4 2809 B17R1.172150 CCCCC(C)Sc1c(cccc1C(=O)N)C 62a_200011409216_200011215066 [0,1,1,0,0,0|2,0,0]=4 2810 B17R1.172150 CCCCC(C)Sc1c(cccc1C(=O)N)F 62a_200011215066_200012351544 [0,1,1,0,0,0|2,0,0]=4 2811 B17R1.172150 CCCCC(C)Sc1c(cccc1C(=O)N)F 62a_200012351544_200011215066 [0,1,1,0,0,0|2,0,0]=4 2812 B17R1.6194 CCC(COC)Nc1cc(ccc1C(=O)C)F 27a_100000757820_100000686192 [0,1,1,0,0,0|2,0,0]=4 2813 B17R1.6194 CCC(COC)Nc1cc(ccc1C(=O)N)Br 27a_100000757820_100009815748 [0,1,1,0,0,0|2,0,0]=4 2814 B17R1.6194 CCC(COC)Nc1cc(ccc1C(=O)N)F 27a_100000757820_100000206404 [0,1,1,0,0,0|2,0,0]=4 2815 B17R1.6194 CCCC(CC)Nc1cc(ccc1C(=O)C)F 27a_100000747048_100000686192 [0,1,1,0,0,0|1,0,0]=3 2816 B17R1.6194 CCCC(CC)Nc1cc(ccc1C(=O)N)Br 27a_100000747048_100009815748 [0,1,1,0,0,0|1,0,0]=3 2817 B17R1.6194 CCCC(CC)Nc1cc(ccc1C(=O)N)Br 7a_100012349972_100011219200 [0,1,1,0,0,0|1,0,0]=3 2818 B17R1.6194 CCCC(CC)Nc1cc(ccc1C(=O)N)C 7a_100011219537_100011219200 [0,1,1,0,0,0|1,0,0]=3 2819 B17R1.6194 CCCC(CC)Nc1cc(ccc1C(=O)N)Cl 7a_100000738103_100011219200 [0,1,1,0,0,0|1,0,0]=3 2820 B17R1.6194 CCCC(CC)Nc1cc(ccc1C(=O)N)F 27a_100000747048_100000206404 [0,1,1,0,0,0|1,0,0]=3 2821 B17R1.6194 CCCC(CC)Nc1nc(ccc1C(=O)N)C 27a_100000747048_100000041523 [0,1,1,0,0,0|2,0,0]=4 2822 B17R1.6194 CCCC(CC)Oc1cc(ccc1C(=O)C)Br 7a_100000188348_100011219200 [0,1,1,0,0,0|2,0,0]=4 2823 B17R1.6194 CCCC(CC)Oc1cc(ccc1C(=O)C)C 7a_100000234885_100011219200 [0,1,1,0,0,0|2,0,0]=4 2824 B17R1.6194 CCCC(CC)Oc1cc(ccc1C(=O)C)Cl 7a_100000061402_100011219200 [0,1,1,0,0,0|2,0,0]=4 2825 B17R1.6194 CCCC(CC)Oc1cc(ccc1C(=O)C)F 7a_100011215782_100011219200 [0,1,1,0,0,0|2,0,0]=4 2826 B17R1.6194 CCCC(CC)Oc1cc(ccc1C(=O)N)Br 7a_100011550861_100011219200 [0,1,1,0,0,0|2,0,0]=4 2827 B17R1.6194 CCCC(CC)Oc1cc(ccc1C(=O)N)C 7a_100000192831_100011219200 [0,1,1,0,0,0|2,0,0]=4 2828 B17R1.6194 CCCC(CC)Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_100011219200 [0,1,1,0,0,0|2,0,0]=4 2829 B17R1.6194 CCCC(CC)Oc1cc(ccc1C(=O)N)N 7a_100000223280_100011219200 [0,1,1,0,0,0|2,0,0]=4 2830 B17R1.6194 CCCC(CC)Sc1cc(ccc1C(=O)C)C 62a_100011219200_100012353930 [0,1,1,0,0,0|2,0,0]=4 2831 B17R1.6194 CCCC(CC)Sc1cc(ccc1C(=O)C)C 62a_100012353930_100011219200 [0,1,1,0,0,0|2,0,0]=4 2832 B17R1.6194 CCCC(CC)Sc1cc(ccc1C(=O)C)F 62a_100000686192_100011219200 [0,1,1,0,0,0|2,0,0]=4 2833 B17R1.6194 CCCC(CC)Sc1cc(ccc1C(=O)C)O 62a_100012340537_100011219200 [0,1,1,0,0,0|2,0,0]=4 2834 B17R1.6194 CCCC(CC)Sc1cc(ccc1C(=O)N)Br 62a_100009815748_100011219200 [0,1,1,0,0,0|2,0,0]=4 2835 B17R1.6194 CCCC(CC)Sc1cc(ccc1C(=O)N)F 62a_100000206404_100011219200 [0,1,1,0,0,0|2,0,0]=4 2836 B17R1.6194 CCCC(CC)Sc1cc(ccc1C(=O)N)F 62a_100011219200_100000206404 [0,1,1,0,0,0|2,0,0]=4 2837 B17R1.6194 CCC[C@@H](CO)Nc1cc(ccc1C(=O)C)F 27a_100000732646_100000686192 [0,1,1,0,0,0|2,0,0]=4 2838 B17R1.6194 CCC[C@@H](CO)Nc1cc(ccc1C(=O)N)Br 27a_100000732646_100009815748 [0,1,1,0,0,0|2,0,0]=4 2839 B17R1.6194 CCC[C@@H](CO)Nc1cc(ccc1C(=O)N)F 27a_100000732646_100000206404 [0,1,1,0,0,0|2,0,0]=4 2840 B17R1.6219 CCCC(CC)Nc1ccccc1C(C)(C)O 7a_100000081495_100011219200 [0,1,1,0,0,0|1,0,1]=4 2841 B17R1.6219 CCCC(CC)Nc1ccccc1S(=O)(=O)C 7a_100000241000_100011219200 [0,1,1,0,0,0|1,0,1]=4 2842 B17R1.6220 CCC(COC)Nc1ccccc1C(=O)NC 27a_100000757820_100000155073 [0,1,1,0,0,0|2,0,0]=4 2843 B17R1.6220 CCC(COC)Nc1ncccc1C(=O)OC 27a_100000757820_100000150852 [0,1,1,0,0,0|2,0,0]=4 2844 B17R1.6220 CCCC(CC)Nc1ccccc1C(=O)NC 27a_100000747048_100000155073 [0,1,1,0,0,0|1,0,0]=3 2845 B17R1.6220 CCCC(CC)Nc1ncccc1C(=O)NC 27a_100000747048_100000159833 [0,1,1,0,0,0|2,0,0]=4 2846 B17R1.6220 CCCC(CC)Nc1ncccc1C(=O)OC 27a_100000747048_100000150852 [0,1,1,0,0,0|1,0,0]=3 2847 B17R1.6220 CCCC(CC)Nc1nccnc1C(=O)OC 27a_100000747048_100000079898 [0,1,1,0,0,0|2,0,0]=4 2848 B17R1.6220 CCCC(CC)Nc1ncncc1C(=O)OC 27a_100000747048_100000726419 [0,1,1,0,0,0|2,0,0]=4 2849 B17R1.6220 CCCC(CC)Oc1ccccc1C(=O)CBr 7a_100000188908_100011219200 [0,1,1,0,0,0|2,0,0]=4 2850 B17R1.6220 CCCC(CC)Oc1ccccc1C(=O)CC 7a_100000184720_100011219200 [0,1,1,0,0,0|2,0,0]=4 2851 B17R1.6220 CCCC(CC)Oc1ccccc1C(=O)NC 7a_100000185920_100011219200 [0,1,1,0,0,0|2,0,0]=4 2852 B17R1.6220 CCCC(CC)Oc1ccccc1C(=O)OC 7a_100000150335_100011219200 [0,1,1,0,0,0|1,0,0]=3 2853 B17R1.6220 CCCC(CC)Oc1cccnc1C(=O)OC 7a_100000744052_100011219200 [0,1,1,0,0,0|2,0,0]=4 2854 B17R1.6220 CCCC(CC)Sc1ccccc1C(=O)NC 62a_100000155073_100011219200 [0,1,1,0,0,0|2,0,0]=4 2855 B17R1.6220 CCCC(CC)Sc1ccccc1C(=O)NC 62a_100011219200_100000155073 [0,1,1,0,0,0|2,0,0]=4 2856 B17R1.6220 CCCC(CC)Sc1ccccc1C(=O)NN 62a_100000190081_100011219200 [0,1,1,0,0,0|2,0,0]=4 2857 B17R1.6220 CCCC(CC)Sc1ccccc1C(=O)NN 62a_100011219200_100000190081 [0,1,1,0,0,0|2,0,0]=4 2858 B17R1.6220 CCCC(CC)Sc1ccccc1C(=O)OC 62a_100000148710_100011219200 [0,1,1,0,0,0|1,0,0]=3 2859 B17R1.6220 CCCC(CC)Sc1ccccc1C(=O)OC 62a_100011219200_100000148710 [0,1,1,0,0,0|1,0,0]=3 2860 B17R1.6220 CCCC(CC)Sc1ccccc1C(=O)O[Na] 62a_100011219200_114855342371 [0,1,1,0,0,0|1,0,0]=3 2861 B17R1.6220 CCCC(CC)Sc1cccnc1C(=O)OC 62a_100011219200_100011935214 [0,1,1,0,0,0|2,0,0]=4 2862 B17R1.6220 CCCC(CC)Sc1cccnc1C(=O)OC 62a_100011935214_100011219200 [0,1,1,0,0,0|2,0,0]=4 2863 B17R1.6220 CCCC(CC)Sc1ccncc1C(=O)OC 62a_100011219200_100020629055 [0,1,1,0,0,0|2,0,0]=4 2864 B17R1.6220 CCCC(CC)Sc1ccncc1C(=O)OC 62a_100020629055_100011219200 [0,1,1,0,0,0|2,0,0]=4 2865 B17R1.6220 CCCC(CC)Sc1cnccc1C(=O)OC 62a_100010008606_100011219200 [0,1,1,0,0,0|2,0,0]=4 2866 B17R1.6220 CCCC(CC)Sc1cnccc1C(=O)OC 62a_100011219200_100010008606 [0,1,1,0,0,0|2,0,0]=4 2867 B17R1.6220 CCCC(CC)Sc1ncccc1C(=O)OC 62a_100011219200_100000150852 [0,1,1,0,0,0|2,0,0]=4 2868 B17R1.6220 CCCC(CC)Sc1ncccc1C(=O)OC 62a_100011587185_100011219200 [0,1,1,0,0,0|2,0,0]=4 2869 B17R1.6220 CCCN(CC)Cc1ccccc1C(=O)OC 2230a_100000226822_100000744672 [0,1,1,0,0,0|2,0,0]=4 2870 B17R1.6220 CCCN(CC)Cc1ccccc1C(=O)OC 269982a_100000226822_100000744672 [0,1,1,0,0,0|2,0,0]=4 2871 B17R1.6220 CCC[C@@H](CO)Nc1ccccc1C(=O)NC 27a_100000732646_100000155073 [0,1,1,0,0,0|2,0,0]=4 2872 B17R1.6220 CCC[C@@H](CO)Nc1ncccc1C(=O)OC 27a_100000732646_100000150852 [0,1,1,0,0,0|2,0,0]=4 2873 B17R1.17931 CCCC(CC)N(C)c1ccccc1C(=O)N 269982a_100000184419_100011219200 [0,1,1,0,0,0|1,0,0]=3 2874 B17R1.17931 CCCC(CC)N(C)c1ccccc1[N+](=O)[O-] 269982a_100000156515_100011219200 [0,1,1,0,0,0|1,0,1]=4 2875 B17R1.18327 CCCC(CCC)Nc1ccccc1C(=O)N 34a_100000185089_200011218217 [0,1,1,0,0,0|1,0,0]=3 2876 B17R1.18327 CCCC(CCC)Nc1cccnc1C(=O)N 27a_100011207992_200012359670 [0,1,1,0,0,0|2,0,0]=4 2877 B17R1.18327 CCCC(CCC)Nc1ccncc1C(=O)C 27a_100011207992_100160469449 [0,1,1,0,0,0|2,0,0]=4 2878 B17R1.18327 CCCC(CCC)Nc1ccncc1C(=O)N 27a_100011207992_100000697804 [0,1,1,0,0,0|2,0,0]=4 2879 B17R1.18327 CCCC(CCC)Nc1ncccc1C(=O)C 27a_100011207992_100009816689 [0,1,1,0,0,0|2,0,0]=4 2880 B17R1.18327 CCCC(CCC)Nc1ncccc1C(=O)N 27a_100011207992_100000162199 [0,1,1,0,0,0|2,0,0]=4 2881 B17R1.18327 CCCC(CCC)Oc1ccccc1C(=O)N 34a_100000192804_200011218217 [0,1,1,0,0,0|2,0,0]=4 2882 B17R1.18327 CCCC(CCC)Oc1ccccc1C(=O)N 7a_100000192804_200011218217 [0,1,1,0,0,0|2,0,0]=4 2883 B17R1.18327 CCCC(CCC)Oc1ccccc1C(=O)[O-] 7a_100015234032_200011218217 [0,1,1,0,0,0|1,0,1]=4 2884 B17R1.18327 CCCC(CCC)Sc1ccccc1C(=O)C 62a_100000751169_200011218217 [0,1,1,0,0,0|2,0,0]=4 2885 B17R1.18327 CCCC(CCC)Sc1ccccc1C(=O)N 62a_100000162227_200011218217 [0,1,1,0,0,0|2,0,0]=4 2886 B17R1.18327 CCCC(CCC)Sc1ccccc1C(=O)N 62a_200011218217_100000162227 [0,1,1,0,0,0|2,0,0]=4 2887 B17R1.18327 CCCC(CCC)Sc1ccccc1C(=O)O 62a_200011218217_100000734275 [0,1,1,0,0,0|1,0,0]=3 2888 B17R1.18327 CCCC(CCC)Sc1ccccc1C(=O)O 62a_202125556159_200011218217 [0,1,1,0,0,0|1,0,0]=3 2889 B17R1.18327 CCC[C@@H](CCO)Nc1cccnc1C(=O)N 27a_100015193777_200012359670 [0,1,1,0,0,0|2,0,0]=4 2890 B17R1.18327 CCC[C@@H](CCO)Nc1ccncc1C(=O)C 27a_100015193777_100160469449 [0,1,1,0,0,0|2,0,0]=4 2891 B17R1.18327 CCC[C@@H](CCO)Nc1ccncc1C(=O)N 27a_100015193777_100000697804 [0,1,1,0,0,0|2,0,0]=4 2892 B17R1.18327 CCC[C@@H](CCO)Nc1ncccc1C(=O)C 27a_100015193777_100009816689 [0,1,1,0,0,0|2,0,0]=4 2893 B17R1.18327 CCC[C@@H](CCO)Nc1ncccc1C(=O)N 27a_100015193777_100000162199 [0,1,1,0,0,0|2,0,0]=4 2894 B17R1.31039 CCC(COC)Nc1ccc(cc1C(=O)N)Br 27a_100000757820_200000162314 [0,1,1,0,0,0|2,0,0]=4 2895 B17R1.31039 CCCC(CC)Nc1ccc(cc1C(=O)N)Br 27a_100000747048_200000162314 [0,1,1,0,0,0|1,0,0]=3 2896 B17R1.31039 CCCC(CC)Nc1ccc(cc1C(=O)N)Br 7a_100000740421_100011219200 [0,1,1,0,0,0|1,0,0]=3 2897 B17R1.31039 CCCC(CC)Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_100011219200 [0,1,1,0,0,0|1,0,0]=3 2898 B17R1.31039 CCCC(CC)Nc1ccc(cc1C(=O)N)F 7a_100000741173_100011219200 [0,1,1,0,0,0|1,0,0]=3 2899 B17R1.31039 CCCC(CC)Nc1ncc(cc1C(=O)N)F 27a_100000747048_100012183597 [0,1,1,0,0,0|2,0,0]=4 2900 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)C)Br 7a_100000212127_100011219200 [0,1,1,0,0,0|2,0,0]=4 2901 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)C)C 7a_100000195442_100011219200 [0,1,1,0,0,0|2,0,0]=4 2902 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)C)Cl 7a_100000185566_100011219200 [0,1,1,0,0,0|2,0,0]=4 2903 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)C)F 7a_100000182812_100011219200 [0,1,1,0,0,0|2,0,0]=4 2904 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)C)I 7a_100010712555_100011219200 [0,1,1,0,0,0|2,0,0]=4 2905 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)N)Br 7a_100000192807_100011219200 [0,1,1,0,0,0|2,0,0]=4 2906 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)N)C 7a_200000192840_100011219200 [0,1,1,0,0,0|2,0,0]=4 2907 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_100011219200 [0,1,1,0,0,0|2,0,0]=4 2908 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)N)F 7a_100012186459_100011219200 [0,1,1,0,0,0|2,0,0]=4 2909 B17R1.31039 CCCC(CC)Oc1ccc(cc1C(=O)N)I 7a_100000192813_100011219200 [0,1,1,0,0,0|2,0,0]=4 2910 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)C)C 62a_100011219200_100012361225 [0,1,1,0,0,0|2,0,0]=4 2911 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)C)C 62a_100012361225_100011219200 [0,1,1,0,0,0|2,0,0]=4 2912 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)C)F 62a_100011219200_100010200798 [0,1,1,0,0,0|2,0,0]=4 2913 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)C)F 62a_100012353695_100011219200 [0,1,1,0,0,0|2,0,0]=4 2914 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)C)N 62a_100012349454_100011219200 [0,1,1,0,0,0|2,0,0]=4 2915 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)N)Br 62a_200000162314_100011219200 [0,1,1,0,0,0|2,0,0]=4 2916 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)N)C 62a_100011219200_200012349609 [0,1,1,0,0,0|2,0,0]=4 2917 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)N)C 62a_200012349609_100011219200 [0,1,1,0,0,0|2,0,0]=4 2918 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)N)F 62a_100000206434_100011219200 [0,1,1,0,0,0|2,0,0]=4 2919 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)N)F 62a_100011219200_100000206434 [0,1,1,0,0,0|2,0,0]=4 2920 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)N)N 62a_100015186447_100011219200 [0,1,1,0,0,0|2,0,0]=4 2921 B17R1.31039 CCCC(CC)Sc1ccc(cc1C(=O)O)Br 62a_100011072988_100011219200 [0,1,1,0,0,0|1,0,0]=3 2922 B17R1.31039 CCC[C@@H](CO)Nc1ccc(cc1C(=O)N)Br 27a_100000732646_200000162314 [0,1,1,0,0,0|2,0,0]=4 2923 B17R1.72915 CCCC(CC)Oc1c(cccc1C(=O)C)C 7a_100009847209_100011219200 [0,1,1,0,0,0|2,0,0]=4 2924 B17R1.72915 CCCC(CC)Oc1c(cccc1C(=O)C)Cl 7a_100000043392_100011219200 [0,1,1,0,0,0|2,0,0]=4 2925 B17R1.72915 CCCC(CC)Oc1c(cccc1C(=O)C)F 7a_100011246037_100011219200 [0,1,1,0,0,0|2,0,0]=4 2926 B17R1.72915 CCCC(CC)Oc1c(cccc1C(=O)N)Cl 7a_100009868166_100011219200 [0,1,1,0,0,0|2,0,0]=4 2927 B17R1.72915 CCCC(CC)Oc1c(cccc1C(=O)N)F 7a_100009886295_100011219200 [0,1,1,0,0,0|2,0,0]=4 2928 B17R1.72915 CCCC(CC)Sc1c(cccc1C(=O)C)F 62a_100011219200_100012362612 [0,1,1,0,0,0|2,0,0]=4 2929 B17R1.72915 CCCC(CC)Sc1c(cccc1C(=O)C)F 62a_100012362612_100011219200 [0,1,1,0,0,0|2,0,0]=4 2930 B17R1.72915 CCCC(CC)Sc1c(cccc1C(=O)N)C 62a_100011219200_200011409216 [0,1,1,0,0,0|2,0,0]=4 2931 B17R1.72915 CCCC(CC)Sc1c(cccc1C(=O)N)C 62a_200011409216_100011219200 [0,1,1,0,0,0|2,0,0]=4 2932 B17R1.72915 CCCC(CC)Sc1c(cccc1C(=O)N)F 62a_100011219200_200012351544 [0,1,1,0,0,0|2,0,0]=4 2933 B17R1.72915 CCCC(CC)Sc1c(cccc1C(=O)N)F 62a_200012351544_100011219200 [0,1,1,0,0,0|2,0,0]=4 2934 B17R1.111029 CCCC(C)(CC)Oc1ccccc1C(=O)N 7a_100000192804_200000040151 [0,1,1,0,0,0|2,0,0]=4 2935 B17R1.111029 CCCC(C)(CC)Oc1ccccc1C(=O)[O-] 7a_100015234032_200000040151 [0,1,1,0,0,0|1,0,1]=4 2936 B17R1.111029 CCCC(C)(CC)Sc1ccccc1C(=O)C 62a_100000751169_200000040151 [0,1,1,0,0,0|2,0,0]=4 2937 B17R1.111029 CCCC(C)(CC)Sc1ccccc1C(=O)N 62a_100000162227_200000040151 [0,1,1,0,0,0|2,0,0]=4 2938 B17R1.111029 CCCC(C)(CC)Sc1ccccc1C(=O)N 62a_200000040151_100000162227 [0,1,1,0,0,0|2,0,0]=4 2939 B17R1.111029 CCCC(C)(CC)Sc1ccccc1C(=O)O 62a_200000040151_100000734275 [0,1,1,0,0,0|1,0,0]=3 2940 B17R1.111029 CCCC(C)(CC)Sc1ccccc1C(=O)O 62a_202125556159_200000040151 [0,1,1,0,0,0|1,0,0]=3 2941 B17R1.174715 CCC(COC)Nc1cccc(c1C(=O)N)F 27a_100000757820_100011219063 [0,1,1,0,0,0|2,0,0]=4 2942 B17R1.174715 CCCC(CC)Nc1cccc(c1C(=O)N)C 7a_100102558177_100011219200 [0,1,1,0,0,0|1,0,0]=3 2943 B17R1.174715 CCCC(CC)Nc1cccc(c1C(=O)N)Cl 7a_100000764435_100011219200 [0,1,1,0,0,0|1,0,0]=3 2944 B17R1.174715 CCCC(CC)Nc1cccc(c1C(=O)N)F 27a_100000747048_100011219063 [0,1,1,0,0,0|1,0,0]=3 2945 B17R1.174715 CCCC(CC)Nc1cccc(c1C(=O)N)F 7a_100000036109_100011219200 [0,1,1,0,0,0|1,0,0]=3 2946 B17R1.174715 CCCC(CC)Oc1cccc(c1C(=O)C)Br 7a_100010174959_100011219200 [0,1,1,0,0,0|2,0,0]=4 2947 B17R1.174715 CCCC(CC)Oc1cccc(c1C(=O)C)C 7a_100009860897_100011219200 [0,1,1,0,0,0|2,0,0]=4 2948 B17R1.174715 CCCC(CC)Oc1cccc(c1C(=O)C)Cl 7a_100000730630_100011219200 [0,1,1,0,0,0|2,0,0]=4 2949 B17R1.174715 CCCC(CC)Oc1cccc(c1C(=O)C)F 7a_100011216272_100011219200 [0,1,1,0,0,0|2,0,0]=4 2950 B17R1.174715 CCCC(CC)Oc1cccc(c1C(=O)N)F 7a_100000701607_100011219200 [0,1,1,0,0,0|2,0,0]=4 2951 B17R1.174715 CCCC(CC)Sc1cccc(c1C(=O)C)F 62a_100012351873_100011219200 [0,1,1,0,0,0|2,0,0]=4 2952 B17R1.174715 CCCC(CC)Sc1cccc(c1C(=O)N)Cl 62a_100010147686_100011219200 [0,1,1,0,0,0|2,0,0]=4 2953 B17R1.174715 CCCC(CC)Sc1cccc(c1C(=O)N)F 62a_100011219063_100011219200 [0,1,1,0,0,0|2,0,0]=4 2954 B17R1.174715 CCC[C@@H](CO)Nc1cccc(c1C(=O)N)F 27a_100000732646_100011219063 [0,1,1,0,0,0|2,0,0]=4 2955 B17R2.29 COc1c(cccc1NC2CCCCC2)Br 34a_100011935253_100000210327 [1,1,0,0,0,0|2,0,0]=4 2956 B17R2.29 COc1c(cccc1NC2CCCCC2)C 34a_100012017360_100000210327 [1,1,0,0,0,0|2,0,0]=4 2957 B17R2.29 COc1c(cccc1NC2CCCCC2)Cl 34a_100000743799_100000210327 [1,1,0,0,0,0|2,0,0]=4 2958 B17R2.29 COc1c(cccc1NC2CCCCC2)F 34a_100011215007_100000210327 [1,1,0,0,0,0|2,0,0]=4 2959 B17R2.29 Cc1cccc(c1C#N)NC2CCCCC2 34a_100000763283_100000210327 [1,1,0,0,0,0|1,0,1]=4 2960 B17R2.29 Cc1cccc(c1C#N)NC2CCCCC2 7a_100000763283_100000210327 [1,1,0,0,0,0|1,0,1]=4 2961 B17R2.29 Cc1cccc(c1C=O)SC2CCCCC2 62a_100000041122_100000210327 [1,1,0,0,0,0|1,0,0]=3 2962 B17R2.29 Cc1cccc(c1C=O)SC2CCCCC2 62a_100000210327_100000041122 [1,1,0,0,0,0|1,0,0]=3 2963 B17R2.29 Cc1cccc(c1C=O)SC2CCCOC2 62a_100000041122_100000693364 [1,1,0,0,0,0|2,0,0]=4 2964 B17R2.29 Cc1cccc(c1C=O)SC2CCOCC2 62a_100000041122_100011324220 [1,1,0,0,0,0|2,0,0]=4 2965 B17R2.29 Cc1cccc(c1C=O)SC2CCSCC2 62a_100000041122_100000069128 [1,1,0,0,0,0|2,0,0]=4 2966 B17R2.29 Cc1cccc(c1CO)OC2CCCCC2 34a_200009874777_100000210327 [1,1,0,0,0,0|1,0,1]=4 2967 B17R2.29 Cc1cccc(c1CO)OC2CCCCC2 7a_200009874777_100000210327 [1,1,0,0,0,0|1,0,1]=4 2968 B17R2.29 N#Cc1c(cccc1NC2CCCCC2)Br 27a_100000182618_100010071968 [1,1,0,0,0,0|1,0,1]=4 2969 B17R2.29 N#Cc1c(cccc1NC2CCCCC2)Br 7a_100011935054_100000210327 [1,1,0,0,0,0|1,0,1]=4 2970 B17R2.29 N#Cc1c(cccc1NC2CCCCC2)Cl 27a_100000182618_200000049503 [1,1,0,0,0,0|1,0,1]=4 2971 B17R2.29 N#Cc1c(cccc1NC2CCCCC2)Cl 7a_100000236969_100000210327 [1,1,0,0,0,0|1,0,1]=4 2972 B17R2.29 N#Cc1c(cccc1NC2CCCCC2)F 27a_100000182618_100000039607 [1,1,0,0,0,0|1,0,1]=4 2973 B17R2.29 N#Cc1c(cccc1NC2CCCCC2)F 34a_100000236971_100000210327 [1,1,0,0,0,0|1,0,1]=4 2974 B17R2.29 N#Cc1c(cccc1NC2CCCCC2)F 7a_100000236971_100000210327 [1,1,0,0,0,0|1,0,1]=4 2975 B17R2.29 Nc1cccc(c1C=O)SC2CCCCC2 62a_100010232536_100000210327 [1,1,0,0,0,0|1,0,0]=3 2976 B17R2.29 Nc1cccc(c1C=O)SC2CCCOC2 62a_100010232536_100000693364 [1,1,0,0,0,0|2,0,0]=4 2977 B17R2.29 Nc1cccc(c1C=O)SC2CCOCC2 62a_100010232536_100011324220 [1,1,0,0,0,0|2,0,0]=4 2978 B17R2.29 Nc1cccc(c1C=O)SC2CCSCC2 62a_100010232536_100000069128 [1,1,0,0,0,0|2,0,0]=4 2979 B17R2.29 Nc1cccc(c1CO)SC2CCCCC2 62a_100000210327_100000747656 [1,1,0,0,0,0|1,0,1]=4 2980 B17R2.29 Nc1cccc(c1CO)SC2CCCCC2 62a_100000747656_100000210327 [1,1,0,0,0,0|1,0,1]=4 2981 B17R2.29 Nc1ccnc(c1C=O)SC2CCCCC2 62a_100000050385_100000210327 [1,1,0,0,0,0|2,0,0]=4 2982 B17R2.29 Nc1ccnc(c1C=O)SC2CCCCC2 62a_100000210327_100000050385 [1,1,0,0,0,0|2,0,0]=4 2983 B17R2.29 Nc1nccc(c1C=O)SC2CCCCC2 62a_100009843235_100000210327 [1,1,0,0,0,0|2,0,0]=4 2984 B17R2.29 O=Cc1c(cccc1SC2CCCCC2)Cl 62a_100000210327_100010147682 [1,1,0,0,0,0|1,0,0]=3 2985 B17R2.29 O=Cc1c(cccc1SC2CCCCC2)Cl 62a_100010147682_100000210327 [1,1,0,0,0,0|1,0,0]=3 2986 B17R2.29 O=Cc1c(cccc1SC2CCCCC2)F 62a_100000210083_100000210327 [1,1,0,0,0,0|1,0,0]=3 2987 B17R2.29 O=Cc1c(cccc1SC2CCCCC2)F 62a_100000210327_100000210083 [1,1,0,0,0,0|1,0,0]=3 2988 B17R2.29 O=Cc1c(cccc1SC2CCCCC2)O 62a_100000210327_100010193437 [1,1,0,0,0,0|1,0,0]=3 2989 B17R2.29 O=Cc1c(cccc1SC2CCCOC2)Cl 62a_100010147682_100000693364 [1,1,0,0,0,0|2,0,0]=4 2990 B17R2.29 O=Cc1c(cccc1SC2CCCOC2)F 62a_100000210083_100000693364 [1,1,0,0,0,0|2,0,0]=4 2991 B17R2.29 O=Cc1c(cccc1SC2CCOCC2)Cl 62a_100010147682_100011324220 [1,1,0,0,0,0|2,0,0]=4 2992 B17R2.29 O=Cc1c(cccc1SC2CCOCC2)F 62a_100000210083_100011324220 [1,1,0,0,0,0|2,0,0]=4 2993 B17R2.29 O=Cc1c(cccc1SC2CCSCC2)Cl 62a_100010147682_100000069128 [1,1,0,0,0,0|2,0,0]=4 2994 B17R2.29 O=Cc1c(cccc1SC2CCSCC2)F 62a_100000210083_100000069128 [1,1,0,0,0,0|2,0,0]=4 2995 B17R2.29 O=Cc1c(ccnc1Cl)SC2CCCCC2 62a_100000047006_100000210327 [1,1,0,0,0,0|2,0,0]=4 2996 B17R2.29 O=Cc1c(ccnc1Cl)SC2CCCCC2 62a_100000210327_100000047006 [1,1,0,0,0,0|2,0,0]=4 2997 B17R2.29 O=Cc1c(ccnc1F)NC2CCCCC2 27a_100000182618_100009877353 [1,1,0,0,0,0|1,0,0]=3 2998 B17R2.29 O=Cc1c(ccnc1F)NC2CCCOC2 27a_100000719290_100009877353 [1,1,0,0,0,0|2,0,0]=4 2999 B17R2.29 O=Cc1c(ccnc1F)NC2CCOCC2 27a_100000741149_100009877353 [1,1,0,0,0,0|2,0,0]=4 3000 B17R2.29 O=Cc1c(ccnc1F)NC2CCSCC2 27a_100000748639_100009877353 [1,1,0,0,0,0|2,0,0]=4 3001 B17R2.29 O=Cc1c(ccnc1F)SC2CCCCC2 62a_100000210327_100009828249 [1,1,0,0,0,0|2,0,0]=4 3002 B17R2.29 O=Cc1c(ccnc1F)SC2CCCCC2 62a_100009828249_100000210327 [1,1,0,0,0,0|2,0,0]=4 3003 B17R2.29 O=Cc1c(ccnc1SC2CCCCC2)O 62a_200010729673_100000210327 [1,1,0,0,0,0|2,0,0]=4 3004 B17R2.29 O=Cc1c(cncc1SC2CCCCC2)F 62a_100000210327_100010064882 [1,1,0,0,0,0|2,0,0]=4 3005 B17R2.29 O=Cc1c(cncc1SC2CCCCC2)F 62a_100010064882_100000210327 [1,1,0,0,0,0|2,0,0]=4 3006 B17R2.29 OCc1c(cccc1NC2CCCCC2)Br 34a_100000747656_100000210327 [1,1,0,0,0,0|0,0,1]=3 3007 B17R2.29 OCc1c(cccc1NC2CCCCC2)Cl 34a_100011916388_100000210327 [1,1,0,0,0,0|0,0,1]=3 3008 B17R2.29 OCc1c(cccc1NC2CCCCC2)F 34a_100011846719_100000210327 [1,1,0,0,0,0|0,0,1]=3 3009 B17R2.29 OCc1c(cccc1NC2CCCOC2)Br 34a_100000747656_100000693364 [1,1,0,0,0,0|1,0,1]=4 3010 B17R2.29 OCc1c(cccc1NC2CCCOC2)Cl 34a_100011916388_100000693364 [1,1,0,0,0,0|1,0,1]=4 3011 B17R2.29 OCc1c(cccc1NC2CCCOC2)F 34a_100011846719_100000693364 [1,1,0,0,0,0|1,0,1]=4 3012 B17R2.29 OCc1c(cccc1NC2CCSCC2)Br 34a_100000747656_100000069128 [1,1,0,0,0,0|1,0,1]=4 3013 B17R2.29 OCc1c(cccc1NC2CCSCC2)Cl 34a_100011916388_100000069128 [1,1,0,0,0,0|1,0,1]=4 3014 B17R2.29 OCc1c(cccc1NC2CCSCC2)F 34a_100011846719_100000069128 [1,1,0,0,0,0|1,0,1]=4 3015 B17R2.29 OCc1c(cccc1SC2CCCCC2)F 62a_100000210327_100012355691 [1,1,0,0,0,0|1,0,1]=4 3016 B17R2.29 OCc1c(cccc1SC2CCCCC2)F 62a_100012355691_100000210327 [1,1,0,0,0,0|1,0,1]=4 3017 B17R2.87 C/C=C/c1ccccc1OC2CCCCC2 34a_200000189419_100000210327 [1,1,0,0,0,0|2,0,0]=4 3018 B17R2.87 C/C=C/c1ccccc1OC2CCCCC2 7a_200000189419_100000210327 [1,1,0,0,0,0|2,0,0]=4 3019 B17R2.87 C=C=Cc1ccccc1OC2CCCCC2 271570a_100015277604_200011235867 [1,1,0,0,0,0|2,0,0]=4 3020 B17R2.87 C=CCc1ccccc1NC2CCCCC2 34a_200138433279_100000210327 [1,1,0,0,0,0|1,0,0]=3 3021 B17R2.87 C=CCc1ccccc1NC2CCCOC2 34a_200138433279_100000693364 [1,1,0,0,0,0|2,0,0]=4 3022 B17R2.87 C=CCc1ccccc1NC2CCSCC2 34a_200138433279_100000069128 [1,1,0,0,0,0|2,0,0]=4 3023 B17R2.87 C=CCc1ccccc1OC2CCCCC2 34a_100000211836_100000210327 [1,1,0,0,0,0|2,0,0]=4 3024 B17R2.87 C=CCc1ccccc1OC2CCCCC2 7a_100000211836_100000210327 [1,1,0,0,0,0|2,0,0]=4 3025 B17R2.87 C=CCc1ccccc1SC2CCCCC2 62a_100000210327_100009828059 [1,1,0,0,0,0|2,0,0]=4 3026 B17R2.87 C=CCc1ccccc1SC2CCCCC2 62a_100009828059_100000210327 [1,1,0,0,0,0|2,0,0]=4 3027 B17R2.87 CC=Cc1ccccc1OC2CCCCC2 271570a_100016259895_200011235867 [1,1,0,0,0,0|2,0,0]=4 3028 B17R2.87 CCCc1ccccc1NC2CCCCC2 34a_100000737634_100000210327 [1,1,0,0,0,0|1,0,1]=4 3029 B17R2.87 CCCc1ccccc1NC2CCCCC2 7a_100000737634_100000210327 [1,1,0,0,0,0|1,0,1]=4 3030 B17R2.87 CCOc1ccccc1NC2CCCCC2 34a_100000211218_100000210327 [1,1,0,0,0,0|1,0,1]=4 3031 B17R2.87 CCSc1ccccc1NC2CCCCC2 34a_100011223125_100000210327 [1,1,0,0,0,0|1,0,1]=4 3032 B17R2.87 COCc1ccccc1OC2CCCCC2 34a_100011488565_100000210327 [1,1,0,0,0,0|1,0,1]=4 3033 B17R2.87 COCc1ccccc1OC2CCCCC2 7a_100011488565_100000210327 [1,1,0,0,0,0|1,0,1]=4 3034 B17R2.87 COCc1ccccc1SC2CCCCC2 62a_100000210327_100011493684 [1,1,0,0,0,0|1,0,1]=4 3035 B17R2.87 COCc1ccccc1SC2CCCCC2 62a_100011493684_100000210327 [1,1,0,0,0,0|1,0,1]=4 3036 B17R2.87 O=CNc1ccccc1SC2CCCCC2 62a_100000210327_200020615051 [1,1,0,0,0,0|1,0,0]=3 3037 B17R2.87 O=CNc1ccccc1SC2CCCCC2 62a_200020615051_100000210327 [1,1,0,0,0,0|1,0,0]=3 3038 B17R2.87 O=CNc1ccccc1SC2CCCOC2 62a_200020615051_100000693364 [1,1,0,0,0,0|2,0,0]=4 3039 B17R2.87 O=CNc1ccccc1SC2CCOCC2 62a_200020615051_100011324220 [1,1,0,0,0,0|2,0,0]=4 3040 B17R2.87 O=CNc1ccccc1SC2CCSCC2 62a_200020615051_100000069128 [1,1,0,0,0,0|2,0,0]=4 3041 B17R2.87 OCCc1ccccc1NC2CCCCC2 34a_100011215289_100000210327 [1,1,0,0,0,0|0,0,1]=3 3042 B17R2.87 OCCc1ccccc1NC2CCCOC2 34a_100011215289_100000693364 [1,1,0,0,0,0|1,0,1]=4 3043 B17R2.87 OCCc1ccccc1NC2CCSCC2 34a_100011215289_100000069128 [1,1,0,0,0,0|1,0,1]=4 3044 B17R2.87 OCCc1ccccc1OC2CCCCC2 34a_100000719421_100000210327 [1,1,0,0,0,0|1,0,1]=4 3045 B17R2.87 OCCc1ccccc1OC2CCCCC2 7a_100000719421_100000210327 [1,1,0,0,0,0|1,0,1]=4 3046 B17R2.87 OCCc1ccccc1SC2CCCCC2 62a_100000210327_100000731337 [1,1,0,0,0,0|1,0,1]=4 3047 B17R2.87 OCCc1ccccc1SC2CCCCC2 62a_100000731337_100000210327 [1,1,0,0,0,0|1,0,1]=4 3048 B17R2.261 CC1CCCC(C1)Nc2ccncc2CO 27a_100011194320_100000117392 [1,1,0,0,0,0|1,0,1]=4 3049 B17R2.261 C[C@H]1CCCN(C1)Cc2ccccc2C=O 2230a_100000717927_200009853537 [1,1,0,0,0,0|2,0,0]=4 3050 B17R2.261 C[C@H]1CCCN(C1)Cc2ccccc2C=O 269982a_100000717927_200009853537 [1,1,0,0,0,0|2,0,0]=4 3051 B17R2.261 C[C@H]1CCCN(C1)Cc2ccccc2C=O 34a_100000717927_200009853537 [1,1,0,0,0,0|2,0,0]=4 3052 B17R2.261 O=Cc1ccccc1CN2CCCC(C2)F 2230a_100000697950_200009853537 [1,1,0,0,0,0|2,0,0]=4 3053 B17R2.261 O=Cc1ccccc1CN2CCCC(C2)F 269982a_100000697950_200009853537 [1,1,0,0,0,0|2,0,0]=4 3054 B17R2.261 O=Cc1ccccc1CN2CCCC(C2)F 34a_100000697950_200009853537 [1,1,0,0,0,0|2,0,0]=4 3055 B17R2.261 O=Cc1ccccc1CN2CCCC(C2)O 2230a_100000211013_200009853537 [1,1,0,0,0,0|2,0,0]=4 3056 B17R2.261 O=Cc1ccccc1CN2CCCC(C2)O 269982a_100000211013_200009853537 [1,1,0,0,0,0|2,0,0]=4 3057 B17R2.261 OCc1cnccc1NC2CCCC(C2)O 27a_100015190357_100000117392 [1,1,0,0,0,0|1,0,1]=4 3058 B17R2.925 C#Cc1cc(ccc1NC2CCCCC2)C 34a_200012001881_100000210327 [1,1,0,0,0,0|1,0,1]=4 3059 B17R2.925 C=Cc1cc(ccc1SC2CCCCC2)F 62a_100000210327_100012356183 [1,1,0,0,0,0|2,0,0]=4 3060 B17R2.925 C=Cc1cc(ccc1SC2CCCCC2)F 62a_100012356183_100000210327 [1,1,0,0,0,0|2,0,0]=4 3061 B17R2.925 CCc1cc(ccc1NC2CCCCC2)Br 34a_100000686106_100000210327 [1,1,0,0,0,0|1,0,1]=4 3062 B17R2.925 CCc1cc(ccc1NC2CCCCC2)Br 7a_100000686106_100000210327 [1,1,0,0,0,0|1,0,1]=4 3063 B17R2.925 CCc1cc(ccc1NC2CCCCC2)Cl 34a_100012017146_100000210327 [1,1,0,0,0,0|1,0,1]=4 3064 B17R2.925 CCc1cc(ccc1NC2CCCCC2)Cl 7a_100012017146_100000210327 [1,1,0,0,0,0|1,0,1]=4 3065 B17R2.925 CCc1cc(ccc1NC2CCCCC2)I 34a_100000014069_100000210327 [1,1,0,0,0,0|1,0,1]=4 3066 B17R2.925 CCc1cc(ccc1NC2CCCCC2)I 7a_100000014069_100000210327 [1,1,0,0,0,0|1,0,1]=4 3067 B17R2.925 COc1cc(ccc1NC2CCCCC2)Br 34a_100011279103_100000210327 [1,1,0,0,0,0|2,0,0]=4 3068 B17R2.925 COc1cc(ccc1NC2CCCCC2)C 34a_100000746441_100000210327 [1,1,0,0,0,0|2,0,0]=4 3069 B17R2.925 COc1cc(ccc1NC2CCCCC2)Cl 34a_100000707585_100000210327 [1,1,0,0,0,0|2,0,0]=4 3070 B17R2.925 COc1cc(ccc1NC2CCCCC2)F 34a_100000737216_100000210327 [1,1,0,0,0,0|2,0,0]=4 3071 B17R2.925 COc1cc(ccc1NC2CCCCC2)I 34a_100015196925_100000210327 [1,1,0,0,0,0|2,0,0]=4 3072 B17R2.925 COc1cc(ccc1NC2CCCCC2)O 34a_100015326901_100000210327 [1,1,0,0,0,0|2,0,0]=4 3073 B17R2.925 Cc1ccc(c(c1)C#N)NC2CCCCC2 7a_100011934023_100000210327 [1,1,0,0,0,0|1,0,1]=4 3074 B17R2.925 Cc1ccc(c(c1)C=O)SC2CCCCC2 62a_100000210327_100011551863 [1,1,0,0,0,0|1,0,0]=3 3075 B17R2.925 Cc1ccc(c(c1)C=O)SC2CCCCC2 62a_100011551863_100000210327 [1,1,0,0,0,0|1,0,0]=3 3076 B17R2.925 Cc1ccc(c(c1)C=O)SC2CCCOC2 62a_100011551863_100000693364 [1,1,0,0,0,0|2,0,0]=4 3077 B17R2.925 Cc1ccc(c(c1)C=O)SC2CCOCC2 62a_100011551863_100011324220 [1,1,0,0,0,0|2,0,0]=4 3078 B17R2.925 Cc1ccc(c(c1)C=O)SC2CCSCC2 62a_100011551863_100000069128 [1,1,0,0,0,0|2,0,0]=4 3079 B17R2.925 Cc1ccc(c(c1)CO)NC2CCCCC2 34a_100011215565_100000210327 [1,1,0,0,0,0|0,0,1]=3 3080 B17R2.925 Cc1ccc(c(c1)CO)NC2CCCOC2 34a_100011215565_100000693364 [1,1,0,0,0,0|1,0,1]=4 3081 B17R2.925 Cc1ccc(c(c1)CO)NC2CCSCC2 34a_100011215565_100000069128 [1,1,0,0,0,0|1,0,1]=4 3082 B17R2.925 Cc1ccc(c(c1)CO)OC2CCCCC2 34a_200011846009_100000210327 [1,1,0,0,0,0|1,0,1]=4 3083 B17R2.925 Cc1ccc(c(c1)CO)OC2CCCCC2 7a_200011846009_100000210327 [1,1,0,0,0,0|1,0,1]=4 3084 B17R2.925 Cc1ccc(c(c1)CO)SC2CCCCC2 62a_100000210327_100012361352 [1,1,0,0,0,0|1,0,1]=4 3085 B17R2.925 Cc1ccc(c(c1)CO)SC2CCCCC2 62a_100012361352_100000210327 [1,1,0,0,0,0|1,0,1]=4 3086 B17R2.925 Cc1ccc(c(n1)C=O)SC2CCCCC2 62a_100000210327_100010173661 [1,1,0,0,0,0|2,0,0]=4 3087 B17R2.925 Cc1ccc(c(n1)C=O)SC2CCCCC2 62a_100010173661_100000210327 [1,1,0,0,0,0|2,0,0]=4 3088 B17R2.925 Cc1cnc(c(c1)C=O)SC2CCCCC2 62a_100000210327_100000050350 [1,1,0,0,0,0|2,0,0]=4 3089 B17R2.925 N#Cc1cc(ccc1NC2CCCCC2)Br 27a_100000182618_100011219714 [1,1,0,0,0,0|1,0,1]=4 3090 B17R2.925 N#Cc1cc(ccc1NC2CCCCC2)Br 7a_100000688460_100000210327 [1,1,0,0,0,0|1,0,1]=4 3091 B17R2.925 N#Cc1cc(ccc1NC2CCCCC2)Cl 7a_100011219925_100000210327 [1,1,0,0,0,0|1,0,1]=4 3092 B17R2.925 N#Cc1cc(ccc1NC2CCCCC2)F 34a_100000685569_100000210327 [1,1,0,0,0,0|1,0,1]=4 3093 B17R2.925 N#Cc1cc(ccc1NC2CCCCC2)F 7a_100000685569_100000210327 [1,1,0,0,0,0|1,0,1]=4 3094 B17R2.925 N#Cc1cc(ccc1NC2CCCCC2)I 7a_100000049818_100000210327 [1,1,0,0,0,0|1,0,1]=4 3095 B17R2.925 Nc1ccc(c(c1)CO)SC2CCCCC2 62a_100000210327_100012347228 [1,1,0,0,0,0|1,0,1]=4 3096 B17R2.925 Nc1ccc(c(c1)CO)SC2CCCCC2 62a_100012347228_100000210327 [1,1,0,0,0,0|1,0,1]=4 3097 B17R2.925 O=Cc1cc(ccc1SC2CCCCC2)Br 62a_100000210327_100010185651 [1,1,0,0,0,0|1,0,0]=3 3098 B17R2.925 O=Cc1cc(ccc1SC2CCCCC2)Br 62a_100010185651_100000210327 [1,1,0,0,0,0|1,0,0]=3 3099 B17R2.925 O=Cc1cc(ccc1SC2CCCCC2)Cl 62a_100000210327_100010254386 [1,1,0,0,0,0|1,0,0]=3 3100 B17R2.925 O=Cc1cc(ccc1SC2CCCCC2)Cl 62a_100010254386_100000210327 [1,1,0,0,0,0|1,0,0]=3 3101 B17R2.925 O=Cc1cc(ccc1SC2CCCCC2)F 62a_100000210327_100011218309 [1,1,0,0,0,0|1,0,0]=3 3102 B17R2.925 O=Cc1cc(ccc1SC2CCCCC2)F 62a_100011218309_100000210327 [1,1,0,0,0,0|1,0,0]=3 3103 B17R2.925 O=Cc1cc(ccc1SC2CCCCC2)O 62a_100000210327_100000690577 [1,1,0,0,0,0|1,0,0]=3 3104 B17R2.925 O=Cc1cc(ccc1SC2CCCCC2)O 62a_100000690577_100000210327 [1,1,0,0,0,0|1,0,0]=3 3105 B17R2.925 O=Cc1cc(ccc1SC2CCCOC2)Br 62a_100010185651_100000693364 [1,1,0,0,0,0|2,0,0]=4 3106 B17R2.925 O=Cc1cc(ccc1SC2CCCOC2)Cl 62a_100010254386_100000693364 [1,1,0,0,0,0|2,0,0]=4 3107 B17R2.925 O=Cc1cc(ccc1SC2CCCOC2)F 62a_100011218309_100000693364 [1,1,0,0,0,0|2,0,0]=4 3108 B17R2.925 O=Cc1cc(ccc1SC2CCCOC2)O 62a_100000690577_100000693364 [1,1,0,0,0,0|2,0,0]=4 3109 B17R2.925 O=Cc1cc(ccc1SC2CCOCC2)Br 62a_100010185651_100011324220 [1,1,0,0,0,0|2,0,0]=4 3110 B17R2.925 O=Cc1cc(ccc1SC2CCOCC2)Cl 62a_100010254386_100011324220 [1,1,0,0,0,0|2,0,0]=4 3111 B17R2.925 O=Cc1cc(ccc1SC2CCOCC2)F 62a_100011218309_100011324220 [1,1,0,0,0,0|2,0,0]=4 3112 B17R2.925 O=Cc1cc(ccc1SC2CCOCC2)O 62a_100000690577_100011324220 [1,1,0,0,0,0|2,0,0]=4 3113 B17R2.925 O=Cc1cc(ccc1SC2CCSCC2)Br 62a_100010185651_100000069128 [1,1,0,0,0,0|2,0,0]=4 3114 B17R2.925 O=Cc1cc(ccc1SC2CCSCC2)Cl 62a_100010254386_100000069128 [1,1,0,0,0,0|2,0,0]=4 3115 B17R2.925 O=Cc1cc(ccc1SC2CCSCC2)F 62a_100011218309_100000069128 [1,1,0,0,0,0|2,0,0]=4 3116 B17R2.925 O=Cc1cc(ccc1SC2CCSCC2)O 62a_100000690577_100000069128 [1,1,0,0,0,0|2,0,0]=4 3117 B17R2.925 O=Cc1cc(cnc1SC2CCCCC2)F 62a_100000079965_100000210327 [1,1,0,0,0,0|2,0,0]=4 3118 B17R2.925 O=Cc1cc(cnc1SC2CCCCC2)F 62a_100000210327_100000079965 [1,1,0,0,0,0|2,0,0]=4 3119 B17R2.925 O=Cc1cc(ncc1SC2CCCCC2)O 62a_100000210327_100010064890 [1,1,0,0,0,0|2,0,0]=4 3120 B17R2.925 O=Cc1cc(ncc1SC2CCCCC2)O 62a_100010064890_100000210327 [1,1,0,0,0,0|2,0,0]=4 3121 B17R2.925 OCc1cc(ccc1NC2CCCCC2)Br 34a_100012353972_100000210327 [1,1,0,0,0,0|0,0,1]=3 3122 B17R2.925 OCc1cc(ccc1NC2CCCCC2)Cl 34a_100011214999_100000210327 [1,1,0,0,0,0|0,0,1]=3 3123 B17R2.925 OCc1cc(ccc1NC2CCCCC2)F 34a_100011296978_100000210327 [1,1,0,0,0,0|0,0,1]=3 3124 B17R2.925 OCc1cc(ccc1NC2CCCOC2)Br 34a_100012353972_100000693364 [1,1,0,0,0,0|1,0,1]=4 3125 B17R2.925 OCc1cc(ccc1NC2CCCOC2)Cl 34a_100011214999_100000693364 [1,1,0,0,0,0|1,0,1]=4 3126 B17R2.925 OCc1cc(ccc1NC2CCCOC2)F 34a_100011296978_100000693364 [1,1,0,0,0,0|1,0,1]=4 3127 B17R2.925 OCc1cc(ccc1NC2CCSCC2)Br 34a_100012353972_100000069128 [1,1,0,0,0,0|1,0,1]=4 3128 B17R2.925 OCc1cc(ccc1NC2CCSCC2)Cl 34a_100011214999_100000069128 [1,1,0,0,0,0|1,0,1]=4 3129 B17R2.925 OCc1cc(ccc1NC2CCSCC2)F 34a_100011296978_100000069128 [1,1,0,0,0,0|1,0,1]=4 3130 B17R2.925 OCc1cc(ccc1OC2CCCCC2)Br 34a_100000184703_100000210327 [1,1,0,0,0,0|1,0,1]=4 3131 B17R2.925 OCc1cc(ccc1OC2CCCCC2)Br 7a_100000184703_100000210327 [1,1,0,0,0,0|1,0,1]=4 3132 B17R2.925 OCc1cc(ccc1OC2CCCCC2)Cl 34a_100011218961_100000210327 [1,1,0,0,0,0|1,0,1]=4 3133 B17R2.925 OCc1cc(ccc1OC2CCCCC2)Cl 7a_100011218961_100000210327 [1,1,0,0,0,0|1,0,1]=4 3134 B17R2.925 OCc1cc(ccc1OC2CCCCC2)F 34a_100011291448_100000210327 [1,1,0,0,0,0|1,0,1]=4 3135 B17R2.925 OCc1cc(ccc1OC2CCCCC2)F 7a_100011291448_100000210327 [1,1,0,0,0,0|1,0,1]=4 3136 B17R2.925 OCc1cc(ccc1OC2CCCCC2)I 34a_100000049520_100000210327 [1,1,0,0,0,0|1,0,1]=4 3137 B17R2.925 OCc1cc(ccc1OC2CCCCC2)I 7a_100000049520_100000210327 [1,1,0,0,0,0|1,0,1]=4 3138 B17R2.925 OCc1cc(ccc1SC2CCCCC2)Br 62a_100000210327_100011356890 [1,1,0,0,0,0|1,0,1]=4 3139 B17R2.925 OCc1cc(ccc1SC2CCCCC2)Br 62a_100011356890_100000210327 [1,1,0,0,0,0|1,0,1]=4 3140 B17R2.925 OCc1cc(ccc1SC2CCCCC2)F 62a_100000210327_100011217561 [1,1,0,0,0,0|1,0,1]=4 3141 B17R2.925 OCc1cc(ccc1SC2CCCCC2)F 62a_100011217561_100000210327 [1,1,0,0,0,0|1,0,1]=4 3142 B17R2.925 OCc1cc(ccc1SC2CCCCC2)O 62a_100000210327_100012351483 [1,1,0,0,0,0|1,0,1]=4 3143 B17R2.925 OCc1cc(ccc1SC2CCCCC2)O 62a_100012351483_100000210327 [1,1,0,0,0,0|1,0,1]=4 3144 B17R2.1066 C=Cc1ccccc1C(=O)C2CCCCC2 1458a_100011830265_100000210327 [1,1,0,0,0,0|2,0,0]=4 3145 B17R2.1066 CN(c1ccccc1C#N)C2CCCCC2 269982a_100000744078_100000210327 [1,1,0,0,0,0|1,0,1]=4 3146 B17R2.1066 CN(c1ccncc1CO)C2CCCCC2 27a_100000207522_100000117392 [1,1,0,0,0,0|1,0,1]=4 3147 B17R2.1066 COc1ccccc1N(C)C2CCCCC2 269982a_100000219746_100000210327 [1,1,0,0,0,0|2,0,0]=4 3148 B17R2.1066 COc1ccccc1N(C)C2CCCCC2 34a_100000219746_100000210327 [1,1,0,0,0,0|2,0,0]=4 3149 B17R2.1066 O=C(c1ccccc1CO)C2CCCCC2 1458a_100011301526_100000210327 [1,1,0,0,0,0|1,0,1]=4 3150 B17R2.1066 O=Ic1ccccc1C(=O)C2CCCCC2 1458a_100000032414_100000210327 [1,1,0,0,0,0|2,0,0]=4 3151 B17R2.1349 C=Cc1ccc(cc1SC2CCCCC2)F 62a_100000210327_100012354420 [1,1,0,0,0,0|2,0,0]=4 3152 B17R2.1349 C=Cc1ccc(cc1SC2CCCCC2)F 62a_100012354420_100000210327 [1,1,0,0,0,0|2,0,0]=4 3153 B17R2.1349 CCc1ccc(cc1NC2CCCCC2)Br 34a_100012354963_100000210327 [1,1,0,0,0,0|1,0,1]=4 3154 B17R2.1349 CCc1ccc(cc1NC2CCCCC2)Br 7a_100012354963_100000210327 [1,1,0,0,0,0|1,0,1]=4 3155 B17R2.1349 CCc1ccc(cc1NC2CCCCC2)Cl 34a_200012281948_100000210327 [1,1,0,0,0,0|1,0,1]=4 3156 B17R2.1349 CCc1ccc(cc1NC2CCCCC2)Cl 7a_200012281948_100000210327 [1,1,0,0,0,0|1,0,1]=4 3157 B17R2.1349 COc1ccc(cc1NC2CCCCC2)Br 34a_100000743470_100000210327 [1,1,0,0,0,0|2,0,0]=4 3158 B17R2.1349 COc1ccc(cc1NC2CCCCC2)C 34a_100000210980_100000210327 [1,1,0,0,0,0|2,0,0]=4 3159 B17R2.1349 COc1ccc(cc1NC2CCCCC2)Cl 34a_100000182114_100000210327 [1,1,0,0,0,0|2,0,0]=4 3160 B17R2.1349 COc1ccc(cc1NC2CCCCC2)F 34a_100000757179_100000210327 [1,1,0,0,0,0|2,0,0]=4 3161 B17R2.1349 CSc1ccc(cc1NC2CCCCC2)Cl 34a_100000745667_100000210327 [1,1,0,0,0,0|2,0,0]=4 3162 B17R2.1349 Cc1ccc(c(c1)NC2CCCCC2)C#N 34a_100011218341_100000210327 [1,1,0,0,0,0|1,0,1]=4 3163 B17R2.1349 Cc1ccc(c(c1)NC2CCCCC2)C#N 7a_100011218341_100000210327 [1,1,0,0,0,0|1,0,1]=4 3164 B17R2.1349 Cc1ccc(c(c1)NC2CCCCC2)CO 34a_100000087799_100000210327 [1,1,0,0,0,0|0,0,1]=3 3165 B17R2.1349 Cc1ccc(c(c1)NC2CCCOC2)CO 34a_100000087799_100000693364 [1,1,0,0,0,0|1,0,1]=4 3166 B17R2.1349 Cc1ccc(c(c1)NC2CCSCC2)CO 34a_100000087799_100000069128 [1,1,0,0,0,0|1,0,1]=4 3167 B17R2.1349 Cc1ccc(c(c1)SC2CCCCC2)C=O 62a_100000210327_100011935181 [1,1,0,0,0,0|1,0,0]=3 3168 B17R2.1349 Cc1ccc(c(c1)SC2CCCCC2)C=O 62a_100011935181_100000210327 [1,1,0,0,0,0|1,0,0]=3 3169 B17R2.1349 Cc1ccc(c(c1)SC2CCCOC2)C=O 62a_100011935181_100000693364 [1,1,0,0,0,0|2,0,0]=4 3170 B17R2.1349 Cc1ccc(c(c1)SC2CCOCC2)C=O 62a_100011935181_100011324220 [1,1,0,0,0,0|2,0,0]=4 3171 B17R2.1349 Cc1ccc(c(c1)SC2CCSCC2)C=O 62a_100011935181_100000069128 [1,1,0,0,0,0|2,0,0]=4 3172 B17R2.1349 Cc1ccc(c(n1)SC2CCCCC2)C=O 62a_100000085379_100000210327 [1,1,0,0,0,0|2,0,0]=4 3173 B17R2.1349 Cc1ccc(c(n1)SC2CCCCC2)C=O 62a_100000210327_100000085379 [1,1,0,0,0,0|2,0,0]=4 3174 B17R2.1349 N#Cc1ccc(cc1NC2CCCCC2)Br 27a_100000182618_100010214477 [1,1,0,0,0,0|1,0,1]=4 3175 B17R2.1349 N#Cc1ccc(cc1NC2CCCCC2)Br 7a_100000699244_100000210327 [1,1,0,0,0,0|1,0,1]=4 3176 B17R2.1349 N#Cc1ccc(cc1NC2CCCCC2)Cl 27a_100000182618_100012355178 [1,1,0,0,0,0|1,0,1]=4 3177 B17R2.1349 N#Cc1ccc(cc1NC2CCCCC2)Cl 34a_100000211392_100000210327 [1,1,0,0,0,0|1,0,1]=4 3178 B17R2.1349 N#Cc1ccc(cc1NC2CCCCC2)Cl 7a_100000211392_100000210327 [1,1,0,0,0,0|1,0,1]=4 3179 B17R2.1349 N#Cc1ccc(cc1NC2CCCCC2)F 27a_100000182618_100011935285 [1,1,0,0,0,0|1,0,1]=4 3180 B17R2.1349 N#Cc1ccc(cc1NC2CCCCC2)F 34a_100011935279_100000210327 [1,1,0,0,0,0|1,0,1]=4 3181 B17R2.1349 N#Cc1ccc(cc1NC2CCCCC2)F 7a_100011935279_100000210327 [1,1,0,0,0,0|1,0,1]=4 3182 B17R2.1349 O=Cc1ccc(cc1SC2CCCCC2)Br 62a_100000210327_100010146562 [1,1,0,0,0,0|1,0,0]=3 3183 B17R2.1349 O=Cc1ccc(cc1SC2CCCCC2)Br 62a_100010146562_100000210327 [1,1,0,0,0,0|1,0,0]=3 3184 B17R2.1349 O=Cc1ccc(cc1SC2CCCCC2)F 62a_100000210327_100000752949 [1,1,0,0,0,0|1,0,0]=3 3185 B17R2.1349 O=Cc1ccc(cc1SC2CCCCC2)F 62a_100000752949_100000210327 [1,1,0,0,0,0|1,0,0]=3 3186 B17R2.1349 O=Cc1ccc(cc1SC2CCCCC2)O 62a_100000210327_100011236494 [1,1,0,0,0,0|1,0,0]=3 3187 B17R2.1349 O=Cc1ccc(cc1SC2CCCCC2)O 62a_100011236494_100000210327 [1,1,0,0,0,0|1,0,0]=3 3188 B17R2.1349 O=Cc1ccc(cc1SC2CCCOC2)Br 62a_100010146562_100000693364 [1,1,0,0,0,0|2,0,0]=4 3189 B17R2.1349 O=Cc1ccc(cc1SC2CCCOC2)F 62a_100000752949_100000693364 [1,1,0,0,0,0|2,0,0]=4 3190 B17R2.1349 O=Cc1ccc(cc1SC2CCCOC2)O 62a_100011236494_100000693364 [1,1,0,0,0,0|2,0,0]=4 3191 B17R2.1349 O=Cc1ccc(cc1SC2CCOCC2)Br 62a_100010146562_100011324220 [1,1,0,0,0,0|2,0,0]=4 3192 B17R2.1349 O=Cc1ccc(cc1SC2CCOCC2)F 62a_100000752949_100011324220 [1,1,0,0,0,0|2,0,0]=4 3193 B17R2.1349 O=Cc1ccc(cc1SC2CCOCC2)O 62a_100011236494_100011324220 [1,1,0,0,0,0|2,0,0]=4 3194 B17R2.1349 O=Cc1ccc(cc1SC2CCSCC2)Br 62a_100010146562_100000069128 [1,1,0,0,0,0|2,0,0]=4 3195 B17R2.1349 O=Cc1ccc(cc1SC2CCSCC2)F 62a_100000752949_100000069128 [1,1,0,0,0,0|2,0,0]=4 3196 B17R2.1349 O=Cc1ccc(cc1SC2CCSCC2)O 62a_100011236494_100000069128 [1,1,0,0,0,0|2,0,0]=4 3197 B17R2.1349 O=Cc1ccc(nc1NC2CCCCC2)F 27a_100000182618_100009846357 [1,1,0,0,0,0|1,0,0]=3 3198 B17R2.1349 O=Cc1ccc(nc1NC2CCCOC2)F 27a_100000719290_100009846357 [1,1,0,0,0,0|2,0,0]=4 3199 B17R2.1349 O=Cc1ccc(nc1NC2CCOCC2)F 27a_100000741149_100009846357 [1,1,0,0,0,0|2,0,0]=4 3200 B17R2.1349 O=Cc1ccc(nc1NC2CCSCC2)F 27a_100000748639_100009846357 [1,1,0,0,0,0|2,0,0]=4 3201 B17R2.1349 O=Cc1ccc(nc1SC2CCCCC2)F 62a_100000210327_100009846357 [1,1,0,0,0,0|2,0,0]=4 3202 B17R2.1349 O=Cc1ccc(nc1SC2CCCCC2)F 62a_100009846357_100000210327 [1,1,0,0,0,0|2,0,0]=4 3203 B17R2.1349 O=Cc1cnc(cc1NC2CCCCC2)F 27a_100000182618_100009862493 [1,1,0,0,0,0|1,0,0]=3 3204 B17R2.1349 O=Cc1cnc(cc1NC2CCCOC2)F 27a_100000719290_100009862493 [1,1,0,0,0,0|2,0,0]=4 3205 B17R2.1349 O=Cc1cnc(cc1NC2CCOCC2)F 27a_100000741149_100009862493 [1,1,0,0,0,0|2,0,0]=4 3206 B17R2.1349 O=Cc1cnc(cc1NC2CCSCC2)F 27a_100000748639_100009862493 [1,1,0,0,0,0|2,0,0]=4 3207 B17R2.1349 O=Cc1cnc(cc1SC2CCCCC2)F 62a_100000210327_100009862493 [1,1,0,0,0,0|2,0,0]=4 3208 B17R2.1349 O=Cc1cnc(cc1SC2CCCCC2)F 62a_100009862493_100000210327 [1,1,0,0,0,0|2,0,0]=4 3209 B17R2.1349 OCc1ccc(cc1NC2CCCCC2)Br 34a_100000718831_100000210327 [1,1,0,0,0,0|0,0,1]=3 3210 B17R2.1349 OCc1ccc(cc1NC2CCCCC2)Cl 34a_100000238622_100000210327 [1,1,0,0,0,0|0,0,1]=3 3211 B17R2.1349 OCc1ccc(cc1NC2CCCCC2)F 34a_100011996588_100000210327 [1,1,0,0,0,0|0,0,1]=3 3212 B17R2.1349 OCc1ccc(cc1NC2CCCOC2)Br 34a_100000718831_100000693364 [1,1,0,0,0,0|1,0,1]=4 3213 B17R2.1349 OCc1ccc(cc1NC2CCCOC2)Cl 34a_100000238622_100000693364 [1,1,0,0,0,0|1,0,1]=4 3214 B17R2.1349 OCc1ccc(cc1NC2CCCOC2)F 34a_100011996588_100000693364 [1,1,0,0,0,0|1,0,1]=4 3215 B17R2.1349 OCc1ccc(cc1NC2CCSCC2)Br 34a_100000718831_100000069128 [1,1,0,0,0,0|1,0,1]=4 3216 B17R2.1349 OCc1ccc(cc1NC2CCSCC2)Cl 34a_100000238622_100000069128 [1,1,0,0,0,0|1,0,1]=4 3217 B17R2.1349 OCc1ccc(cc1NC2CCSCC2)F 34a_100011996588_100000069128 [1,1,0,0,0,0|1,0,1]=4 3218 B17R2.1349 OCc1ccc(cc1OC2CCCCC2)Br 34a_100000071718_100000210327 [1,1,0,0,0,0|1,0,1]=4 3219 B17R2.1349 OCc1ccc(cc1OC2CCCCC2)Br 7a_100000071718_100000210327 [1,1,0,0,0,0|1,0,1]=4 3220 B17R2.1349 OCc1ccc(cc1SC2CCCCC2)Br 62a_100000210327_100010146605 [1,1,0,0,0,0|1,0,1]=4 3221 B17R2.1349 OCc1ccc(cc1SC2CCCCC2)Br 62a_100010146605_100000210327 [1,1,0,0,0,0|1,0,1]=4 3222 B17R2.1349 OCc1ccc(cc1SC2CCCCC2)Cl 62a_100000210327_100000722340 [1,1,0,0,0,0|1,0,1]=4 3223 B17R2.1349 OCc1ccc(cc1SC2CCCCC2)Cl 62a_100000722340_100000210327 [1,1,0,0,0,0|1,0,1]=4 3224 B17R2.1349 OCc1ccc(cc1SC2CCCCC2)F 62a_100000210327_100000744086 [1,1,0,0,0,0|1,0,1]=4 3225 B17R2.1349 OCc1ccc(cc1SC2CCCCC2)F 62a_100000744086_100000210327 [1,1,0,0,0,0|1,0,1]=4 3226 B17R2.1349 OCc1ccc(cc1SC2CCCCC2)O 62a_100000210327_100010146404 [1,1,0,0,0,0|1,0,1]=4 3227 B17R2.1349 OCc1ccc(cc1SC2CCCCC2)O 62a_100010146404_100000210327 [1,1,0,0,0,0|1,0,1]=4 3228 B17R2.1470 C#Cc1ccccc1NC2CCCCC2F 34a_100011470550_100015423560 [1,1,0,0,0,0|1,0,1]=4 3229 B17R2.1470 C#Cc1ccccc1NC2CCCCC2O 34a_100011470550_100000038908 [1,1,0,0,0,0|1,0,1]=4 3230 B17R2.1470 C=Cc1ccccc1NC2CCCCC2=O 34a_100012022501_100000754470 [1,1,0,0,0,0|1,0,1]=4 3231 B17R2.1470 C=Cc1ccccc1NC2CCCCC2F 34a_100012022501_100015423560 [1,1,0,0,0,0|1,0,0]=3 3232 B17R2.1470 C=Cc1ccccc1NC2CCCCC2O 34a_100012022501_100000038908 [1,1,0,0,0,0|1,0,0]=3 3233 B17R2.1470 C=Cc1ccccc1SC2CCCCC2F 62a_100011218376_100015423560 [1,1,0,0,0,0|2,0,0]=4 3234 B17R2.1470 C=Cc1ccccc1SC2CCCCC2F 62a_100015423560_100011218376 [1,1,0,0,0,0|2,0,0]=4 3235 B17R2.1470 C=Cc1ccccc1SC2CCCCC2O 62a_100000038908_100011218376 [1,1,0,0,0,0|2,0,0]=4 3236 B17R2.1470 C=Cc1ccccc1SC2CCCCC2O 62a_100011218376_100000038908 [1,1,0,0,0,0|2,0,0]=4 3237 B17R2.1470 CC1CCCCC1Nc2ccncc2CO 27a_100000211402_100000117392 [1,1,0,0,0,0|1,0,1]=4 3238 B17R2.1470 CC1CCCCN1Cc2ccccc2C=O 2230a_100000211376_200009853537 [1,1,0,0,0,0|2,0,0]=4 3239 B17R2.1470 CC1CCCCN1Cc2ccccc2C=O 269982a_100000211376_200009853537 [1,1,0,0,0,0|2,0,0]=4 3240 B17R2.1470 CC1CCCCN1Cc2ccccc2C=O 34a_100000211376_200009853537 [1,1,0,0,0,0|2,0,0]=4 3241 B17R2.1470 CCc1ccccc1NC2CCCCC2F 34a_100000212081_100015423560 [1,1,0,0,0,0|1,0,1]=4 3242 B17R2.1470 CCc1ccccc1NC2CCCCC2O 34a_100000212081_100000038908 [1,1,0,0,0,0|1,0,1]=4 3243 B17R2.1470 COc1ccccc1NC2CCCCC2F 34a_100000210025_100015423560 [1,1,0,0,0,0|2,0,0]=4 3244 B17R2.1470 COc1ccccc1NC2CCCCC2O 34a_100000210025_100000038908 [1,1,0,0,0,0|2,0,0]=4 3245 B17R2.1470 CSc1ccccc1NC2CCCCC2F 34a_100000211160_100015423560 [1,1,0,0,0,0|2,0,0]=4 3246 B17R2.1470 CSc1ccccc1NC2CCCCC2O 34a_100000211160_100000038908 [1,1,0,0,0,0|2,0,0]=4 3247 B17R2.1470 N#Cc1ccccc1NC2CCCCC2F 34a_100000211148_100015423560 [1,1,0,0,0,0|1,0,1]=4 3248 B17R2.1470 N#Cc1ccccc1NC2CCCCC2O 34a_100000211148_100000038908 [1,1,0,0,0,0|1,0,1]=4 3249 B17R2.1470 O=C1CCCCC1Nc2ccccc2CO 34a_100000212039_100000754470 [1,1,0,0,0,0|0,0,2]=4 3250 B17R2.1470 O=Cc1ccccc1SC2CCCCC2=O 62a_100000204591_100000210073 [1,1,0,0,0,0|1,0,1]=4 3251 B17R2.1470 O=Cc1ccccc1SC2CCCCC2=O 62a_100000210073_100000204591 [1,1,0,0,0,0|1,0,1]=4 3252 B17R2.1470 O=Cc1ccccc1SC2CCCCC2F 62a_100000210073_100015423560 [1,1,0,0,0,0|1,0,0]=3 3253 B17R2.1470 O=Cc1ccccc1SC2CCCCC2F 62a_100015423560_100000210073 [1,1,0,0,0,0|1,0,0]=3 3254 B17R2.1470 O=Cc1ccccc1SC2CCCCC2O 62a_100000038908_100000210073 [1,1,0,0,0,0|1,0,0]=3 3255 B17R2.1470 O=Cc1ccccc1SC2CCCCC2O 62a_100000210073_100000038908 [1,1,0,0,0,0|1,0,0]=3 3256 B17R2.1470 O=Cc1cccnc1SC2CCCCC2F 62a_100009816751_100015423560 [1,1,0,0,0,0|2,0,0]=4 3257 B17R2.1470 O=Cc1cccnc1SC2CCCCC2F 62a_100015423560_100009816751 [1,1,0,0,0,0|2,0,0]=4 3258 B17R2.1470 O=Cc1cccnc1SC2CCCCC2O 62a_100000038908_100009816751 [1,1,0,0,0,0|2,0,0]=4 3259 B17R2.1470 O=Cc1cccnc1SC2CCCCC2O 62a_100009816751_100000038908 [1,1,0,0,0,0|2,0,0]=4 3260 B17R2.1470 O=Cc1ccncc1SC2CCCCC2F 62a_100011934409_100015423560 [1,1,0,0,0,0|2,0,0]=4 3261 B17R2.1470 O=Cc1ccncc1SC2CCCCC2F 62a_100015423560_100011934409 [1,1,0,0,0,0|2,0,0]=4 3262 B17R2.1470 O=Cc1ccncc1SC2CCCCC2O 62a_100000038908_100011934409 [1,1,0,0,0,0|2,0,0]=4 3263 B17R2.1470 O=Cc1ccncc1SC2CCCCC2O 62a_100011934409_100000038908 [1,1,0,0,0,0|2,0,0]=4 3264 B17R2.1470 O=Cc1cnccc1SC2CCCCC2F 62a_100000050567_100015423560 [1,1,0,0,0,0|2,0,0]=4 3265 B17R2.1470 O=Cc1cnccc1SC2CCCCC2F 62a_100015423560_100000050567 [1,1,0,0,0,0|2,0,0]=4 3266 B17R2.1470 O=Cc1cnccc1SC2CCCCC2O 62a_100000038908_100000050567 [1,1,0,0,0,0|2,0,0]=4 3267 B17R2.1470 O=Cc1cnccc1SC2CCCCC2O 62a_100000050567_100000038908 [1,1,0,0,0,0|2,0,0]=4 3268 B17R2.1470 O=Cc1ncccc1SC2CCCCC2F 62a_100011934733_100015423560 [1,1,0,0,0,0|2,0,0]=4 3269 B17R2.1470 O=Cc1ncccc1SC2CCCCC2F 62a_100015423560_100011934733 [1,1,0,0,0,0|2,0,0]=4 3270 B17R2.1470 O=Cc1ncccc1SC2CCCCC2O 62a_100000038908_100011934733 [1,1,0,0,0,0|2,0,0]=4 3271 B17R2.1470 O=Cc1ncccc1SC2CCCCC2O 62a_100011934733_100000038908 [1,1,0,0,0,0|2,0,0]=4 3272 B17R2.1470 OCc1ccccc1NC2CCCCC2F 34a_100000212039_100015423560 [1,1,0,0,0,0|0,0,1]=3 3273 B17R2.1470 OCc1ccccc1NC2CCCCC2O 34a_100000212039_100000038908 [1,1,0,0,0,0|0,0,1]=3 3274 B17R2.1470 OCc1ccccc1OC2CCCCC2F 34a_100011216872_100015423560 [1,1,0,0,0,0|1,0,1]=4 3275 B17R2.1470 OCc1ccccc1OC2CCCCC2O 34a_100011216872_100000038908 [1,1,0,0,0,0|1,0,1]=4 3276 B17R2.1470 OCc1ccccc1SC2CCCCC2F 62a_100000187465_100015423560 [1,1,0,0,0,0|1,0,1]=4 3277 B17R2.1470 OCc1ccccc1SC2CCCCC2F 62a_100015423560_100000187465 [1,1,0,0,0,0|1,0,1]=4 3278 B17R2.1470 OCc1ccccc1SC2CCCCC2O 62a_100000038908_100000187465 [1,1,0,0,0,0|1,0,1]=4 3279 B17R2.1470 OCc1ccccc1SC2CCCCC2O 62a_100000187465_100000038908 [1,1,0,0,0,0|1,0,1]=4 3280 B17R2.1470 OCc1cnccc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000117392 [1,1,0,0,0,0|1,0,1]=4 3281 B17R2.1470 OCc1cnccc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000117392 [1,1,0,0,0,0|1,0,1]=4 3282 B17R2.1791 CCc1cccc(c1NC2CCCCC2)C 34a_100000210048_100000210327 [1,1,0,0,0,0|1,0,1]=4 3283 B17R2.1791 CCc1cccc(c1NC2CCCCC2)C 7a_100000210048_100000210327 [1,1,0,0,0,0|1,0,1]=4 3284 B17R2.1791 COc1cccc(c1NC2CCCCC2)Br 34a_100000708083_100000210327 [1,1,0,0,0,0|2,0,0]=4 3285 B17R2.1791 COc1cccc(c1NC2CCCCC2)C 34a_100000758225_100000210327 [1,1,0,0,0,0|2,0,0]=4 3286 B17R2.1791 COc1cccc(c1NC2CCCCC2)Cl 34a_100011309317_100000210327 [1,1,0,0,0,0|2,0,0]=4 3287 B17R2.1791 COc1cccc(c1NC2CCCCC2)F 34a_100000686744_100000210327 [1,1,0,0,0,0|2,0,0]=4 3288 B17R2.1791 COc1cccc(c1NC2CCCCC2)O 34a_100012022766_100000210327 [1,1,0,0,0,0|2,0,0]=4 3289 B17R2.1791 Cc1cccc(c1NC2CCCCC2)CO 34a_100011215590_100000210327 [1,1,0,0,0,0|0,0,1]=3 3290 B17R2.1791 Cc1cccc(c1NC2CCCOC2)CO 34a_100011215590_100000693364 [1,1,0,0,0,0|1,0,1]=4 3291 B17R2.1791 Cc1cccc(c1NC2CCSCC2)CO 34a_100011215590_100000069128 [1,1,0,0,0,0|1,0,1]=4 3292 B17R2.1791 Cc1cccc(c1SC2CCCCC2)C=O 62a_100000210327_100012186367 [1,1,0,0,0,0|1,0,0]=3 3293 B17R2.1791 Cc1cccc(c1SC2CCCCC2)C=O 62a_100012186367_100000210327 [1,1,0,0,0,0|1,0,0]=3 3294 B17R2.1791 Cc1cccc(c1SC2CCCCC2)CO 62a_100000210327_100011659289 [1,1,0,0,0,0|1,0,1]=4 3295 B17R2.1791 Cc1cccc(c1SC2CCCCC2)CO 62a_100011659289_100000210327 [1,1,0,0,0,0|1,0,1]=4 3296 B17R2.1791 Cc1cccc(c1SC2CCCOC2)C=O 62a_100012186367_100000693364 [1,1,0,0,0,0|2,0,0]=4 3297 B17R2.1791 Cc1cccc(c1SC2CCOCC2)C=O 62a_100012186367_100011324220 [1,1,0,0,0,0|2,0,0]=4 3298 B17R2.1791 Cc1cccc(c1SC2CCSCC2)C=O 62a_100012186367_100000069128 [1,1,0,0,0,0|2,0,0]=4 3299 B17R2.1791 N#Cc1cccc(c1NC2CCCCC2)F 34a_100011219409_100000210327 [1,1,0,0,0,0|1,0,1]=4 3300 B17R2.1791 O=Cc1cccc(c1SC2CCCCC2)F 62a_100000210327_100011934749 [1,1,0,0,0,0|1,0,0]=3 3301 B17R2.1791 O=Cc1cccc(c1SC2CCCCC2)F 62a_100011934749_100000210327 [1,1,0,0,0,0|1,0,0]=3 3302 B17R2.1791 O=Cc1cccc(c1SC2CCCCC2)O 62a_100000210327_100009816417 [1,1,0,0,0,0|1,0,0]=3 3303 B17R2.1791 O=Cc1cccc(c1SC2CCCCC2)O 62a_100009816417_100000210327 [1,1,0,0,0,0|1,0,0]=3 3304 B17R2.1791 O=Cc1cccc(c1SC2CCCOC2)F 62a_100011934749_100000693364 [1,1,0,0,0,0|2,0,0]=4 3305 B17R2.1791 O=Cc1cccc(c1SC2CCCOC2)O 62a_100009816417_100000693364 [1,1,0,0,0,0|2,0,0]=4 3306 B17R2.1791 O=Cc1cccc(c1SC2CCOCC2)F 62a_100011934749_100011324220 [1,1,0,0,0,0|2,0,0]=4 3307 B17R2.1791 O=Cc1cccc(c1SC2CCOCC2)O 62a_100009816417_100011324220 [1,1,0,0,0,0|2,0,0]=4 3308 B17R2.1791 O=Cc1cccc(c1SC2CCSCC2)F 62a_100011934749_100000069128 [1,1,0,0,0,0|2,0,0]=4 3309 B17R2.1791 O=Cc1cccc(c1SC2CCSCC2)O 62a_100009816417_100000069128 [1,1,0,0,0,0|2,0,0]=4 3310 B17R2.1791 O=Cc1ccnc(c1SC2CCCCC2)F 62a_100000210327_100009856171 [1,1,0,0,0,0|2,0,0]=4 3311 B17R2.1791 O=Cc1ccnc(c1SC2CCCCC2)F 62a_100009856171_100000210327 [1,1,0,0,0,0|2,0,0]=4 3312 B17R2.1791 OCc1cccc(c1NC2CCCCC2)Cl 34a_100012182729_100000210327 [1,1,0,0,0,0|0,0,1]=3 3313 B17R2.1791 OCc1cccc(c1NC2CCCCC2)F 34a_100000692437_100000210327 [1,1,0,0,0,0|0,0,1]=3 3314 B17R2.1791 OCc1cccc(c1NC2CCCOC2)Cl 34a_100012182729_100000693364 [1,1,0,0,0,0|1,0,1]=4 3315 B17R2.1791 OCc1cccc(c1NC2CCCOC2)F 34a_100000692437_100000693364 [1,1,0,0,0,0|1,0,1]=4 3316 B17R2.1791 OCc1cccc(c1NC2CCSCC2)Cl 34a_100012182729_100000069128 [1,1,0,0,0,0|1,0,1]=4 3317 B17R2.1791 OCc1cccc(c1NC2CCSCC2)F 34a_100000692437_100000069128 [1,1,0,0,0,0|1,0,1]=4 3318 B17R2.1791 OCc1cccc(c1OC2CCCCC2)F 34a_100011997349_100000210327 [1,1,0,0,0,0|1,0,1]=4 3319 B17R2.1791 OCc1cccc(c1OC2CCCCC2)F 7a_100011997349_100000210327 [1,1,0,0,0,0|1,0,1]=4 3320 B17R2.1791 OCc1cccc(c1SC2CCCCC2)Br 62a_100000210327_100010146604 [1,1,0,0,0,0|1,0,1]=4 3321 B17R2.1791 OCc1cccc(c1SC2CCCCC2)Br 62a_100010146604_100000210327 [1,1,0,0,0,0|1,0,1]=4 3322 B17R2.1791 OCc1cccc(c1SC2CCCCC2)F 62a_100000210327_100012351117 [1,1,0,0,0,0|1,0,1]=4 3323 B17R2.1791 OCc1cccc(c1SC2CCCCC2)F 62a_100012351117_100000210327 [1,1,0,0,0,0|1,0,1]=4 3324 B17R2.2357 C#Cc1ccccc1NC2CCC(CC2)C 34a_100011470550_200011216234 [1,1,0,0,0,0|1,0,1]=4 3325 B17R2.2357 C=Cc1ccccc1NC2CCC(CC2)C 34a_100012022501_200011216234 [1,1,0,0,0,0|1,0,0]=3 3326 B17R2.2357 CC1CCC(CC1)Nc2ccccc2C#N 34a_100000211148_200011216234 [1,1,0,0,0,0|1,0,1]=4 3327 B17R2.2357 CC1CCC(CC1)Nc2ccccc2CO 34a_100000212039_200011216234 [1,1,0,0,0,0|0,0,1]=3 3328 B17R2.2357 CC1CCC(CC1)Oc2ccccc2CO 34a_100011216872_200011216234 [1,1,0,0,0,0|1,0,1]=4 3329 B17R2.2357 CC1CCC(CC1)Sc2ccccc2C=O 62a_100000210073_200011216234 [1,1,0,0,0,0|1,0,0]=3 3330 B17R2.2357 CC1CCC(CC1)Sc2ccccc2CO 62a_100000187465_200011216234 [1,1,0,0,0,0|1,0,1]=4 3331 B17R2.2357 CC1CCC(CC1)Sc2cccnc2C=O 62a_100011934733_200011216234 [1,1,0,0,0,0|2,0,0]=4 3332 B17R2.2357 CC1CCC(CC1)Sc2ccncc2C=O 62a_100000050567_200011216234 [1,1,0,0,0,0|2,0,0]=4 3333 B17R2.2357 CC1CCC(CC1)Sc2cnccc2C=O 62a_100011934409_200011216234 [1,1,0,0,0,0|2,0,0]=4 3334 B17R2.2357 CC1CCC(CC1)Sc2ncccc2C=O 62a_100009816751_200011216234 [1,1,0,0,0,0|2,0,0]=4 3335 B17R2.2357 CC1CCN(CC1)Cc2ccccc2C=O 2230a_100000188429_200009853537 [1,1,0,0,0,0|2,0,0]=4 3336 B17R2.2357 CC1CCN(CC1)Cc2ccccc2C=O 269982a_100000188429_200009853537 [1,1,0,0,0,0|2,0,0]=4 3337 B17R2.2357 CC1CCN(CC1)Cc2ccccc2C=O 34a_100000188429_200009853537 [1,1,0,0,0,0|2,0,0]=4 3338 B17R2.2357 CCc1ccccc1NC2CCC(CC2)C 34a_100000212081_200011216234 [1,1,0,0,0,0|1,0,1]=4 3339 B17R2.2357 CN1CCC(CC1)Sc2ccccc2C=O 62a_100000210073_100011215917 [1,1,0,0,0,0|2,0,0]=4 3340 B17R2.2357 COc1ccccc1NC2CCC(CC2)C 34a_100000210025_200011216234 [1,1,0,0,0,0|2,0,0]=4 3341 B17R2.2357 CSc1ccccc1NC2CCC(CC2)C 34a_100000211160_200011216234 [1,1,0,0,0,0|2,0,0]=4 3342 B17R2.2357 C[C@H]1CC[C@@H](CC1)Nc2ccncc2CO 27a_100020625639_100000117392 [1,1,0,0,0,0|1,0,1]=4 3343 B17R2.2357 O=Cc1ccccc1CN2CCC(CC2)F 2230a_100015193889_200009853537 [1,1,0,0,0,0|2,0,0]=4 3344 B17R2.2357 O=Cc1ccccc1CN2CCC(CC2)F 269982a_100015193889_200009853537 [1,1,0,0,0,0|2,0,0]=4 3345 B17R2.2357 O=Cc1ccccc1CN2CCC(CC2)F 34a_100015193889_200009853537 [1,1,0,0,0,0|2,0,0]=4 3346 B17R2.2357 O=Cc1ccccc1CN2CCC(CC2)O 2230a_100025773856_200009853537 [1,1,0,0,0,0|2,0,0]=4 3347 B17R2.2357 O=Cc1ccccc1CN2CCC(CC2)O 269982a_100025773856_200009853537 [1,1,0,0,0,0|2,0,0]=4 3348 B17R2.2357 OCc1cnccc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000117392 [1,1,0,0,0,0|1,0,1]=4 3349 B17R2.231 CCC(=O)c1ccccc1C2CCCCC2 1458a_100000034410_100000210202 [0,1,0,0,1,0|1,0,0]=3 3350 B17R2.231 CCC(=O)c1ccccc1N2CCCCC2 1458a_100000729691_100000210202 [0,1,0,0,1,0|2,0,0]=4 3351 B17R2.231 CNC(=O)c1ccccc1C2CCCCC2 11a_106832991635_100000034410 [0,1,0,0,1,0|1,0,0]=3 3352 B17R2.231 CNC(=O)c1ccccc1C2CCCCC2 1626a_100102657272_100000034410 [0,1,0,0,1,0|1,0,0]=3 3353 B17R2.231 CNC(=O)c1ccccc1C2CCCCC2 240690a_100102657272_100000034410 [0,1,0,0,1,0|1,0,0]=3 3354 B17R2.231 CNC(=O)c1ccccc1C2CCCCC2 527a_100102657272_100000034410 [0,1,0,0,1,0|1,0,0]=3 3355 B17R2.231 CNC(=O)c1ccccc1N2CCCCC2 11a_106832991635_100000729691 [0,1,0,0,1,0|2,0,0]=4 3356 B17R2.231 CNC(=O)c1ccccc1N2CCCCC2 1626a_100102657272_100000729691 [0,1,0,0,1,0|2,0,0]=4 3357 B17R2.231 CNC(=O)c1ccccc1N2CCCCC2 240690a_100102657272_100000729691 [0,1,0,0,1,0|2,0,0]=4 3358 B17R2.231 CNC(=O)c1ccccc1N2CCCCC2 527a_100102657272_100000729691 [0,1,0,0,1,0|2,0,0]=4 3359 B17R2.231 COC(=O)c1ccccc1C2=CCCCC2 271570a_100000062251_100000148710 [0,1,0,0,1,0|0,0,2]=4 3360 B17R2.231 O=C(CF)c1ccccc1C2CCCCC2 1458a_100000034410_100015361967 [0,1,0,0,1,0|1,0,0]=3 3361 B17R2.231 O=C(CF)c1ccccc1N2CCCCC2 1458a_100000729691_100015361967 [0,1,0,0,1,0|2,0,0]=4 3362 B17R2.520 COC(=O)c1[nH]ccc1OC2CCCCC2 34a_100000131702_100000210327 [0,1,0,0,1,0|2,0,0]=4 3363 B17R2.520 COC(=O)c1[nH]ccc1SC2CCCCC2 62a_100000210327_100102525103 [0,1,0,0,1,0|2,0,0]=4 3364 B17R2.520 COC(=O)c1ccoc1SC2CCCCC2 62a_100000210327_100011935261 [0,1,0,0,1,0|2,0,0]=4 3365 B17R2.520 COC(=O)c1ccsc1SC2CCCCC2 62a_100000210327_100009822520 [0,1,0,0,1,0|2,0,0]=4 3366 B17R2.520 COC(=O)c1ccsc1SC2CCCCC2 62a_100009822520_100000210327 [0,1,0,0,1,0|2,0,0]=4 3367 B17R2.520 COC(=O)c1cscc1SC2CCCCC2 62a_100000210327_100012351140 [0,1,0,0,1,0|2,0,0]=4 3368 B17R2.520 COC(=O)c1cscc1SC2CCCCC2 62a_100012351140_100000210327 [0,1,0,0,1,0|2,0,0]=4 3369 B17R2.520 COC(=O)c1occc1SC2CCCCC2 62a_100000210327_100012676306 [0,1,0,0,1,0|2,0,0]=4 3370 B17R2.520 COC(=O)c1sccc1OC2CCCCC2 7a_100000043449_100000210327 [0,1,0,0,1,0|2,0,0]=4 3371 B17R2.520 COC(=O)c1sccc1SC2CCCCC2 62a_100000210327_100000730364 [0,1,0,0,1,0|2,0,0]=4 3372 B17R2.629 CC(=NO)c1ccccc1OC2CCCC2 34a_100000164216_100000179811 [0,1,0,0,1,0|2,0,0]=4 3373 B17R2.629 CCC(=O)c1ccccc1OC2CCCC2 1458a_100000754426_100000210202 [0,1,0,0,1,0|2,0,0]=4 3374 B17R2.629 CCC(=O)c1ccccc1OC2CCCC2 7a_100000184720_100000179811 [0,1,0,0,1,0|2,0,0]=4 3375 B17R2.629 CNC(=O)c1ccccc1NC2CCCC2 27a_100000211070_100000155073 [0,1,0,0,1,0|1,0,0]=3 3376 B17R2.629 CNC(=O)c1ccccc1NC2CCCC2 34a_100000185696_100000179811 [0,1,0,0,1,0|1,0,0]=3 3377 B17R2.629 CNC(=O)c1ccccc1NC2CCOC2 34a_100000185696_100000690089 [0,1,0,0,1,0|2,0,0]=4 3378 B17R2.629 CNC(=O)c1ccccc1N[C@@H]2CCOC2 27a_200015188469_100000155073 [0,1,0,0,1,0|2,0,0]=4 3379 B17R2.629 CNC(=O)c1ccccc1N[C@H]2CCOC2 27a_100015188467_100000155073 [0,1,0,0,1,0|2,0,0]=4 3380 B17R2.629 CNC(=O)c1ccccc1OC2CCCC2 11a_106832991635_100000754426 [0,1,0,0,1,0|2,0,0]=4 3381 B17R2.629 CNC(=O)c1ccccc1OC2CCCC2 1626a_100102657272_100000754426 [0,1,0,0,1,0|2,0,0]=4 3382 B17R2.629 CNC(=O)c1ccccc1OC2CCCC2 240690a_100102657272_100000754426 [0,1,0,0,1,0|2,0,0]=4 3383 B17R2.629 CNC(=O)c1ccccc1OC2CCCC2 34a_100000185920_100000179811 [0,1,0,0,1,0|2,0,0]=4 3384 B17R2.629 CNC(=O)c1ccccc1OC2CCCC2 527a_100102657272_100000754426 [0,1,0,0,1,0|2,0,0]=4 3385 B17R2.629 CNC(=O)c1ccccc1OC2CCCC2 7a_100000185920_100000179811 [0,1,0,0,1,0|2,0,0]=4 3386 B17R2.629 CNC(=O)c1ccccc1SC2CCCC2 62a_100000155073_100000179811 [0,1,0,0,1,0|2,0,0]=4 3387 B17R2.629 CNC(=O)c1ccccc1SC2CCCC2 62a_100011217020_100000155073 [0,1,0,0,1,0|2,0,0]=4 3388 B17R2.629 CNC(=O)c1cccnc1NC2CCCC2 27a_100000211070_100000159833 [0,1,0,0,1,0|2,0,0]=4 3389 B17R2.629 COC(=O)c1ccccc1C=C2CCCC2 271570a_100010378317_100000148710 [0,1,0,0,1,0|1,0,1]=4 3390 B17R2.629 COC(=O)c1ccccc1CN2CCCC2 2230a_100000188435_100000744672 [0,1,0,0,1,0|2,0,0]=4 3391 B17R2.629 COC(=O)c1ccccc1CN2CCCC2 269982a_100000188435_100000744672 [0,1,0,0,1,0|2,0,0]=4 3392 B17R2.629 COC(=O)c1ccccc1OC2CCCC2 7a_100000150335_100000179811 [0,1,0,0,1,0|1,0,0]=3 3393 B17R2.629 COC(=O)c1ccccc1OC2CCOC2 7a_100000150335_100000731011 [0,1,0,0,1,0|2,0,0]=4 3394 B17R2.629 COC(=O)c1ccccc1SC2CCCC2 62a_100000148710_100000179811 [0,1,0,0,1,0|1,0,0]=3 3395 B17R2.629 COC(=O)c1ccccc1SC2CCCC2 62a_100011217020_100000148710 [0,1,0,0,1,0|1,0,0]=3 3396 B17R2.629 COC(=O)c1ccccc1SC2CCOC2 62a_100000148710_100000690089 [0,1,0,0,1,0|2,0,0]=4 3397 B17R2.629 COC(=O)c1cccnc1NC2CCCC2 27a_100000211070_100000150852 [0,1,0,0,1,0|1,0,0]=3 3398 B17R2.629 COC(=O)c1cccnc1N[C@@H]2CCOC2 27a_200015188469_100000150852 [0,1,0,0,1,0|2,0,0]=4 3399 B17R2.629 COC(=O)c1cccnc1N[C@H]2CCOC2 27a_100015188467_100000150852 [0,1,0,0,1,0|2,0,0]=4 3400 B17R2.629 COC(=O)c1cccnc1SC2CCCC2 62a_100011217020_100000150852 [0,1,0,0,1,0|2,0,0]=4 3401 B17R2.629 COC(=O)c1cccnc1SC2CCCC2 62a_100011587185_100000179811 [0,1,0,0,1,0|2,0,0]=4 3402 B17R2.629 COC(=O)c1ccncc1SC2CCCC2 62a_100010008606_100000179811 [0,1,0,0,1,0|2,0,0]=4 3403 B17R2.629 COC(=O)c1ccncc1SC2CCCC2 62a_100011217020_100010008606 [0,1,0,0,1,0|2,0,0]=4 3404 B17R2.629 COC(=O)c1cnccc1SC2CCCC2 62a_100011217020_100020629055 [0,1,0,0,1,0|2,0,0]=4 3405 B17R2.629 COC(=O)c1cnccc1SC2CCCC2 62a_100020629055_100000179811 [0,1,0,0,1,0|2,0,0]=4 3406 B17R2.629 COC(=O)c1cncnc1NC2CCCC2 27a_100000211070_100000726419 [0,1,0,0,1,0|2,0,0]=4 3407 B17R2.629 COC(=O)c1ncccc1OC2CCCC2 34a_100000744052_100000179811 [0,1,0,0,1,0|2,0,0]=4 3408 B17R2.629 COC(=O)c1ncccc1OC2CCCC2 7a_100000744052_100000179811 [0,1,0,0,1,0|2,0,0]=4 3409 B17R2.629 COC(=O)c1ncccc1SC2CCCC2 62a_100011217020_100011935214 [0,1,0,0,1,0|2,0,0]=4 3410 B17R2.629 COC(=O)c1ncccc1SC2CCCC2 62a_100011935214_100000179811 [0,1,0,0,1,0|2,0,0]=4 3411 B17R2.629 COC(=O)c1nccnc1NC2CCCC2 27a_100000211070_100000079898 [0,1,0,0,1,0|2,0,0]=4 3412 B17R2.629 NNC(=O)c1ccccc1OC2CCCC2 34a_100000186518_100000179811 [0,1,0,0,1,0|2,0,0]=4 3413 B17R2.629 NNC(=O)c1ccccc1SC2CCCC2 62a_100000190081_100000179811 [0,1,0,0,1,0|2,0,0]=4 3414 B17R2.629 NNC(=O)c1ccccc1SC2CCCC2 62a_100011217020_100000190081 [0,1,0,0,1,0|2,0,0]=4 3415 B17R2.629 O=C(CBr)c1ccccc1OC2CCCC2 7a_100000188908_100000179811 [0,1,0,0,1,0|2,0,0]=4 3416 B17R2.629 O=C(CF)c1ccccc1OC2CCCC2 1458a_100000754426_100015361967 [0,1,0,0,1,0|2,0,0]=4 3417 B17R2.629 O=C(NO)c1ccccc1OC2CCCC2 34a_100000188472_100000179811 [0,1,0,0,1,0|1,0,0]=3 3418 B17R2.629 O=C(NO)c1ccccc1OC2CCOC2 34a_100000188472_100000690089 [0,1,0,0,1,0|2,0,0]=4 3419 B17R2.629 O=C(O[Na])c1ccccc1SC2CCCC2 62a_100011217020_114855342371 [0,1,0,0,1,0|1,0,0]=3 3420 B17R2.3266 CC(=O)c1cccnc1N[C@H]2CC[C@H](C2)O 27a_100015195300_100009816689 [0,1,0,0,1,0|2,0,0]=4 3421 B17R2.3266 CC(=O)c1cnccc1N[C@H]2CC[C@H](C2)O 27a_100015195300_100160469449 [0,1,0,0,1,0|2,0,0]=4 3422 B17R2.3266 CN1CCC(C1)Sc2ccccc2C(=O)O 62a_202125556159_200012183744 [0,1,0,0,1,0|2,0,0]=4 3423 B17R2.3266 NC(=O)c1cccnc1N[C@H]2CC[C@H](C2)O 27a_100015195300_100000162199 [0,1,0,0,1,0|2,0,0]=4 3424 B17R2.3266 NC(=O)c1cnccc1N[C@H]2CC[C@H](C2)O 27a_100015195300_100000697804 [0,1,0,0,1,0|2,0,0]=4 3425 B17R2.3266 NC(=O)c1ncccc1N[C@H]2CC[C@H](C2)O 27a_100015195300_200012359670 [0,1,0,0,1,0|2,0,0]=4 3426 B17R2.3894 CC(=O)c1ccccc1S[C@@H]2CCC[C@H]2O 62a_100000751169_200016002552 [0,1,0,0,1,0|2,0,0]=4 3427 B17R2.3894 CC(=O)c1cccnc1N[C@H]2CCC[C@@H]2O 27a_100000748460_100009816689 [0,1,0,0,1,0|2,0,0]=4 3428 B17R2.3894 CC(=O)c1cnccc1N[C@H]2CCC[C@@H]2O 27a_100000748460_100160469449 [0,1,0,0,1,0|2,0,0]=4 3429 B17R2.3894 NC(=O)c1ccccc1NC2CCCC2=O 34a_100000185089_100000709159 [0,1,0,0,1,0|1,0,1]=4 3430 B17R2.3894 NC(=O)c1ccccc1NC2COCC2O 34a_100000185089_200000725654 [0,1,0,0,1,0|2,0,0]=4 3431 B17R2.3894 NC(=O)c1ccccc1S[C@@H]2CCC[C@H]2O 62a_100000162227_200016002552 [0,1,0,0,1,0|2,0,0]=4 3432 B17R2.3894 NC(=O)c1ccccc1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000162227 [0,1,0,0,1,0|2,0,0]=4 3433 B17R2.3894 NC(=O)c1cccnc1N[C@H]2CCC[C@@H]2O 27a_100000748460_100000162199 [0,1,0,0,1,0|2,0,0]=4 3434 B17R2.3894 NC(=O)c1cnccc1N[C@H]2CCC[C@@H]2O 27a_100000748460_100000697804 [0,1,0,0,1,0|2,0,0]=4 3435 B17R2.3894 NC(=O)c1ncccc1N[C@H]2CCC[C@@H]2O 27a_100000748460_200012359670 [0,1,0,0,1,0|2,0,0]=4 3436 B17R2.3894 O=C(O)c1ccccc1SC2CCCC2=O 62a_100000211823_100000734275 [0,1,0,0,1,0|1,0,1]=4 3437 B17R2.3894 O=C(O)c1ccccc1SC2CCCC2=O 62a_202125556159_100000211823 [0,1,0,0,1,0|1,0,1]=4 3438 B17R2.3894 O=C(O)c1ccccc1SC2COCC2O 62a_200000725654_100000734275 [0,1,0,0,1,0|2,0,0]=4 3439 B17R2.3894 O=C(O)c1ccccc1SC2COCC2O 62a_202125556159_200000725654 [0,1,0,0,1,0|2,0,0]=4 3440 B17R2.3894 O=C(O)c1ccccc1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000734275 [0,1,0,0,1,0|1,0,0]=3 3441 B17R2.3894 O=C(O)c1ccccc1S[C@@H]2CCC[C@H]2O 62a_202125556159_200016002552 [0,1,0,0,1,0|1,0,0]=3 3442 B17R2.5677 CC(=O)c1cccnc1N(C)C2CCCC2 27a_100000207505_100009816689 [0,1,0,0,1,0|2,0,0]=4 3443 B17R2.5677 CC(=O)c1cnccc1N(C)C2CCCC2 27a_100000207505_100160469449 [0,1,0,0,1,0|2,0,0]=4 3444 B17R2.5677 CN(c1ccccc1C(=O)N)C2CCCC2 269982a_100000184419_100000179811 [0,1,0,0,1,0|1,0,0]=3 3445 B17R2.5677 CN(c1ccccc1C(=O)N)C2CCOC2 269982a_100000184419_100000731011 [0,1,0,0,1,0|2,0,0]=4 3446 B17R2.5677 CN(c1ccccc1[N+](=O)[O-])C2CCCC2 2230a_100000156515_100000179811 [0,1,0,0,1,0|1,0,1]=4 3447 B17R2.5677 CN(c1ccccc1[N+](=O)[O-])C2CCCC2 269982a_100000156515_100000179811 [0,1,0,0,1,0|1,0,1]=4 3448 B17R2.5677 CN(c1cccnc1C(=O)N)C2CCCC2 27a_100000207505_200012359670 [0,1,0,0,1,0|2,0,0]=4 3449 B17R2.5677 CN(c1ccncc1C(=O)N)C2CCCC2 27a_100000207505_100000697804 [0,1,0,0,1,0|2,0,0]=4 3450 B17R2.5677 CN(c1ncccc1C(=O)N)C2CCCC2 27a_100000207505_100000162199 [0,1,0,0,1,0|2,0,0]=4 3451 B17R2.10073 CC(C)(O)c1ccccc1NC2CCCC2 34a_100000081495_100000179811 [0,1,0,0,1,0|1,0,1]=4 3452 B17R2.10073 CC(C)(O)c1ccccc1NC2CCCC2 7a_100000081495_100000179811 [0,1,0,0,1,0|1,0,1]=4 3453 B17R2.10073 CP(=O)(C)c1ccccc1NC2CCCC2 2230a_100010749338_100000179811 [0,1,0,0,1,0|2,0,0]=4 3454 B17R2.10073 CP(=O)(C)c1ccccc1NC2CCCC2 34a_100010749338_100000179811 [0,1,0,0,1,0|2,0,0]=4 3455 B17R2.10073 CS(=O)(=O)c1ccccc1NC2CCCC2 34a_100000241000_100000179811 [0,1,0,0,1,0|1,0,1]=4 3456 B17R2.10073 CS(=O)(=O)c1ccccc1NC2CCCC2 7a_100000241000_100000179811 [0,1,0,0,1,0|1,0,1]=4 3457 B17R2.10073 NS(=O)(=O)c1ccccc1NC2CCCC2 34a_100011204920_100000179811 [0,1,0,0,1,0|1,0,1]=4 3458 B17R2.24113 CC(=O)c1cccc(c1OC2CCCC2)C 34a_100009847209_100000179811 [0,1,0,0,1,0|2,0,0]=4 3459 B17R2.24113 CC(=O)c1cccc(c1OC2CCCC2)C 7a_100009847209_100000179811 [0,1,0,0,1,0|2,0,0]=4 3460 B17R2.24113 CC(=O)c1cccc(c1OC2CCCC2)Cl 34a_100000043392_100000179811 [0,1,0,0,1,0|2,0,0]=4 3461 B17R2.24113 CC(=O)c1cccc(c1OC2CCCC2)Cl 7a_100000043392_100000179811 [0,1,0,0,1,0|2,0,0]=4 3462 B17R2.24113 CC(=O)c1cccc(c1OC2CCCC2)F 34a_100011246037_100000179811 [0,1,0,0,1,0|2,0,0]=4 3463 B17R2.24113 CC(=O)c1cccc(c1OC2CCCC2)F 7a_100011246037_100000179811 [0,1,0,0,1,0|2,0,0]=4 3464 B17R2.24113 CC(=O)c1cccc(c1SC2CCCC2)F 62a_100011217020_100012362612 [0,1,0,0,1,0|2,0,0]=4 3465 B17R2.24113 CC(=O)c1cccc(c1SC2CCCC2)F 62a_100012362612_100000179811 [0,1,0,0,1,0|2,0,0]=4 3466 B17R2.24113 Cc1cccc(c1NC2CCCC2)C(=O)N 34a_100000223273_100000179811 [0,1,0,0,1,0|1,0,0]=3 3467 B17R2.24113 Cc1cccc(c1NC2CCOC2)C(=O)N 34a_100000223273_100000690089 [0,1,0,0,1,0|2,0,0]=4 3468 B17R2.24113 Cc1cccc(c1SC2CCCC2)C(=O)N 62a_100011217020_200011409216 [0,1,0,0,1,0|2,0,0]=4 3469 B17R2.24113 Cc1cccc(c1SC2CCCC2)C(=O)N 62a_200011409216_100000179811 [0,1,0,0,1,0|2,0,0]=4 3470 B17R2.24113 NC(=O)c1cccc(c1NC2CCCC2)Cl 34a_200011997947_100000179811 [0,1,0,0,1,0|1,0,0]=3 3471 B17R2.24113 NC(=O)c1cccc(c1NC2CCCC2)F 34a_100011722151_100000179811 [0,1,0,0,1,0|1,0,0]=3 3472 B17R2.24113 NC(=O)c1cccc(c1NC2CCOC2)Cl 34a_200011997947_100000690089 [0,1,0,0,1,0|2,0,0]=4 3473 B17R2.24113 NC(=O)c1cccc(c1NC2CCOC2)F 34a_100011722151_100000690089 [0,1,0,0,1,0|2,0,0]=4 3474 B17R2.24113 NC(=O)c1cccc(c1OC2CCCC2)Cl 34a_100009868166_100000179811 [0,1,0,0,1,0|2,0,0]=4 3475 B17R2.24113 NC(=O)c1cccc(c1OC2CCCC2)Cl 7a_100009868166_100000179811 [0,1,0,0,1,0|2,0,0]=4 3476 B17R2.24113 NC(=O)c1cccc(c1OC2CCCC2)F 34a_100009886295_100000179811 [0,1,0,0,1,0|2,0,0]=4 3477 B17R2.24113 NC(=O)c1cccc(c1OC2CCCC2)F 7a_100009886295_100000179811 [0,1,0,0,1,0|2,0,0]=4 3478 B17R2.24113 NC(=O)c1cccc(c1SC2CCCC2)F 62a_100011217020_200012351544 [0,1,0,0,1,0|2,0,0]=4 3479 B17R2.24113 NC(=O)c1cccc(c1SC2CCCC2)F 62a_200012351544_100000179811 [0,1,0,0,1,0|2,0,0]=4 3480 B17R2.24113 O=[N+]([O-])c1cccc(c1NC2CCCC2)F 34a_100000687224_100000179811 [0,1,0,0,1,0|1,0,1]=4 3481 B17R2.24117 CC(=O)c1c(cccc1OC2CCCC2)Br 34a_100010174959_100000179811 [0,1,0,0,1,0|2,0,0]=4 3482 B17R2.24117 CC(=O)c1c(cccc1OC2CCCC2)Br 7a_100010174959_100000179811 [0,1,0,0,1,0|2,0,0]=4 3483 B17R2.24117 CC(=O)c1c(cccc1OC2CCCC2)C 34a_100009860897_100000179811 [0,1,0,0,1,0|2,0,0]=4 3484 B17R2.24117 CC(=O)c1c(cccc1OC2CCCC2)C 7a_100009860897_100000179811 [0,1,0,0,1,0|2,0,0]=4 3485 B17R2.24117 CC(=O)c1c(cccc1OC2CCCC2)Cl 34a_100000730630_100000179811 [0,1,0,0,1,0|2,0,0]=4 3486 B17R2.24117 CC(=O)c1c(cccc1OC2CCCC2)Cl 7a_100000730630_100000179811 [0,1,0,0,1,0|2,0,0]=4 3487 B17R2.24117 CC(=O)c1c(cccc1OC2CCCC2)F 34a_100011216272_100000179811 [0,1,0,0,1,0|2,0,0]=4 3488 B17R2.24117 CC(=O)c1c(cccc1OC2CCCC2)F 7a_100011216272_100000179811 [0,1,0,0,1,0|2,0,0]=4 3489 B17R2.24117 CC(=O)c1c(cccc1SC2CCCC2)F 62a_100012351873_100000179811 [0,1,0,0,1,0|2,0,0]=4 3490 B17R2.24117 Cc1cccc(c1C(=O)N)NC2CCCC2 34a_100102558177_100000179811 [0,1,0,0,1,0|1,0,0]=3 3491 B17R2.24117 Cc1cccc(c1C(=O)N)NC2CCCC2 7a_100102558177_100000179811 [0,1,0,0,1,0|1,0,0]=3 3492 B17R2.24117 Cc1cccc(c1C(=O)N)NC2CCOC2 34a_100102558177_100000690089 [0,1,0,0,1,0|2,0,0]=4 3493 B17R2.24117 Cc1cccc(c1C(=O)N)NC2CCOC2 7a_100102558177_100000731011 [0,1,0,0,1,0|2,0,0]=4 3494 B17R2.24117 Cc1cccc(c1[N+](=O)[O-])NC2CCCC2 34a_100011424894_100000179811 [0,1,0,0,1,0|1,0,1]=4 3495 B17R2.24117 NC(=O)c1c(cccc1NC2CCCC2)Cl 34a_100000764435_100000179811 [0,1,0,0,1,0|1,0,0]=3 3496 B17R2.24117 NC(=O)c1c(cccc1NC2CCCC2)Cl 7a_100000764435_100000179811 [0,1,0,0,1,0|1,0,0]=3 3497 B17R2.24117 NC(=O)c1c(cccc1NC2CCCC2)F 27a_100000211070_100011219063 [0,1,0,0,1,0|1,0,0]=3 3498 B17R2.24117 NC(=O)c1c(cccc1NC2CCCC2)F 34a_100000036109_100000179811 [0,1,0,0,1,0|1,0,0]=3 3499 B17R2.24117 NC(=O)c1c(cccc1NC2CCCC2)F 7a_100000036109_100000179811 [0,1,0,0,1,0|1,0,0]=3 3500 B17R2.24117 NC(=O)c1c(cccc1NC2CCOC2)Cl 34a_100000764435_100000690089 [0,1,0,0,1,0|2,0,0]=4 3501 B17R2.24117 NC(=O)c1c(cccc1NC2CCOC2)Cl 7a_100000764435_100000731011 [0,1,0,0,1,0|2,0,0]=4 3502 B17R2.24117 NC(=O)c1c(cccc1NC2CCOC2)F 34a_100000036109_100000690089 [0,1,0,0,1,0|2,0,0]=4 3503 B17R2.24117 NC(=O)c1c(cccc1NC2CCOC2)F 7a_100000036109_100000731011 [0,1,0,0,1,0|2,0,0]=4 3504 B17R2.24117 NC(=O)c1c(cccc1N[C@@H]2CCOC2)F 27a_200015188469_100011219063 [0,1,0,0,1,0|2,0,0]=4 3505 B17R2.24117 NC(=O)c1c(cccc1N[C@H]2CCOC2)F 27a_100015188467_100011219063 [0,1,0,0,1,0|2,0,0]=4 3506 B17R2.24117 NC(=O)c1c(cccc1OC2CCCC2)F 34a_100000701607_100000179811 [0,1,0,0,1,0|2,0,0]=4 3507 B17R2.24117 NC(=O)c1c(cccc1OC2CCCC2)F 7a_100000701607_100000179811 [0,1,0,0,1,0|2,0,0]=4 3508 B17R2.24117 NC(=O)c1c(cccc1SC2CCCC2)Cl 62a_100010147686_100000179811 [0,1,0,0,1,0|2,0,0]=4 3509 B17R2.24117 NC(=O)c1c(cccc1SC2CCCC2)F 62a_100011219063_100000179811 [0,1,0,0,1,0|2,0,0]=4 3510 B17R2.24117 O=[N+]([O-])c1c(cccc1NC2CCCC2)F 34a_100011219493_100000179811 [0,1,0,0,1,0|1,0,1]=4 3511 B17R2.42580 CC(=O)c1ccc(cc1NC2CCCC2)F 27a_100000211070_100000686192 [0,1,0,0,1,0|1,0,0]=3 3512 B17R2.42580 CC(=O)c1ccc(cc1N[C@@H]2CCOC2)F 27a_200015188469_100000686192 [0,1,0,0,1,0|2,0,0]=4 3513 B17R2.42580 CC(=O)c1ccc(cc1N[C@H]2CCOC2)F 27a_100015188467_100000686192 [0,1,0,0,1,0|2,0,0]=4 3514 B17R2.42580 CC(=O)c1ccc(cc1OC2CCCC2)Br 7a_100000188348_100000179811 [0,1,0,0,1,0|2,0,0]=4 3515 B17R2.42580 CC(=O)c1ccc(cc1OC2CCCC2)C 34a_100000234885_100000179811 [0,1,0,0,1,0|2,0,0]=4 3516 B17R2.42580 CC(=O)c1ccc(cc1OC2CCCC2)C 7a_100000234885_100000179811 [0,1,0,0,1,0|2,0,0]=4 3517 B17R2.42580 CC(=O)c1ccc(cc1OC2CCCC2)Cl 34a_100000061402_100000179811 [0,1,0,0,1,0|2,0,0]=4 3518 B17R2.42580 CC(=O)c1ccc(cc1OC2CCCC2)Cl 7a_100000061402_100000179811 [0,1,0,0,1,0|2,0,0]=4 3519 B17R2.42580 CC(=O)c1ccc(cc1OC2CCCC2)F 7a_100011215782_100000179811 [0,1,0,0,1,0|2,0,0]=4 3520 B17R2.42580 CC(=O)c1ccc(cc1SC2CCCC2)C 62a_100011217020_100012353930 [0,1,0,0,1,0|2,0,0]=4 3521 B17R2.42580 CC(=O)c1ccc(cc1SC2CCCC2)C 62a_100012353930_100000179811 [0,1,0,0,1,0|2,0,0]=4 3522 B17R2.42580 CC(=O)c1ccc(cc1SC2CCCC2)F 62a_100000686192_100000179811 [0,1,0,0,1,0|2,0,0]=4 3523 B17R2.42580 CC(=O)c1ccc(cc1SC2CCCC2)O 62a_100012340537_100000179811 [0,1,0,0,1,0|2,0,0]=4 3524 B17R2.42580 Cc1ccc(c(c1)NC2CCCC2)C(=O)N 34a_100011219537_100000179811 [0,1,0,0,1,0|1,0,0]=3 3525 B17R2.42580 Cc1ccc(c(c1)NC2CCCC2)C(=O)N 7a_100011219537_100000179811 [0,1,0,0,1,0|1,0,0]=3 3526 B17R2.42580 Cc1ccc(c(c1)NC2CCOC2)C(=O)N 34a_100011219537_100000690089 [0,1,0,0,1,0|2,0,0]=4 3527 B17R2.42580 Cc1ccc(c(c1)NC2CCOC2)C(=O)N 7a_100011219537_100000731011 [0,1,0,0,1,0|2,0,0]=4 3528 B17R2.42580 Cc1ccc(c(c1)OC2CCCC2)C(=O)N 34a_100000192831_100000179811 [0,1,0,0,1,0|2,0,0]=4 3529 B17R2.42580 Cc1ccc(c(c1)OC2CCCC2)C(=O)N 7a_100000192831_100000179811 [0,1,0,0,1,0|2,0,0]=4 3530 B17R2.42580 Cc1ccc(c(n1)NC2CCCC2)C(=O)N 27a_100000211070_100000041523 [0,1,0,0,1,0|2,0,0]=4 3531 B17R2.42580 NC(=O)c1ccc(cc1NC2CCCC2)Br 27a_100000211070_100009815748 [0,1,0,0,1,0|1,0,0]=3 3532 B17R2.42580 NC(=O)c1ccc(cc1NC2CCCC2)Br 7a_100012349972_100000179811 [0,1,0,0,1,0|1,0,0]=3 3533 B17R2.42580 NC(=O)c1ccc(cc1NC2CCCC2)Cl 34a_100000738103_100000179811 [0,1,0,0,1,0|1,0,0]=3 3534 B17R2.42580 NC(=O)c1ccc(cc1NC2CCCC2)Cl 7a_100000738103_100000179811 [0,1,0,0,1,0|1,0,0]=3 3535 B17R2.42580 NC(=O)c1ccc(cc1NC2CCCC2)F 27a_100000211070_100000206404 [0,1,0,0,1,0|1,0,0]=3 3536 B17R2.42580 NC(=O)c1ccc(cc1NC2CCCC2)F 34a_100011298637_100000179811 [0,1,0,0,1,0|1,0,0]=3 3537 B17R2.42580 NC(=O)c1ccc(cc1NC2CCOC2)Br 7a_100012349972_100000731011 [0,1,0,0,1,0|2,0,0]=4 3538 B17R2.42580 NC(=O)c1ccc(cc1NC2CCOC2)Cl 34a_100000738103_100000690089 [0,1,0,0,1,0|2,0,0]=4 3539 B17R2.42580 NC(=O)c1ccc(cc1NC2CCOC2)Cl 7a_100000738103_100000731011 [0,1,0,0,1,0|2,0,0]=4 3540 B17R2.42580 NC(=O)c1ccc(cc1NC2CCOC2)F 34a_100011298637_100000690089 [0,1,0,0,1,0|2,0,0]=4 3541 B17R2.42580 NC(=O)c1ccc(cc1N[C@@H]2CCOC2)Br 27a_200015188469_100009815748 [0,1,0,0,1,0|2,0,0]=4 3542 B17R2.42580 NC(=O)c1ccc(cc1N[C@@H]2CCOC2)F 27a_200015188469_100000206404 [0,1,0,0,1,0|2,0,0]=4 3543 B17R2.42580 NC(=O)c1ccc(cc1N[C@H]2CCOC2)Br 27a_100015188467_100009815748 [0,1,0,0,1,0|2,0,0]=4 3544 B17R2.42580 NC(=O)c1ccc(cc1N[C@H]2CCOC2)F 27a_100015188467_100000206404 [0,1,0,0,1,0|2,0,0]=4 3545 B17R2.42580 NC(=O)c1ccc(cc1OC2CCCC2)Br 34a_100011550861_100000179811 [0,1,0,0,1,0|2,0,0]=4 3546 B17R2.42580 NC(=O)c1ccc(cc1OC2CCCC2)Br 7a_100011550861_100000179811 [0,1,0,0,1,0|2,0,0]=4 3547 B17R2.42580 NC(=O)c1ccc(cc1OC2CCCC2)Cl 34a_100000192836_100000179811 [0,1,0,0,1,0|2,0,0]=4 3548 B17R2.42580 NC(=O)c1ccc(cc1OC2CCCC2)Cl 7a_100000192836_100000179811 [0,1,0,0,1,0|2,0,0]=4 3549 B17R2.42580 NC(=O)c1ccc(cc1OC2CCCC2)N 34a_100000223280_100000179811 [0,1,0,0,1,0|2,0,0]=4 3550 B17R2.42580 NC(=O)c1ccc(cc1OC2CCCC2)N 7a_100000223280_100000179811 [0,1,0,0,1,0|2,0,0]=4 3551 B17R2.42580 NC(=O)c1ccc(cc1SC2CCCC2)Br 62a_100009815748_100000179811 [0,1,0,0,1,0|2,0,0]=4 3552 B17R2.42580 NC(=O)c1ccc(cc1SC2CCCC2)F 62a_100000206404_100000179811 [0,1,0,0,1,0|2,0,0]=4 3553 B17R2.42580 NC(=O)c1ccc(cc1SC2CCCC2)F 62a_100011217020_100000206404 [0,1,0,0,1,0|2,0,0]=4 3554 B17R2.42580 O=[N+]([O-])c1ccc(cc1NC2CCCC2)F 34a_100000746377_100000179811 [0,1,0,0,1,0|1,0,1]=4 3555 B17R2.42609 C=C(C)c1cc(ccc1NC2CCCC2)F 34a_100009961556_100000179811 [0,1,0,0,1,0|2,0,0]=4 3556 B17R2.42609 CC(=O)c1cc(ccc1OC2CCCC2)Br 34a_100000212127_100000179811 [0,1,0,0,1,0|2,0,0]=4 3557 B17R2.42609 CC(=O)c1cc(ccc1OC2CCCC2)Br 7a_100000212127_100000179811 [0,1,0,0,1,0|2,0,0]=4 3558 B17R2.42609 CC(=O)c1cc(ccc1OC2CCCC2)C 34a_100000195442_100000179811 [0,1,0,0,1,0|2,0,0]=4 3559 B17R2.42609 CC(=O)c1cc(ccc1OC2CCCC2)C 7a_100000195442_100000179811 [0,1,0,0,1,0|2,0,0]=4 3560 B17R2.42609 CC(=O)c1cc(ccc1OC2CCCC2)Cl 34a_100000185566_100000179811 [0,1,0,0,1,0|2,0,0]=4 3561 B17R2.42609 CC(=O)c1cc(ccc1OC2CCCC2)Cl 7a_100000185566_100000179811 [0,1,0,0,1,0|2,0,0]=4 3562 B17R2.42609 CC(=O)c1cc(ccc1OC2CCCC2)F 7a_100000182812_100000179811 [0,1,0,0,1,0|2,0,0]=4 3563 B17R2.42609 CC(=O)c1cc(ccc1OC2CCCC2)I 7a_100010712555_100000179811 [0,1,0,0,1,0|2,0,0]=4 3564 B17R2.42609 CC(=O)c1cc(ccc1OC2CCCC2)N 34a_100011218865_100000179811 [0,1,0,0,1,0|2,0,0]=4 3565 B17R2.42609 CC(=O)c1cc(ccc1SC2CCCC2)Br 62a_100012349576_100000179811 [0,1,0,0,1,0|2,0,0]=4 3566 B17R2.42609 CC(=O)c1cc(ccc1SC2CCCC2)C 62a_100011217020_100012361225 [0,1,0,0,1,0|2,0,0]=4 3567 B17R2.42609 CC(=O)c1cc(ccc1SC2CCCC2)C 62a_100012361225_100000179811 [0,1,0,0,1,0|2,0,0]=4 3568 B17R2.42609 CC(=O)c1cc(ccc1SC2CCCC2)F 62a_100011217020_100010200798 [0,1,0,0,1,0|2,0,0]=4 3569 B17R2.42609 CC(=O)c1cc(ccc1SC2CCCC2)F 62a_100012353695_100000179811 [0,1,0,0,1,0|2,0,0]=4 3570 B17R2.42609 CC(=O)c1cc(ccc1SC2CCCC2)N 62a_100012349454_100000179811 [0,1,0,0,1,0|2,0,0]=4 3571 B17R2.42609 Cc1ccc(c(c1)C(=O)N)NC2CCCC2 34a_100011692829_100000179811 [0,1,0,0,1,0|1,0,0]=3 3572 B17R2.42609 Cc1ccc(c(c1)C(=O)N)NC2CCOC2 34a_100011692829_100000690089 [0,1,0,0,1,0|2,0,0]=4 3573 B17R2.42609 Cc1ccc(c(c1)C(=O)N)OC2CCCC2 34a_200000192840_100000179811 [0,1,0,0,1,0|2,0,0]=4 3574 B17R2.42609 Cc1ccc(c(c1)C(=O)N)OC2CCCC2 7a_200000192840_100000179811 [0,1,0,0,1,0|2,0,0]=4 3575 B17R2.42609 Cc1ccc(c(c1)C(=O)N)SC2CCCC2 62a_100011217020_200012349609 [0,1,0,0,1,0|2,0,0]=4 3576 B17R2.42609 Cc1ccc(c(c1)C(=O)N)SC2CCCC2 62a_200012349609_100000179811 [0,1,0,0,1,0|2,0,0]=4 3577 B17R2.42609 NC(=O)c1cc(ccc1NC2CCCC2)Br 27a_100000211070_200000162314 [0,1,0,0,1,0|1,0,0]=3 3578 B17R2.42609 NC(=O)c1cc(ccc1NC2CCCC2)Br 34a_100000740421_100000179811 [0,1,0,0,1,0|1,0,0]=3 3579 B17R2.42609 NC(=O)c1cc(ccc1NC2CCCC2)Br 7a_100000740421_100000179811 [0,1,0,0,1,0|1,0,0]=3 3580 B17R2.42609 NC(=O)c1cc(ccc1NC2CCCC2)Cl 34a_100000743835_100000179811 [0,1,0,0,1,0|1,0,0]=3 3581 B17R2.42609 NC(=O)c1cc(ccc1NC2CCCC2)Cl 7a_100000743835_100000179811 [0,1,0,0,1,0|1,0,0]=3 3582 B17R2.42609 NC(=O)c1cc(ccc1NC2CCCC2)F 34a_100000741173_100000179811 [0,1,0,0,1,0|1,0,0]=3 3583 B17R2.42609 NC(=O)c1cc(ccc1NC2CCCC2)F 7a_100000741173_100000179811 [0,1,0,0,1,0|1,0,0]=3 3584 B17R2.42609 NC(=O)c1cc(ccc1NC2CCOC2)Br 34a_100000740421_100000690089 [0,1,0,0,1,0|2,0,0]=4 3585 B17R2.42609 NC(=O)c1cc(ccc1NC2CCOC2)Br 7a_100000740421_100000731011 [0,1,0,0,1,0|2,0,0]=4 3586 B17R2.42609 NC(=O)c1cc(ccc1NC2CCOC2)Cl 34a_100000743835_100000690089 [0,1,0,0,1,0|2,0,0]=4 3587 B17R2.42609 NC(=O)c1cc(ccc1NC2CCOC2)Cl 7a_100000743835_100000731011 [0,1,0,0,1,0|2,0,0]=4 3588 B17R2.42609 NC(=O)c1cc(ccc1NC2CCOC2)F 34a_100000741173_100000690089 [0,1,0,0,1,0|2,0,0]=4 3589 B17R2.42609 NC(=O)c1cc(ccc1NC2CCOC2)F 7a_100000741173_100000731011 [0,1,0,0,1,0|2,0,0]=4 3590 B17R2.42609 NC(=O)c1cc(ccc1N[C@@H]2CCOC2)Br 27a_200015188469_200000162314 [0,1,0,0,1,0|2,0,0]=4 3591 B17R2.42609 NC(=O)c1cc(ccc1N[C@H]2CCOC2)Br 27a_100015188467_200000162314 [0,1,0,0,1,0|2,0,0]=4 3592 B17R2.42609 NC(=O)c1cc(ccc1OC2CCCC2)Br 34a_100000192807_100000179811 [0,1,0,0,1,0|2,0,0]=4 3593 B17R2.42609 NC(=O)c1cc(ccc1OC2CCCC2)Br 7a_100000192807_100000179811 [0,1,0,0,1,0|2,0,0]=4 3594 B17R2.42609 NC(=O)c1cc(ccc1OC2CCCC2)Cl 34a_100000185026_100000179811 [0,1,0,0,1,0|2,0,0]=4 3595 B17R2.42609 NC(=O)c1cc(ccc1OC2CCCC2)Cl 7a_100000185026_100000179811 [0,1,0,0,1,0|2,0,0]=4 3596 B17R2.42609 NC(=O)c1cc(ccc1OC2CCCC2)F 34a_100012186459_100000179811 [0,1,0,0,1,0|2,0,0]=4 3597 B17R2.42609 NC(=O)c1cc(ccc1OC2CCCC2)F 7a_100012186459_100000179811 [0,1,0,0,1,0|2,0,0]=4 3598 B17R2.42609 NC(=O)c1cc(ccc1OC2CCCC2)I 34a_100000192813_100000179811 [0,1,0,0,1,0|2,0,0]=4 3599 B17R2.42609 NC(=O)c1cc(ccc1OC2CCCC2)I 7a_100000192813_100000179811 [0,1,0,0,1,0|2,0,0]=4 3600 B17R2.42609 NC(=O)c1cc(ccc1SC2CCCC2)Br 62a_200000162314_100000179811 [0,1,0,0,1,0|2,0,0]=4 3601 B17R2.42609 NC(=O)c1cc(ccc1SC2CCCC2)F 62a_100000206434_100000179811 [0,1,0,0,1,0|2,0,0]=4 3602 B17R2.42609 NC(=O)c1cc(ccc1SC2CCCC2)F 62a_100011217020_100000206434 [0,1,0,0,1,0|2,0,0]=4 3603 B17R2.42609 NC(=O)c1cc(ccc1SC2CCCC2)N 62a_100015186447_100000179811 [0,1,0,0,1,0|2,0,0]=4 3604 B17R2.42609 NC(=O)c1cc(cnc1NC2CCCC2)F 27a_100000211070_100012183597 [0,1,0,0,1,0|2,0,0]=4 3605 B17R2.42609 O=C(O)c1cc(ccc1SC2CCCC2)Br 62a_100011072988_100000179811 [0,1,0,0,1,0|1,0,0]=3 3606 B17R2.42609 O=C(O)c1cc(ccc1SC2CCOC2)Br 62a_100011072988_100000690089 [0,1,0,0,1,0|2,0,0]=4 3607 B17R2.42609 O=[N+]([O-])c1cc(ccc1NC2CCCC2)F 34a_100000187532_100000179811 [0,1,0,0,1,0|1,0,1]=4 3608 B19R2.7525 CC(=O)c1cccnc1NCC2CCCCC2O 27a_100011216029_100009816689 [0,1,0,0,0,1|2,0,0]=4 3609 B19R2.7525 CC(=O)c1cnccc1NCC2CCCCC2O 27a_100011216029_100160469449 [0,1,0,0,0,1|2,0,0]=4 3610 B19R2.7525 CC1CCCCC1NCc2ccccc2B(O)O 2230a_100000211402_100009814197 [0,1,0,0,0,1|1,0,1]=4 3611 B19R2.7525 CC1CCCCC1NCc2ccccc2B(O)O 34a_100000211402_100009814197 [0,1,0,0,0,1|1,0,1]=4 3612 B19R2.7525 CC1CCCCC1NCc2ccccc2[N+](=O)[O-] 2230a_100000211402_100000181388 [0,1,0,0,0,1|1,0,1]=4 3613 B19R2.7525 CC1CCCCC1NCc2ccccc2[N+](=O)[O-] 269862a_100000740939_100000210921 [0,1,0,0,0,1|1,0,1]=4 3614 B19R2.7525 CC1CCCCC1NCc2ccccc2[N+](=O)[O-] 270004a_100000211402_100000186027 [0,1,0,0,0,1|1,0,1]=4 3615 B19R2.7525 CC1CCCCC1NCc2ccccc2[N+](=O)[O-] 270004a_100000740939_100000210921 [0,1,0,0,0,1|1,0,1]=4 3616 B19R2.7525 CC1CCCCC1NCc2ccccc2[N+](=O)[O-] 34a_100000211402_100000181388 [0,1,0,0,0,1|1,0,1]=4 3617 B19R2.7525 CN1CCCCC1CNc2ccccc2C(=O)N 34a_100000185089_100015186950 [0,1,0,0,0,1|2,0,0]=4 3618 B19R2.7525 CN1CCCCC1CSc2ccccc2C(=O)O 62a_100015185383_100000734275 [0,1,0,0,0,1|2,0,0]=4 3619 B19R2.7525 CN1CCCCC1CSc2ccccc2C(=O)O 62a_202125556159_100015185383 [0,1,0,0,0,1|2,0,0]=4 3620 B19R2.7525 NC(=O)c1cccnc1NCC2CCCCC2O 27a_100011216029_100000162199 [0,1,0,0,0,1|2,0,0]=4 3621 B19R2.7525 NC(=O)c1cnccc1NCC2CCCCC2O 27a_100011216029_100000697804 [0,1,0,0,0,1|2,0,0]=4 3622 B19R2.7525 NC(=O)c1ncccc1NCC2CCCCC2O 27a_100011216029_200012359670 [0,1,0,0,0,1|2,0,0]=4 3623 B19R2.7525 O=C(O)c1ccccc1CNC2CCCCC2=O 269956a_100015183376_100000204591 [0,1,0,0,0,1|0,0,1]=3 3624 B19R2.7525 O=C(O)c1ccccc1CNC2CCCCC2F 269956a_100015183376_100015423560 [0,1,0,0,0,1|0,0,0]=2 3625 B19R2.7525 O=C(O)c1ccccc1CNC2CCCCC2O 269956a_100015183376_100000038908 [0,1,0,0,0,1|0,0,0]=2 3626 B19R2.7525 O=C(O)c1ccccc1CNC2CCCNC2=O 269956a_100015183376_100000687798 [0,1,0,0,0,1|1,0,1]=4 3627 B19R2.7525 O=C(O)c1ccccc1CNC2COCCC2=O 269956a_100015183376_100012180262 [0,1,0,0,0,1|1,0,1]=4 3628 B19R2.7525 O=[N+]([O-])c1ccccc1CN[C@@H]2CCCC[C@@H]2O 270004a_100015191688_100000186027 [0,1,0,0,0,1|1,0,1]=4 3629 B19R2.7525 O=[N+]([O-])c1ccccc1CN[C@@H]2CCCC[C@H]2F 2230a_100015195156_100000181388 [0,1,0,0,0,1|1,0,1]=4 3630 B19R2.7525 O=[N+]([O-])c1ccccc1CN[C@@H]2CCCC[C@H]2F 270004a_100015195156_100000186027 [0,1,0,0,0,1|1,0,1]=4 3631 B19R2.7525 O=[N+]([O-])c1ccccc1CN[C@@H]2CCCC[C@H]2F 34a_100015195156_100000181388 [0,1,0,0,0,1|1,0,1]=4 3632 B19R2.7525 OB(O)c1ccccc1CN[C@@H]2CCCC[C@H]2F 2230a_100015195156_100009814197 [0,1,0,0,0,1|1,0,1]=4 3633 B19R2.7525 OB(O)c1ccccc1CN[C@@H]2CCCC[C@H]2F 34a_100015195156_100009814197 [0,1,0,0,0,1|1,0,1]=4 3634 B19R2.8825 C=C(C)c1ccccc1C(=O)NC2CCCCC2 271570a_100000694244_200000153393 [0,1,0,0,0,1|2,0,0]=4 3635 B19R2.8825 CC(=O)c1cccnc1N(C)CC2CCCCC2 27a_100000736448_100009816689 [0,1,0,0,0,1|2,0,0]=4 3636 B19R2.8825 CC(=O)c1cnccc1N(C)CC2CCCCC2 27a_100000736448_100160469449 [0,1,0,0,0,1|2,0,0]=4 3637 B19R2.8825 CN(CC1CCCCC1)c2ccccc2C(=O)N 269982a_100000184419_100000211423 [0,1,0,0,0,1|1,0,0]=3 3638 B19R2.8825 CN(CC1CCCCC1)c2ccccc2[N+](=O)[O-] 2230a_100000156515_100000211423 [0,1,0,0,0,1|1,0,1]=4 3639 B19R2.8825 CN(CC1CCCCC1)c2ccccc2[N+](=O)[O-] 269982a_100000156515_100000211423 [0,1,0,0,0,1|1,0,1]=4 3640 B19R2.8825 CN(CC1CCCCC1)c2cccnc2C(=O)N 27a_100000736448_200012359670 [0,1,0,0,0,1|2,0,0]=4 3641 B19R2.8825 CN(CC1CCCCC1)c2ccncc2C(=O)N 27a_100000736448_100000697804 [0,1,0,0,0,1|2,0,0]=4 3642 B19R2.8825 CN(CC1CCCCC1)c2ncccc2C(=O)N 27a_100000736448_100000162199 [0,1,0,0,0,1|2,0,0]=4 3643 B19R2.8825 CN(CC1CCCCO1)c2ccccc2C(=O)N 269982a_100000184419_100000211543 [0,1,0,0,0,1|2,0,0]=4 3644 B19R2.8825 CN(CC1CCCOC1)c2ccccc2C(=O)N 269982a_100000184419_100000741521 [0,1,0,0,0,1|2,0,0]=4 3645 B19R2.8825 CN(CC1CCOCC1)c2ccccc2C(=O)N 269982a_100000184419_100000754603 [0,1,0,0,0,1|2,0,0]=4 3646 B19R2.8825 CS(=O)c1ccccc1C(=O)NC2CCCCC2 1626a_100000182618_100000204632 [0,1,0,0,0,1|2,0,0]=4 3647 B19R2.8825 CS(=O)c1ccccc1C(=O)NC2CCCCC2 240690a_100000182618_100000204632 [0,1,0,0,0,1|2,0,0]=4 3648 B19R2.8825 C[C@@H](NC1CCCCC1)c2ccccc2[N+](=O)[O-] 270004a_100025717333_100000210434 [0,1,0,0,0,1|1,0,1]=4 3649 B19R2.8825 O=C(NC1CCCCC1)c2ccccc2I(=O)=O 1626a_100000182618_100000061294 [0,1,0,0,0,1|1,0,1]=4 3650 B19R2.8825 O=C(NC1CCCCC1)c2ccccc2I(=O)=O 240690a_100000182618_100000061294 [0,1,0,0,0,1|1,0,1]=4 3651 B19R2.8825 O=C(NC1CCCCC1)c2ccccc2[N+](=O)[O-] 11a_100000182618_100000188706 [0,1,0,0,0,1|1,0,1]=4 3652 B19R2.8825 O=C(NC1CCCCC1)c2ccccc2[N+](=O)[O-] 1626a_100000182618_100000188706 [0,1,0,0,0,1|1,0,1]=4 3653 B19R2.8825 O=C(NC1CCCCC1)c2ccccc2[N+](=O)[O-] 240690a_100000182618_100000188706 [0,1,0,0,0,1|1,0,1]=4 3654 B19R2.8825 O=C(NC1CCCCC1)c2ccccc2[N+](=O)[O-] 527a_100000182618_100000188706 [0,1,0,0,0,1|1,0,1]=4 3655 B19R2.8831 C=C(C)c1ccccc1NC(=O)C2CCCCC2 11a_100000037685_100000210647 [0,1,0,0,0,1|2,0,0]=4 3656 B19R2.8831 C=C(C)c1ccccc1NC(=O)C2CCCCC2 1626a_100000037685_100000210647 [0,1,0,0,0,1|2,0,0]=4 3657 B19R2.8831 C=C(C)c1ccccc1NC(=O)C2CCCCC2 22a_100000037685_100000210647 [0,1,0,0,0,1|2,0,0]=4 3658 B19R2.8831 CC(=O)c1cccnc1N[C@H](C)C2CCCCC2 27a_100025707633_100009816689 [0,1,0,0,0,1|2,0,0]=4 3659 B19R2.8831 CC(=O)c1cnccc1N[C@H](C)C2CCCCC2 27a_100025707633_100160469449 [0,1,0,0,0,1|2,0,0]=4 3660 B19R2.8831 CN(Cc1ccccc1B(O)O)C2CCCCC2 2230a_100000207522_100009814197 [0,1,0,0,0,1|1,0,1]=4 3661 B19R2.8831 CN(Cc1ccccc1B(O)O)C2CCCCC2 269982a_100000207522_100009814197 [0,1,0,0,0,1|1,0,1]=4 3662 B19R2.8831 CN(Cc1ccccc1B(O)O)C2CCCCC2 34a_100000207522_100009814197 [0,1,0,0,0,1|1,0,1]=4 3663 B19R2.8831 CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 2230a_100000207522_100000181388 [0,1,0,0,0,1|1,0,1]=4 3664 B19R2.8831 CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 2230a_200015183810_200000210301 [0,1,0,0,0,1|1,0,1]=4 3665 B19R2.8831 CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 269982a_100000207522_100000181388 [0,1,0,0,0,1|1,0,1]=4 3666 B19R2.8831 CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 269982a_100000737654_100000210327 [0,1,0,0,0,1|1,0,1]=4 3667 B19R2.8831 CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 269982a_200015183810_200000210301 [0,1,0,0,0,1|1,0,1]=4 3668 B19R2.8831 CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 270004a_100000207522_100000186027 [0,1,0,0,0,1|1,0,1]=4 3669 B19R2.8831 CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 270004a_100000737654_100000210434 [0,1,0,0,0,1|1,0,1]=4 3670 B19R2.8831 CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 34a_100000207522_100000181388 [0,1,0,0,0,1|1,0,1]=4 3671 B19R2.8831 CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 34a_200015183810_200000210301 [0,1,0,0,0,1|1,0,1]=4 3672 B19R2.8831 C[C@@H](Nc1cccnc1C(=O)N)C2CCCCC2 27a_100025707633_200012359670 [0,1,0,0,0,1|2,0,0]=4 3673 B19R2.8831 C[C@@H](Nc1ccncc1C(=O)N)C2CCCCC2 27a_100025707633_100000697804 [0,1,0,0,0,1|2,0,0]=4 3674 B19R2.8831 C[C@@H](Nc1ncccc1C(=O)N)C2CCCCC2 27a_100025707633_100000162199 [0,1,0,0,0,1|2,0,0]=4 3675 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCCCC2 11a_100000185089_100000210647 [0,1,0,0,0,1|1,0,0]=3 3676 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCCCC2 1626a_100000185089_100000210647 [0,1,0,0,0,1|1,0,0]=3 3677 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCCCC2 22a_100000185089_100000210647 [0,1,0,0,0,1|1,0,0]=3 3678 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCCCO2 11a_100000185089_100000748299 [0,1,0,0,0,1|2,0,0]=4 3679 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCCCO2 1626a_100000185089_100000748299 [0,1,0,0,0,1|2,0,0]=4 3680 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCCCO2 22a_100000185089_100000748299 [0,1,0,0,0,1|2,0,0]=4 3681 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCCOC2 11a_100000185089_100000741522 [0,1,0,0,0,1|2,0,0]=4 3682 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCCOC2 1626a_100000185089_100000741522 [0,1,0,0,0,1|2,0,0]=4 3683 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCCOC2 22a_100000185089_100000741522 [0,1,0,0,0,1|2,0,0]=4 3684 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCOCC2 11a_100000185089_100000195482 [0,1,0,0,0,1|2,0,0]=4 3685 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCOCC2 1626a_100000185089_100000195482 [0,1,0,0,0,1|2,0,0]=4 3686 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCOCC2 22a_100000185089_100000195482 [0,1,0,0,0,1|2,0,0]=4 3687 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCSCC2 11a_100000185089_100000755232 [0,1,0,0,0,1|2,0,0]=4 3688 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCSCC2 1626a_100000185089_100000755232 [0,1,0,0,0,1|2,0,0]=4 3689 B19R2.8831 NC(=O)c1ccccc1NC(=O)C2CCSCC2 22a_100000185089_100000755232 [0,1,0,0,0,1|2,0,0]=4 3690 B19R2.8831 NC(=S)c1ccccc1NC(=O)C2CCCCC2 1626a_100000206033_100000210647 [0,1,0,0,0,1|1,1,0]=4 3691 B19R2.8831 [13CH3]N(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 2230a_200015183810_200025704644 [0,1,0,0,0,1|1,0,1]=4 3692 B19R2.8831 [13CH3]N(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 269982a_200015183810_200025704644 [0,1,0,0,0,1|1,0,1]=4 3693 B19R2.8831 [13CH3]N(Cc1ccccc1[N+](=O)[O-])C2CCCCC2 34a_200015183810_200025704644 [0,1,0,0,0,1|1,0,1]=4 3694 B19R2.12239 CC(=O)c1cccnc1NCC2CCC(CC2)C 27a_103436935547_100009816689 [0,1,0,0,0,1|2,0,0]=4 3695 B19R2.12239 CC(=O)c1cnccc1NCC2CCC(CC2)C 27a_103436935547_100160469449 [0,1,0,0,0,1|2,0,0]=4 3696 B19R2.12239 CC1CCC(CC1)CNc2cccnc2C(=O)N 27a_103436935547_200012359670 [0,1,0,0,0,1|2,0,0]=4 3697 B19R2.12239 CC1CCC(CC1)CNc2ccncc2C(=O)N 27a_103436935547_100000697804 [0,1,0,0,0,1|2,0,0]=4 3698 B19R2.12239 CC1CCC(CC1)CNc2ncccc2C(=O)N 27a_103436935547_100000162199 [0,1,0,0,0,1|2,0,0]=4 3699 B19R2.12239 CC1CCC(CC1)NCc2ccccc2C(=O)O 269956a_100015183376_200011216234 [0,1,0,0,0,1|0,0,0]=2 3700 B19R2.12239 CC1CCC(CC1)NCc2ccccc2[N+](=O)[O-] 270004a_100000740939_100000185489 [0,1,0,0,0,1|1,0,1]=4 3701 B19R2.12239 CN1CCC(CC1)CSc2ccccc2C(=O)O 62a_100015183002_100000734275 [0,1,0,0,0,1|2,0,0]=4 3702 B19R2.12239 CN1CCC(CC1)CSc2ccccc2C(=O)O 62a_202125556159_100015183002 [0,1,0,0,0,1|2,0,0]=4 3703 B19R2.12239 CN1CCC(CC1)NCc2ccccc2C(=O)O 269956a_100015183376_100011215917 [0,1,0,0,0,1|1,0,0]=3 3704 B19R2.12239 C[C@H]1CC[C@@H](CC1)NCc2ccccc2B(O)O 2230a_100020625639_100009814197 [0,1,0,0,0,1|1,0,1]=4 3705 B19R2.12239 C[C@H]1CC[C@@H](CC1)NCc2ccccc2B(O)O 34a_100020625639_100009814197 [0,1,0,0,0,1|1,0,1]=4 3706 B19R2.12239 C[C@H]1CC[C@@H](CC1)NCc2ccccc2[N+](=O)[O-] 2230a_100020625639_100000181388 [0,1,0,0,0,1|1,0,1]=4 3707 B19R2.12239 C[C@H]1CC[C@@H](CC1)NCc2ccccc2[N+](=O)[O-] 270004a_100020625639_100000186027 [0,1,0,0,0,1|1,0,1]=4 3708 B19R2.12239 C[C@H]1CC[C@@H](CC1)NCc2ccccc2[N+](=O)[O-] 34a_100020625639_100000181388 [0,1,0,0,0,1|1,0,1]=4 3709 B19R2.12239 O=[N+]([O-])c1ccccc1CNC2CCC(CC2)O 270004a_100000740939_100000764474 [0,1,0,0,0,1|1,0,1]=4 3710 B19R2.12239 O=[N+]([O-])c1ccccc1CN[C@H]2CC[C@H](CC2)O 270004a_100020628982_100000186027 [0,1,0,0,0,1|1,0,1]=4 3711 B19R2.12753 CC(=NO)c1ccccc1OCC2CCCCC2 34a_100000164216_100000211423 [0,1,0,0,0,1|2,0,0]=4 3712 B19R2.12753 CCC(=O)c1ccccc1OCC2CCCCC2 7a_100000184720_100000211423 [0,1,0,0,0,1|2,0,0]=4 3713 B19R2.12753 CNC(=O)c1ccccc1C=CC2CCCCC2 271570a_100016283615_100000155073 [0,1,0,0,0,1|2,0,0]=4 3714 B19R2.12753 CNC(=O)c1ccccc1COC2CCCCC2 34a_100009855793_100000210327 [0,1,0,0,0,1|2,0,0]=4 3715 B19R2.12753 CNC(=O)c1ccccc1COC2CCCCC2 7a_100009855793_100000210327 [0,1,0,0,0,1|2,0,0]=4 3716 B19R2.12753 CNC(=O)c1ccccc1NCC2CCCCC2 27a_100000210473_100000155073 [0,1,0,0,0,1|1,0,0]=3 3717 B19R2.12753 CNC(=O)c1ccccc1NCC2CCCCC2 34a_100000185696_100000211423 [0,1,0,0,0,1|1,0,0]=3 3718 B19R2.12753 CNC(=O)c1ccccc1NCC2CCCCO2 27a_100000174945_100000155073 [0,1,0,0,0,1|2,0,0]=4 3719 B19R2.12753 CNC(=O)c1ccccc1NCC2CCCCO2 34a_100000185696_100000211543 [0,1,0,0,0,1|2,0,0]=4 3720 B19R2.12753 CNC(=O)c1ccccc1NCC2CCCOC2 27a_100000720124_100000155073 [0,1,0,0,0,1|2,0,0]=4 3721 B19R2.12753 CNC(=O)c1ccccc1NCC2CCCOC2 34a_100000185696_100000741521 [0,1,0,0,0,1|2,0,0]=4 3722 B19R2.12753 CNC(=O)c1ccccc1NCC2CCOCC2 27a_100000746373_100000155073 [0,1,0,0,0,1|2,0,0]=4 3723 B19R2.12753 CNC(=O)c1ccccc1NCC2CCOCC2 34a_100000185696_100000754603 [0,1,0,0,0,1|2,0,0]=4 3724 B19R2.12753 CNC(=O)c1ccccc1NCC2CCSCC2 27a_100015188806_100000155073 [0,1,0,0,0,1|2,0,0]=4 3725 B19R2.12753 CNC(=O)c1ccccc1OCC2CCCCC2 34a_100000185920_100000211423 [0,1,0,0,0,1|2,0,0]=4 3726 B19R2.12753 CNC(=O)c1ccccc1OCC2CCCCC2 7a_100000185920_100000211423 [0,1,0,0,0,1|2,0,0]=4 3727 B19R2.12753 CNC(=O)c1ccccc1SCC2CCCCC2 62a_100000155073_100000211423 [0,1,0,0,0,1|2,0,0]=4 3728 B19R2.12753 CNC(=O)c1ccccc1SCC2CCCCC2 62a_100000211423_100000155073 [0,1,0,0,0,1|2,0,0]=4 3729 B19R2.12753 CNC(=O)c1cccnc1NCC2CCCCC2 27a_100000210473_100000159833 [0,1,0,0,0,1|2,0,0]=4 3730 B19R2.12753 COC(=O)c1ccccc1C=CC2CCCCC2 271570a_100016283615_100000148710 [0,1,0,0,0,1|1,0,0]=3 3731 B19R2.12753 COC(=O)c1ccccc1CNC2CCCCC2 2230a_100000182618_100000744672 [0,1,0,0,0,1|0,0,0]=2 3732 B19R2.12753 COC(=O)c1ccccc1CNC2CCCCC2 34a_100000182618_100000744672 [0,1,0,0,0,1|0,0,0]=2 3733 B19R2.12753 COC(=O)c1ccccc1CNC2CCCOC2 2230a_100000719290_100000744672 [0,1,0,0,0,1|1,0,0]=3 3734 B19R2.12753 COC(=O)c1ccccc1CNC2CCCOC2 34a_100000719290_100000744672 [0,1,0,0,0,1|1,0,0]=3 3735 B19R2.12753 COC(=O)c1ccccc1CNC2CCOCC2 2230a_100000741149_100000744672 [0,1,0,0,0,1|1,0,0]=3 3736 B19R2.12753 COC(=O)c1ccccc1CNC2CCOCC2 34a_100000741149_100000744672 [0,1,0,0,0,1|1,0,0]=3 3737 B19R2.12753 COC(=O)c1ccccc1CNC2CCSCC2 2230a_100000748639_100000744672 [0,1,0,0,0,1|1,0,0]=3 3738 B19R2.12753 COC(=O)c1ccccc1CNC2CCSCC2 34a_100000748639_100000744672 [0,1,0,0,0,1|1,0,0]=3 3739 B19R2.12753 COC(=O)c1ccccc1COC2CCCCC2 34a_100000210231_100000744672 [0,1,0,0,0,1|1,0,0]=3 3740 B19R2.12753 COC(=O)c1ccccc1COC2CCCCC2 7a_100000210231_100000744672 [0,1,0,0,0,1|1,0,0]=3 3741 B19R2.12753 COC(=O)c1ccccc1COC2CCCCO2 34a_100000033831_100000744672 [0,1,0,0,0,1|2,0,0]=4 3742 B19R2.12753 COC(=O)c1ccccc1COC2CCCOC2 34a_100000754041_100000744672 [0,1,0,0,0,1|2,0,0]=4 3743 B19R2.12753 COC(=O)c1ccccc1COC2CCCSC2 7a_100015962668_100000744672 [0,1,0,0,0,1|2,0,0]=4 3744 B19R2.12753 COC(=O)c1ccccc1COC2CCOCC2 34a_100000744328_100000744672 [0,1,0,0,0,1|2,0,0]=4 3745 B19R2.12753 COC(=O)c1ccccc1COC2CCSCC2 34a_100000731022_100000744672 [0,1,0,0,0,1|2,0,0]=4 3746 B19R2.12753 COC(=O)c1ccccc1COC2CCSCC2 7a_100000731022_100000744672 [0,1,0,0,0,1|2,0,0]=4 3747 B19R2.12753 COC(=O)c1ccccc1CSC2CCCCC2 62a_100000210327_100000744672 [0,1,0,0,0,1|1,0,0]=3 3748 B19R2.12753 COC(=O)c1ccccc1CSC2CCCCC2 62a_100000744672_100000210327 [0,1,0,0,0,1|1,0,0]=3 3749 B19R2.12753 COC(=O)c1ccccc1CSC2CCCOC2 62a_100000744672_100000693364 [0,1,0,0,0,1|2,0,0]=4 3750 B19R2.12753 COC(=O)c1ccccc1CSC2CCOCC2 62a_100000744672_100011324220 [0,1,0,0,0,1|2,0,0]=4 3751 B19R2.12753 COC(=O)c1ccccc1CSC2CCSCC2 62a_100000744672_100000069128 [0,1,0,0,0,1|2,0,0]=4 3752 B19R2.12753 COC(=O)c1ccccc1OCC2CCCCC2 7a_100000150335_100000211423 [0,1,0,0,0,1|1,0,0]=3 3753 B19R2.12753 COC(=O)c1ccccc1OCC2CCCCO2 7a_100000150335_100000211543 [0,1,0,0,0,1|2,0,0]=4 3754 B19R2.12753 COC(=O)c1ccccc1OCC2CCCOC2 7a_100000150335_100000741521 [0,1,0,0,0,1|2,0,0]=4 3755 B19R2.12753 COC(=O)c1ccccc1OCC2CCOCC2 7a_100000150335_100000754603 [0,1,0,0,0,1|2,0,0]=4 3756 B19R2.12753 COC(=O)c1ccccc1SCC2CCCCC2 62a_100000148710_100000211423 [0,1,0,0,0,1|1,0,0]=3 3757 B19R2.12753 COC(=O)c1ccccc1SCC2CCCCC2 62a_100000211423_100000148710 [0,1,0,0,0,1|1,0,0]=3 3758 B19R2.12753 COC(=O)c1ccccc1SCC2CCCCO2 62a_100000148710_100000211543 [0,1,0,0,0,1|2,0,0]=4 3759 B19R2.12753 COC(=O)c1ccccc1SCC2CCCCO2 62a_100000211543_100000148710 [0,1,0,0,0,1|2,0,0]=4 3760 B19R2.12753 COC(=O)c1ccccc1SCC2CCCOC2 62a_100000148710_100000741521 [0,1,0,0,0,1|2,0,0]=4 3761 B19R2.12753 COC(=O)c1ccccc1SCC2CCCOC2 62a_100000741521_100000148710 [0,1,0,0,0,1|2,0,0]=4 3762 B19R2.12753 COC(=O)c1ccccc1SCC2CCOCC2 62a_100000148710_100000749018 [0,1,0,0,0,1|2,0,0]=4 3763 B19R2.12753 COC(=O)c1ccccc1SCC2CCOCC2 62a_100000754603_100000148710 [0,1,0,0,0,1|2,0,0]=4 3764 B19R2.12753 COC(=O)c1cccnc1C=CC2CCCCC2 271570a_100016283615_100000150852 [0,1,0,0,0,1|2,0,0]=4 3765 B19R2.12753 COC(=O)c1cccnc1CNC2CCCCC2 2230a_100000182618_100000709840 [0,1,0,0,0,1|1,0,0]=3 3766 B19R2.12753 COC(=O)c1cccnc1CNC2CCCCC2 34a_100000182618_100012347567 [0,1,0,0,0,1|1,0,0]=3 3767 B19R2.12753 COC(=O)c1cccnc1CNC2CCCOC2 2230a_100000719290_100000709840 [0,1,0,0,0,1|2,0,0]=4 3768 B19R2.12753 COC(=O)c1cccnc1CNC2CCCOC2 34a_100000719290_100012347567 [0,1,0,0,0,1|2,0,0]=4 3769 B19R2.12753 COC(=O)c1cccnc1CNC2CCOCC2 2230a_100000741149_100000709840 [0,1,0,0,0,1|2,0,0]=4 3770 B19R2.12753 COC(=O)c1cccnc1CNC2CCOCC2 34a_100000741149_100012347567 [0,1,0,0,0,1|2,0,0]=4 3771 B19R2.12753 COC(=O)c1cccnc1CNC2CCSCC2 2230a_100000748639_100000709840 [0,1,0,0,0,1|2,0,0]=4 3772 B19R2.12753 COC(=O)c1cccnc1CNC2CCSCC2 34a_100000748639_100012347567 [0,1,0,0,0,1|2,0,0]=4 3773 B19R2.12753 COC(=O)c1cccnc1COC2CCCCC2 34a_100000210231_100012347567 [0,1,0,0,0,1|2,0,0]=4 3774 B19R2.12753 COC(=O)c1cccnc1COC2CCCCC2 7a_100000210231_100000709840 [0,1,0,0,0,1|2,0,0]=4 3775 B19R2.12753 COC(=O)c1cccnc1CSC2CCCCC2 62a_100000210327_100000709840 [0,1,0,0,0,1|2,0,0]=4 3776 B19R2.12753 COC(=O)c1cccnc1CSC2CCCCC2 62a_100000709840_100000210327 [0,1,0,0,0,1|2,0,0]=4 3777 B19R2.12753 COC(=O)c1cccnc1NCC2CCCCC2 27a_100000210473_100000150852 [0,1,0,0,0,1|1,0,0]=3 3778 B19R2.12753 COC(=O)c1cccnc1NCC2CCCCO2 27a_100000174945_100000150852 [0,1,0,0,0,1|2,0,0]=4 3779 B19R2.12753 COC(=O)c1cccnc1NCC2CCCOC2 27a_100000720124_100000150852 [0,1,0,0,0,1|2,0,0]=4 3780 B19R2.12753 COC(=O)c1cccnc1NCC2CCOCC2 27a_100000746373_100000150852 [0,1,0,0,0,1|2,0,0]=4 3781 B19R2.12753 COC(=O)c1cccnc1NCC2CCSCC2 27a_100015188806_100000150852 [0,1,0,0,0,1|2,0,0]=4 3782 B19R2.12753 COC(=O)c1cccnc1SCC2CCCCC2 62a_100000211423_100000150852 [0,1,0,0,0,1|2,0,0]=4 3783 B19R2.12753 COC(=O)c1cccnc1SCC2CCCCC2 62a_100011587185_100000211423 [0,1,0,0,0,1|2,0,0]=4 3784 B19R2.12753 COC(=O)c1ccncc1C=CC2CCCCC2 271570a_100016283615_100010008606 [0,1,0,0,0,1|2,0,0]=4 3785 B19R2.12753 COC(=O)c1ccncc1SCC2CCCCC2 62a_100000211423_100010008606 [0,1,0,0,0,1|2,0,0]=4 3786 B19R2.12753 COC(=O)c1ccncc1SCC2CCCCC2 62a_100010008606_100000211423 [0,1,0,0,0,1|2,0,0]=4 3787 B19R2.12753 COC(=O)c1cnccc1C=CC2CCCCC2 271570a_100016283615_100020629055 [0,1,0,0,0,1|2,0,0]=4 3788 B19R2.12753 COC(=O)c1cnccc1SCC2CCCCC2 62a_100000211423_100020629055 [0,1,0,0,0,1|2,0,0]=4 3789 B19R2.12753 COC(=O)c1cnccc1SCC2CCCCC2 62a_100020629055_100000211423 [0,1,0,0,0,1|2,0,0]=4 3790 B19R2.12753 COC(=O)c1cncnc1NCC2CCCCC2 27a_100000210473_100000726419 [0,1,0,0,0,1|2,0,0]=4 3791 B19R2.12753 COC(=O)c1ncccc1C=CC2CCCCC2 271570a_100016283615_100011935214 [0,1,0,0,0,1|2,0,0]=4 3792 B19R2.12753 COC(=O)c1ncccc1CNC2CCCCC2 2230a_100000182618_100010177730 [0,1,0,0,0,1|1,0,0]=3 3793 B19R2.12753 COC(=O)c1ncccc1CNC2CCCCC2 34a_100000182618_100010177730 [0,1,0,0,0,1|1,0,0]=3 3794 B19R2.12753 COC(=O)c1ncccc1CNC2CCCOC2 2230a_100000719290_100010177730 [0,1,0,0,0,1|2,0,0]=4 3795 B19R2.12753 COC(=O)c1ncccc1CNC2CCCOC2 34a_100000719290_100010177730 [0,1,0,0,0,1|2,0,0]=4 3796 B19R2.12753 COC(=O)c1ncccc1CNC2CCOCC2 2230a_100000741149_100010177730 [0,1,0,0,0,1|2,0,0]=4 3797 B19R2.12753 COC(=O)c1ncccc1CNC2CCOCC2 34a_100000741149_100010177730 [0,1,0,0,0,1|2,0,0]=4 3798 B19R2.12753 COC(=O)c1ncccc1CNC2CCSCC2 2230a_100000748639_100010177730 [0,1,0,0,0,1|2,0,0]=4 3799 B19R2.12753 COC(=O)c1ncccc1CNC2CCSCC2 34a_100000748639_100010177730 [0,1,0,0,0,1|2,0,0]=4 3800 B19R2.12753 COC(=O)c1ncccc1COC2CCCCC2 34a_100000210231_100010177730 [0,1,0,0,0,1|2,0,0]=4 3801 B19R2.12753 COC(=O)c1ncccc1COC2CCCCC2 7a_100000210231_100010177730 [0,1,0,0,0,1|2,0,0]=4 3802 B19R2.12753 COC(=O)c1ncccc1CSC2CCCCC2 62a_100000210327_100010177730 [0,1,0,0,0,1|2,0,0]=4 3803 B19R2.12753 COC(=O)c1ncccc1CSC2CCCCC2 62a_100010177730_100000210327 [0,1,0,0,0,1|2,0,0]=4 3804 B19R2.12753 COC(=O)c1ncccc1OCC2CCCCC2 34a_100000744052_100000211423 [0,1,0,0,0,1|2,0,0]=4 3805 B19R2.12753 COC(=O)c1ncccc1OCC2CCCCC2 7a_100000744052_100000211423 [0,1,0,0,0,1|2,0,0]=4 3806 B19R2.12753 COC(=O)c1ncccc1SCC2CCCCC2 62a_100000211423_100011935214 [0,1,0,0,0,1|2,0,0]=4 3807 B19R2.12753 COC(=O)c1ncccc1SCC2CCCCC2 62a_100011935214_100000211423 [0,1,0,0,0,1|2,0,0]=4 3808 B19R2.12753 COC(=O)c1nccnc1NCC2CCCCC2 27a_100000210473_100000079898 [0,1,0,0,0,1|2,0,0]=4 3809 B19R2.12753 NNC(=O)c1ccccc1C=CC2CCCCC2 271570a_100016283615_100000190081 [0,1,0,0,0,1|2,0,0]=4 3810 B19R2.12753 NNC(=O)c1ccccc1OCC2CCCCC2 34a_100000186518_100000211423 [0,1,0,0,0,1|2,0,0]=4 3811 B19R2.12753 NNC(=O)c1ccccc1SCC2CCCCC2 62a_100000190081_100000211423 [0,1,0,0,0,1|2,0,0]=4 3812 B19R2.12753 NNC(=O)c1ccccc1SCC2CCCCC2 62a_100000211423_100000190081 [0,1,0,0,0,1|2,0,0]=4 3813 B19R2.12753 O=C(CBr)c1ccccc1OCC2CCCCC2 7a_100000188908_100000211423 [0,1,0,0,0,1|2,0,0]=4 3814 B19R2.12753 O=C(NO)c1ccccc1OCC2CCCCC2 34a_100000188472_100000211423 [0,1,0,0,0,1|1,0,0]=3 3815 B19R2.12753 O=C(NO)c1ccccc1OCC2CCCCO2 34a_100000188472_100000211543 [0,1,0,0,0,1|2,0,0]=4 3816 B19R2.12753 O=C(NO)c1ccccc1OCC2CCCOC2 34a_100000188472_100000741521 [0,1,0,0,0,1|2,0,0]=4 3817 B19R2.12753 O=C(NO)c1ccccc1OCC2CCOCC2 34a_100000188472_100000754603 [0,1,0,0,0,1|2,0,0]=4 3818 B19R2.12753 O=C(O[Na])c1ccccc1SCC2CCCCC2 62a_100000211423_114855342371 [0,1,0,0,0,1|1,0,0]=3 3819 B19R2.12753 O=C(O[Na])c1ccccc1SCC2CCCCO2 62a_100000211543_114855342371 [0,1,0,0,0,1|2,0,0]=4 3820 B19R2.12753 O=C(O[Na])c1ccccc1SCC2CCCOC2 62a_100000741521_114855342371 [0,1,0,0,0,1|2,0,0]=4 3821 B19R2.12753 O=C(O[Na])c1ccccc1SCC2CCOCC2 62a_100000754603_114855342371 [0,1,0,0,0,1|2,0,0]=4 3822 B19R2.20616 CC(C)(O)c1ccccc1NCC2CCCCC2 34a_100000081495_100000211423 [0,1,0,0,0,1|1,0,1]=4 3823 B19R2.20616 CC(C)(O)c1ccccc1NCC2CCCCC2 7a_100000081495_100000211423 [0,1,0,0,0,1|1,0,1]=4 3824 B19R2.20616 CP(=O)(C)c1ccccc1NCC2CCCCC2 2230a_100010749338_100000211423 [0,1,0,0,0,1|2,0,0]=4 3825 B19R2.20616 CP(=O)(C)c1ccccc1NCC2CCCCC2 34a_100010749338_100000211423 [0,1,0,0,0,1|2,0,0]=4 3826 B19R2.20616 CS(=O)(=O)c1ccccc1CNC2CCCCC2 207a_100000182618_100000101571 [0,1,0,0,0,1|1,0,1]=4 3827 B19R2.20616 CS(=O)(=O)c1ccccc1CNC2CCCCC2 2230a_100000182618_100009814939 [0,1,0,0,0,1|1,0,1]=4 3828 B19R2.20616 CS(=O)(=O)c1ccccc1CNC2CCCCC2 270004a_100000182618_100000101571 [0,1,0,0,0,1|1,0,1]=4 3829 B19R2.20616 CS(=O)(=O)c1ccccc1CNC2CCCCC2 270004a_100011787728_100000210434 [0,1,0,0,0,1|1,0,1]=4 3830 B19R2.20616 CS(=O)(=O)c1ccccc1CNC2CCCCC2 34a_100000182618_100009814939 [0,1,0,0,0,1|1,0,1]=4 3831 B19R2.20616 CS(=O)(=O)c1ccccc1CNC2CCCCC2 34a_100011787728_100000210327 [0,1,0,0,0,1|1,0,1]=4 3832 B19R2.20616 CS(=O)(=O)c1ccccc1NCC2CCCCC2 34a_100000241000_100000211423 [0,1,0,0,0,1|1,0,1]=4 3833 B19R2.20616 CS(=O)(=O)c1ccccc1NCC2CCCCC2 7a_100000241000_100000211423 [0,1,0,0,0,1|1,0,1]=4 3834 B19R2.20616 NS(=O)(=O)c1ccccc1CNC2CCCCC2 2230a_100000182618_200137420970 [0,1,0,0,0,1|1,0,1]=4 3835 B19R2.20616 NS(=O)(=O)c1ccccc1CNC2CCCCC2 34a_100000182618_200137420970 [0,1,0,0,0,1|1,0,1]=4 3836 B19R2.20616 NS(=O)(=O)c1ccccc1NCC2CCCCC2 34a_100011204920_100000211423 [0,1,0,0,0,1|1,0,1]=4 3837 B19R2.62089 CC(=O)c1cccc(c1C=CC2CCCCC2)F 271570a_100016283615_100012362612 [0,1,0,0,0,1|2,0,0]=4 3838 B19R2.62089 CC(=O)c1cccc(c1OCC2CCCCC2)C 34a_100009847209_100000211423 [0,1,0,0,0,1|2,0,0]=4 3839 B19R2.62089 CC(=O)c1cccc(c1OCC2CCCCC2)C 7a_100009847209_100000211423 [0,1,0,0,0,1|2,0,0]=4 3840 B19R2.62089 CC(=O)c1cccc(c1OCC2CCCCC2)Cl 34a_100000043392_100000211423 [0,1,0,0,0,1|2,0,0]=4 3841 B19R2.62089 CC(=O)c1cccc(c1OCC2CCCCC2)Cl 7a_100000043392_100000211423 [0,1,0,0,0,1|2,0,0]=4 3842 B19R2.62089 CC(=O)c1cccc(c1OCC2CCCCC2)F 34a_100011246037_100000211423 [0,1,0,0,0,1|2,0,0]=4 3843 B19R2.62089 CC(=O)c1cccc(c1OCC2CCCCC2)F 7a_100011246037_100000211423 [0,1,0,0,0,1|2,0,0]=4 3844 B19R2.62089 CC(=O)c1cccc(c1SCC2CCCCC2)F 62a_100000211423_100012362612 [0,1,0,0,0,1|2,0,0]=4 3845 B19R2.62089 CC(=O)c1cccc(c1SCC2CCCCC2)F 62a_100012362612_100000211423 [0,1,0,0,0,1|2,0,0]=4 3846 B19R2.62089 Cc1cccc(c1C=CC2CCCCC2)C(=O)N 271570a_100016283615_200011409216 [0,1,0,0,0,1|2,0,0]=4 3847 B19R2.62089 Cc1cccc(c1CNC2CCCCC2)[N+](=O)[O-] 2230a_100000182618_100010254497 [0,1,0,0,0,1|1,0,1]=4 3848 B19R2.62089 Cc1cccc(c1CNC2CCCCC2)[N+](=O)[O-] 34a_100000182618_100010254497 [0,1,0,0,0,1|1,0,1]=4 3849 B19R2.62089 Cc1cccc(c1NCC2CCCCC2)C(=O)N 34a_100000223273_100000211423 [0,1,0,0,0,1|1,0,0]=3 3850 B19R2.62089 Cc1cccc(c1NCC2CCCCO2)C(=O)N 34a_100000223273_100000211543 [0,1,0,0,0,1|2,0,0]=4 3851 B19R2.62089 Cc1cccc(c1NCC2CCCOC2)C(=O)N 34a_100000223273_100000741521 [0,1,0,0,0,1|2,0,0]=4 3852 B19R2.62089 Cc1cccc(c1NCC2CCOCC2)C(=O)N 34a_100000223273_100000754603 [0,1,0,0,0,1|2,0,0]=4 3853 B19R2.62089 Cc1cccc(c1SCC2CCCCC2)C(=O)N 62a_100000211423_200011409216 [0,1,0,0,0,1|2,0,0]=4 3854 B19R2.62089 Cc1cccc(c1SCC2CCCCC2)C(=O)N 62a_200011409216_100000211423 [0,1,0,0,0,1|2,0,0]=4 3855 B19R2.62089 NC(=O)c1cccc(c1C=CC2CCCCC2)F 271570a_100016283615_200012351544 [0,1,0,0,0,1|2,0,0]=4 3856 B19R2.62089 NC(=O)c1cccc(c1NCC2CCCCC2)Cl 34a_200011997947_100000211423 [0,1,0,0,0,1|1,0,0]=3 3857 B19R2.62089 NC(=O)c1cccc(c1NCC2CCCCC2)F 34a_100011722151_100000211423 [0,1,0,0,0,1|1,0,0]=3 3858 B19R2.62089 NC(=O)c1cccc(c1NCC2CCCCO2)Cl 34a_200011997947_100000211543 [0,1,0,0,0,1|2,0,0]=4 3859 B19R2.62089 NC(=O)c1cccc(c1NCC2CCCCO2)F 34a_100011722151_100000211543 [0,1,0,0,0,1|2,0,0]=4 3860 B19R2.62089 NC(=O)c1cccc(c1NCC2CCCOC2)Cl 34a_200011997947_100000741521 [0,1,0,0,0,1|2,0,0]=4 3861 B19R2.62089 NC(=O)c1cccc(c1NCC2CCCOC2)F 34a_100011722151_100000741521 [0,1,0,0,0,1|2,0,0]=4 3862 B19R2.62089 NC(=O)c1cccc(c1NCC2CCOCC2)Cl 34a_200011997947_100000754603 [0,1,0,0,0,1|2,0,0]=4 3863 B19R2.62089 NC(=O)c1cccc(c1NCC2CCOCC2)F 34a_100011722151_100000754603 [0,1,0,0,0,1|2,0,0]=4 3864 B19R2.62089 NC(=O)c1cccc(c1OCC2CCCCC2)Cl 34a_100009868166_100000211423 [0,1,0,0,0,1|2,0,0]=4 3865 B19R2.62089 NC(=O)c1cccc(c1OCC2CCCCC2)Cl 7a_100009868166_100000211423 [0,1,0,0,0,1|2,0,0]=4 3866 B19R2.62089 NC(=O)c1cccc(c1OCC2CCCCC2)F 34a_100009886295_100000211423 [0,1,0,0,0,1|2,0,0]=4 3867 B19R2.62089 NC(=O)c1cccc(c1OCC2CCCCC2)F 7a_100009886295_100000211423 [0,1,0,0,0,1|2,0,0]=4 3868 B19R2.62089 NC(=O)c1cccc(c1SCC2CCCCC2)F 62a_100000211423_200012351544 [0,1,0,0,0,1|2,0,0]=4 3869 B19R2.62089 NC(=O)c1cccc(c1SCC2CCCCC2)F 62a_200012351544_100000211423 [0,1,0,0,0,1|2,0,0]=4 3870 B19R2.62089 O=[N+]([O-])c1cccc(c1CNC2CCCCC2)Br 2230a_100000182618_100011273477 [0,1,0,0,0,1|1,0,1]=4 3871 B19R2.62089 O=[N+]([O-])c1cccc(c1CNC2CCCCC2)Br 270004a_100000182618_100000735576 [0,1,0,0,0,1|1,0,1]=4 3872 B19R2.62089 O=[N+]([O-])c1cccc(c1CNC2CCCCC2)Br 34a_100000182618_100011273477 [0,1,0,0,0,1|1,0,1]=4 3873 B19R2.62089 O=[N+]([O-])c1cccc(c1CNC2CCCCC2)Cl 2230a_100000182618_100000753779 [0,1,0,0,0,1|1,0,1]=4 3874 B19R2.62089 O=[N+]([O-])c1cccc(c1CNC2CCCCC2)Cl 270004a_100000182618_100011217401 [0,1,0,0,0,1|1,0,1]=4 3875 B19R2.62089 O=[N+]([O-])c1cccc(c1CNC2CCCCC2)Cl 270004a_100011916376_100000210434 [0,1,0,0,0,1|1,0,1]=4 3876 B19R2.62089 O=[N+]([O-])c1cccc(c1CNC2CCCCC2)Cl 34a_100000182618_100000753779 [0,1,0,0,0,1|1,0,1]=4 3877 B19R2.62089 O=[N+]([O-])c1cccc(c1CNC2CCCCC2)F 2230a_100000182618_100000751461 [0,1,0,0,0,1|1,0,1]=4 3878 B19R2.62089 O=[N+]([O-])c1cccc(c1CNC2CCCCC2)F 34a_100000182618_100000751461 [0,1,0,0,0,1|1,0,1]=4 3879 B19R2.62089 O=[N+]([O-])c1cccc(c1NCC2CCCCC2)F 34a_100000687224_100000211423 [0,1,0,0,0,1|1,0,1]=4 3880 B19R2.62092 CC(=O)c1c(cccc1C=CC2CCCCC2)F 271570a_100016283615_100012351873 [0,1,0,0,0,1|2,0,0]=4 3881 B19R2.62092 CC(=O)c1c(cccc1C=CC2CCCCC2)O 271570a_100016283615_100010174959 [0,1,0,0,0,1|2,0,0]=4 3882 B19R2.62092 CC(=O)c1c(cccc1OCC2CCCCC2)Br 34a_100010174959_100000211423 [0,1,0,0,0,1|2,0,0]=4 3883 B19R2.62092 CC(=O)c1c(cccc1OCC2CCCCC2)Br 7a_100010174959_100000211423 [0,1,0,0,0,1|2,0,0]=4 3884 B19R2.62092 CC(=O)c1c(cccc1OCC2CCCCC2)C 34a_100009860897_100000211423 [0,1,0,0,0,1|2,0,0]=4 3885 B19R2.62092 CC(=O)c1c(cccc1OCC2CCCCC2)C 7a_100009860897_100000211423 [0,1,0,0,0,1|2,0,0]=4 3886 B19R2.62092 CC(=O)c1c(cccc1OCC2CCCCC2)Cl 34a_100000730630_100000211423 [0,1,0,0,0,1|2,0,0]=4 3887 B19R2.62092 CC(=O)c1c(cccc1OCC2CCCCC2)Cl 7a_100000730630_100000211423 [0,1,0,0,0,1|2,0,0]=4 3888 B19R2.62092 CC(=O)c1c(cccc1OCC2CCCCC2)F 34a_100011216272_100000211423 [0,1,0,0,0,1|2,0,0]=4 3889 B19R2.62092 CC(=O)c1c(cccc1OCC2CCCCC2)F 7a_100011216272_100000211423 [0,1,0,0,0,1|2,0,0]=4 3890 B19R2.62092 CC(=O)c1c(cccc1SCC2CCCCC2)F 62a_100012351873_100000211423 [0,1,0,0,0,1|2,0,0]=4 3891 B19R2.62092 Cc1cccc(c1C(=O)N)NCC2CCCCC2 34a_100102558177_100000211423 [0,1,0,0,0,1|1,0,0]=3 3892 B19R2.62092 Cc1cccc(c1C(=O)N)NCC2CCCCC2 7a_100102558177_100000211423 [0,1,0,0,0,1|1,0,0]=3 3893 B19R2.62092 Cc1cccc(c1C(=O)N)NCC2CCCCO2 34a_100102558177_100000211543 [0,1,0,0,0,1|2,0,0]=4 3894 B19R2.62092 Cc1cccc(c1C(=O)N)NCC2CCCCO2 7a_100102558177_100000211543 [0,1,0,0,0,1|2,0,0]=4 3895 B19R2.62092 Cc1cccc(c1C(=O)N)NCC2CCCOC2 34a_100102558177_100000741521 [0,1,0,0,0,1|2,0,0]=4 3896 B19R2.62092 Cc1cccc(c1C(=O)N)NCC2CCCOC2 7a_100102558177_100000741521 [0,1,0,0,0,1|2,0,0]=4 3897 B19R2.62092 Cc1cccc(c1C(=O)N)NCC2CCOCC2 34a_100102558177_100000754603 [0,1,0,0,0,1|2,0,0]=4 3898 B19R2.62092 Cc1cccc(c1C(=O)N)NCC2CCOCC2 7a_100102558177_100000754603 [0,1,0,0,0,1|2,0,0]=4 3899 B19R2.62092 Cc1cccc(c1[N+](=O)[O-])CNC2CCCCC2 207a_100000182618_100000050834 [0,1,0,0,0,1|1,0,1]=4 3900 B19R2.62092 Cc1cccc(c1[N+](=O)[O-])CNC2CCCCC2 2230a_100000182618_100010188692 [0,1,0,0,0,1|1,0,1]=4 3901 B19R2.62092 Cc1cccc(c1[N+](=O)[O-])CNC2CCCCC2 270004a_100000182618_100000050834 [0,1,0,0,0,1|1,0,1]=4 3902 B19R2.62092 Cc1cccc(c1[N+](=O)[O-])CNC2CCCCC2 34a_100000182618_100010188692 [0,1,0,0,0,1|1,0,1]=4 3903 B19R2.62092 Cc1cccc(c1[N+](=O)[O-])NCC2CCCCC2 34a_100011424894_100000211423 [0,1,0,0,0,1|1,0,1]=4 3904 B19R2.62092 NC(=O)c1c(cccc1C=CC2CCCCC2)Cl 271570a_100016283615_100010147686 [0,1,0,0,0,1|2,0,0]=4 3905 B19R2.62092 NC(=O)c1c(cccc1C=CC2CCCCC2)F 271570a_100016283615_100011219063 [0,1,0,0,0,1|2,0,0]=4 3906 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCC2)Cl 34a_100000764435_100000211423 [0,1,0,0,0,1|1,0,0]=3 3907 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCC2)Cl 7a_100000764435_100000211423 [0,1,0,0,0,1|1,0,0]=3 3908 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCC2)F 27a_100000210473_100011219063 [0,1,0,0,0,1|1,0,0]=3 3909 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCC2)F 34a_100000036109_100000211423 [0,1,0,0,0,1|1,0,0]=3 3910 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCC2)F 7a_100000036109_100000211423 [0,1,0,0,0,1|1,0,0]=3 3911 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCO2)Cl 34a_100000764435_100000211543 [0,1,0,0,0,1|2,0,0]=4 3912 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCO2)Cl 7a_100000764435_100000211543 [0,1,0,0,0,1|2,0,0]=4 3913 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCO2)F 27a_100000174945_100011219063 [0,1,0,0,0,1|2,0,0]=4 3914 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCO2)F 34a_100000036109_100000211543 [0,1,0,0,0,1|2,0,0]=4 3915 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCCO2)F 7a_100000036109_100000211543 [0,1,0,0,0,1|2,0,0]=4 3916 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCOC2)Cl 34a_100000764435_100000741521 [0,1,0,0,0,1|2,0,0]=4 3917 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCOC2)Cl 7a_100000764435_100000741521 [0,1,0,0,0,1|2,0,0]=4 3918 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCOC2)F 27a_100000720124_100011219063 [0,1,0,0,0,1|2,0,0]=4 3919 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCOC2)F 34a_100000036109_100000741521 [0,1,0,0,0,1|2,0,0]=4 3920 B19R2.62092 NC(=O)c1c(cccc1NCC2CCCOC2)F 7a_100000036109_100000741521 [0,1,0,0,0,1|2,0,0]=4 3921 B19R2.62092 NC(=O)c1c(cccc1NCC2CCOCC2)Cl 34a_100000764435_100000754603 [0,1,0,0,0,1|2,0,0]=4 3922 B19R2.62092 NC(=O)c1c(cccc1NCC2CCOCC2)Cl 7a_100000764435_100000754603 [0,1,0,0,0,1|2,0,0]=4 3923 B19R2.62092 NC(=O)c1c(cccc1NCC2CCOCC2)F 27a_100000746373_100011219063 [0,1,0,0,0,1|2,0,0]=4 3924 B19R2.62092 NC(=O)c1c(cccc1NCC2CCOCC2)F 34a_100000036109_100000754603 [0,1,0,0,0,1|2,0,0]=4 3925 B19R2.62092 NC(=O)c1c(cccc1NCC2CCOCC2)F 7a_100000036109_100000754603 [0,1,0,0,0,1|2,0,0]=4 3926 B19R2.62092 NC(=O)c1c(cccc1NCC2CCSCC2)F 27a_100015188806_100011219063 [0,1,0,0,0,1|2,0,0]=4 3927 B19R2.62092 NC(=O)c1c(cccc1OCC2CCCCC2)F 34a_100000701607_100000211423 [0,1,0,0,0,1|2,0,0]=4 3928 B19R2.62092 NC(=O)c1c(cccc1OCC2CCCCC2)F 7a_100000701607_100000211423 [0,1,0,0,0,1|2,0,0]=4 3929 B19R2.62092 NC(=O)c1c(cccc1SCC2CCCCC2)Cl 62a_100010147686_100000211423 [0,1,0,0,0,1|2,0,0]=4 3930 B19R2.62092 NC(=O)c1c(cccc1SCC2CCCCC2)F 62a_100011219063_100000211423 [0,1,0,0,0,1|2,0,0]=4 3931 B19R2.62092 O=[N+]([O-])c1c(cccc1CNC2CCCCC2)Br 2230a_100000182618_100010145487 [0,1,0,0,0,1|1,0,1]=4 3932 B19R2.62092 O=[N+]([O-])c1c(cccc1CNC2CCCCC2)Br 270004a_100000182618_100009996538 [0,1,0,0,0,1|1,0,1]=4 3933 B19R2.62092 O=[N+]([O-])c1c(cccc1CNC2CCCCC2)Br 34a_100000182618_100010145487 [0,1,0,0,0,1|1,0,1]=4 3934 B19R2.62092 O=[N+]([O-])c1c(cccc1CNC2CCCCC2)Cl 2230a_100000182618_100009990124 [0,1,0,0,0,1|1,0,1]=4 3935 B19R2.62092 O=[N+]([O-])c1c(cccc1CNC2CCCCC2)Cl 270004a_100000182618_100000050954 [0,1,0,0,0,1|1,0,1]=4 3936 B19R2.62092 O=[N+]([O-])c1c(cccc1CNC2CCCCC2)Cl 34a_100000182618_100009990124 [0,1,0,0,0,1|1,0,1]=4 3937 B19R2.62092 O=[N+]([O-])c1c(cccc1CNC2CCCCC2)F 270004a_100000182618_100000102507 [0,1,0,0,0,1|1,0,1]=4 3938 B19R2.62092 O=[N+]([O-])c1c(cccc1NCC2CCCCC2)F 34a_100011219493_100000211423 [0,1,0,0,0,1|1,0,1]=4 3939 B19R2.101532 CC(=O)c1cccnc1NCC2CCCC(C2)O 27a_100011254705_100009816689 [0,1,0,0,0,1|2,0,0]=4 3940 B19R2.101532 CC(=O)c1cnccc1NCC2CCCC(C2)O 27a_100011254705_100160469449 [0,1,0,0,0,1|2,0,0]=4 3941 B19R2.101532 CC1CCCC(C1)NCc2ccccc2B(O)O 2230a_100011194320_100009814197 [0,1,0,0,0,1|1,0,1]=4 3942 B19R2.101532 CC1CCCC(C1)NCc2ccccc2B(O)O 34a_100011194320_100009814197 [0,1,0,0,0,1|1,0,1]=4 3943 B19R2.101532 CC1CCCC(C1)NCc2ccccc2[N+](=O)[O-] 2230a_100011194320_100000181388 [0,1,0,0,0,1|1,0,1]=4 3944 B19R2.101532 CC1CCCC(C1)NCc2ccccc2[N+](=O)[O-] 270004a_100000740939_100000183594 [0,1,0,0,0,1|1,0,1]=4 3945 B19R2.101532 CC1CCCC(C1)NCc2ccccc2[N+](=O)[O-] 270004a_100011194320_100000186027 [0,1,0,0,0,1|1,0,1]=4 3946 B19R2.101532 CC1CCCC(C1)NCc2ccccc2[N+](=O)[O-] 34a_100011194320_100000181388 [0,1,0,0,0,1|1,0,1]=4 3947 B19R2.101532 CN1CCCC(C1)CNc2ccccc2C(=O)N 34a_100000185089_100015183302 [0,1,0,0,0,1|2,0,0]=4 3948 B19R2.101532 CN1CCCC(C1)CSc2ccccc2C(=O)O 62a_100000752043_100000734275 [0,1,0,0,0,1|2,0,0]=4 3949 B19R2.101532 CN1CCCC(C1)CSc2ccccc2C(=O)O 62a_202125556159_100000752043 [0,1,0,0,0,1|2,0,0]=4 3950 B19R2.101532 NC(=O)c1cccnc1NCC2CCCC(C2)O 27a_100011254705_100000162199 [0,1,0,0,0,1|2,0,0]=4 3951 B19R2.101532 NC(=O)c1cnccc1NCC2CCCC(C2)O 27a_100011254705_100000697804 [0,1,0,0,0,1|2,0,0]=4 3952 B19R2.101532 NC(=O)c1ncccc1NCC2CCCC(C2)O 27a_100011254705_200012359670 [0,1,0,0,0,1|2,0,0]=4 3953 B19R2.101532 O=[N+]([O-])c1ccccc1CNC2CCCC(C2)O 2230a_100015190357_100000181388 [0,1,0,0,0,1|1,0,1]=4 3954 B19R2.101532 O=[N+]([O-])c1ccccc1CNC2CCCC(C2)O 270004a_100000740939_100012613340 [0,1,0,0,0,1|1,0,1]=4 3955 B19R2.101532 O=[N+]([O-])c1ccccc1CNC2CCCC(C2)O 270004a_100015190357_100000186027 [0,1,0,0,0,1|1,0,1]=4 3956 B19R2.101532 OB(O)c1ccccc1CNC2CCCC(C2)O 2230a_100015190357_100009814197 [0,1,0,0,0,1|1,0,1]=4 3957 B19R2.103373 CC(=O)c1ccc(cc1C=CC2CCCCC2)C 271570a_100016283615_100012353930 [0,1,0,0,0,1|2,0,0]=4 3958 B19R2.103373 CC(=O)c1ccc(cc1C=CC2CCCCC2)F 271570a_100016283615_100000686192 [0,1,0,0,0,1|2,0,0]=4 3959 B19R2.103373 CC(=O)c1ccc(cc1C=CC2CCCCC2)O 271570a_100016283615_100012340537 [0,1,0,0,0,1|2,0,0]=4 3960 B19R2.103373 CC(=O)c1ccc(cc1NCC2CCCCC2)F 27a_100000210473_100000686192 [0,1,0,0,0,1|1,0,0]=3 3961 B19R2.103373 CC(=O)c1ccc(cc1NCC2CCCCO2)F 27a_100000174945_100000686192 [0,1,0,0,0,1|2,0,0]=4 3962 B19R2.103373 CC(=O)c1ccc(cc1NCC2CCCOC2)F 27a_100000720124_100000686192 [0,1,0,0,0,1|2,0,0]=4 3963 B19R2.103373 CC(=O)c1ccc(cc1NCC2CCOCC2)F 27a_100000746373_100000686192 [0,1,0,0,0,1|2,0,0]=4 3964 B19R2.103373 CC(=O)c1ccc(cc1NCC2CCSCC2)F 27a_100015188806_100000686192 [0,1,0,0,0,1|2,0,0]=4 3965 B19R2.103373 CC(=O)c1ccc(cc1OCC2CCCCC2)Br 7a_100000188348_100000211423 [0,1,0,0,0,1|2,0,0]=4 3966 B19R2.103373 CC(=O)c1ccc(cc1OCC2CCCCC2)C 34a_100000234885_100000211423 [0,1,0,0,0,1|2,0,0]=4 3967 B19R2.103373 CC(=O)c1ccc(cc1OCC2CCCCC2)C 7a_100000234885_100000211423 [0,1,0,0,0,1|2,0,0]=4 3968 B19R2.103373 CC(=O)c1ccc(cc1OCC2CCCCC2)Cl 34a_100000061402_100000211423 [0,1,0,0,0,1|2,0,0]=4 3969 B19R2.103373 CC(=O)c1ccc(cc1OCC2CCCCC2)Cl 7a_100000061402_100000211423 [0,1,0,0,0,1|2,0,0]=4 3970 B19R2.103373 CC(=O)c1ccc(cc1OCC2CCCCC2)F 7a_100011215782_100000211423 [0,1,0,0,0,1|2,0,0]=4 3971 B19R2.103373 CC(=O)c1ccc(cc1SCC2CCCCC2)C 62a_100000211423_100012353930 [0,1,0,0,0,1|2,0,0]=4 3972 B19R2.103373 CC(=O)c1ccc(cc1SCC2CCCCC2)C 62a_100012353930_100000211423 [0,1,0,0,0,1|2,0,0]=4 3973 B19R2.103373 CC(=O)c1ccc(cc1SCC2CCCCC2)F 62a_100000686192_100000211423 [0,1,0,0,0,1|2,0,0]=4 3974 B19R2.103373 CC(=O)c1ccc(cc1SCC2CCCCC2)O 62a_100012340537_100000211423 [0,1,0,0,0,1|2,0,0]=4 3975 B19R2.103373 Cc1ccc(c(c1)CNC2CCCCC2)[N+](=O)[O-] 207a_100000182618_100000050452 [0,1,0,0,0,1|1,0,1]=4 3976 B19R2.103373 Cc1ccc(c(c1)CNC2CCCCC2)[N+](=O)[O-] 2230a_100000182618_200000039114 [0,1,0,0,0,1|1,0,1]=4 3977 B19R2.103373 Cc1ccc(c(c1)CNC2CCCCC2)[N+](=O)[O-] 270004a_100000182618_100000050452 [0,1,0,0,0,1|1,0,1]=4 3978 B19R2.103373 Cc1ccc(c(c1)CNC2CCCCC2)[N+](=O)[O-] 34a_100000182618_200000039114 [0,1,0,0,0,1|1,0,1]=4 3979 B19R2.103373 Cc1ccc(c(c1)NCC2CCCCC2)C(=O)N 34a_100011219537_100000211423 [0,1,0,0,0,1|1,0,0]=3 3980 B19R2.103373 Cc1ccc(c(c1)NCC2CCCCC2)C(=O)N 7a_100011219537_100000211423 [0,1,0,0,0,1|1,0,0]=3 3981 B19R2.103373 Cc1ccc(c(c1)NCC2CCCCO2)C(=O)N 34a_100011219537_100000211543 [0,1,0,0,0,1|2,0,0]=4 3982 B19R2.103373 Cc1ccc(c(c1)NCC2CCCCO2)C(=O)N 7a_100011219537_100000211543 [0,1,0,0,0,1|2,0,0]=4 3983 B19R2.103373 Cc1ccc(c(c1)NCC2CCCOC2)C(=O)N 34a_100011219537_100000741521 [0,1,0,0,0,1|2,0,0]=4 3984 B19R2.103373 Cc1ccc(c(c1)NCC2CCCOC2)C(=O)N 7a_100011219537_100000741521 [0,1,0,0,0,1|2,0,0]=4 3985 B19R2.103373 Cc1ccc(c(c1)NCC2CCOCC2)C(=O)N 34a_100011219537_100000754603 [0,1,0,0,0,1|2,0,0]=4 3986 B19R2.103373 Cc1ccc(c(c1)NCC2CCOCC2)C(=O)N 7a_100011219537_100000754603 [0,1,0,0,0,1|2,0,0]=4 3987 B19R2.103373 Cc1ccc(c(c1)OCC2CCCCC2)C(=O)N 34a_100000192831_100000211423 [0,1,0,0,0,1|2,0,0]=4 3988 B19R2.103373 Cc1ccc(c(c1)OCC2CCCCC2)C(=O)N 7a_100000192831_100000211423 [0,1,0,0,0,1|2,0,0]=4 3989 B19R2.103373 Cc1ccc(c(n1)NCC2CCCCC2)C(=O)N 27a_100000210473_100000041523 [0,1,0,0,0,1|2,0,0]=4 3990 B19R2.103373 NC(=O)c1ccc(cc1C=CC2CCCCC2)Br 271570a_100016283615_100009815748 [0,1,0,0,0,1|2,0,0]=4 3991 B19R2.103373 NC(=O)c1ccc(cc1C=CC2CCCCC2)F 271570a_100016283615_100000206404 [0,1,0,0,0,1|2,0,0]=4 3992 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCC2)Br 27a_100000210473_100009815748 [0,1,0,0,0,1|1,0,0]=3 3993 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCC2)Br 7a_100012349972_100000211423 [0,1,0,0,0,1|1,0,0]=3 3994 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCC2)Cl 34a_100000738103_100000211423 [0,1,0,0,0,1|1,0,0]=3 3995 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCC2)Cl 7a_100000738103_100000211423 [0,1,0,0,0,1|1,0,0]=3 3996 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCC2)F 27a_100000210473_100000206404 [0,1,0,0,0,1|1,0,0]=3 3997 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCC2)F 34a_100011298637_100000211423 [0,1,0,0,0,1|1,0,0]=3 3998 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCO2)Br 27a_100000174945_100009815748 [0,1,0,0,0,1|2,0,0]=4 3999 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCO2)Br 7a_100012349972_100000211543 [0,1,0,0,0,1|2,0,0]=4 4000 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCO2)Cl 34a_100000738103_100000211543 [0,1,0,0,0,1|2,0,0]=4 4001 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCO2)Cl 7a_100000738103_100000211543 [0,1,0,0,0,1|2,0,0]=4 4002 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCO2)F 27a_100000174945_100000206404 [0,1,0,0,0,1|2,0,0]=4 4003 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCCO2)F 34a_100011298637_100000211543 [0,1,0,0,0,1|2,0,0]=4 4004 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCOC2)Br 27a_100000720124_100009815748 [0,1,0,0,0,1|2,0,0]=4 4005 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCOC2)Br 7a_100012349972_100000741521 [0,1,0,0,0,1|2,0,0]=4 4006 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCOC2)Cl 34a_100000738103_100000741521 [0,1,0,0,0,1|2,0,0]=4 4007 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCOC2)Cl 7a_100000738103_100000741521 [0,1,0,0,0,1|2,0,0]=4 4008 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCOC2)F 27a_100000720124_100000206404 [0,1,0,0,0,1|2,0,0]=4 4009 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCCOC2)F 34a_100011298637_100000741521 [0,1,0,0,0,1|2,0,0]=4 4010 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCOCC2)Br 27a_100000746373_100009815748 [0,1,0,0,0,1|2,0,0]=4 4011 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCOCC2)Br 7a_100012349972_100000754603 [0,1,0,0,0,1|2,0,0]=4 4012 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCOCC2)Cl 34a_100000738103_100000754603 [0,1,0,0,0,1|2,0,0]=4 4013 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCOCC2)Cl 7a_100000738103_100000754603 [0,1,0,0,0,1|2,0,0]=4 4014 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCOCC2)F 27a_100000746373_100000206404 [0,1,0,0,0,1|2,0,0]=4 4015 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCOCC2)F 34a_100011298637_100000754603 [0,1,0,0,0,1|2,0,0]=4 4016 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCSCC2)Br 27a_100015188806_100009815748 [0,1,0,0,0,1|2,0,0]=4 4017 B19R2.103373 NC(=O)c1ccc(cc1NCC2CCSCC2)F 27a_100015188806_100000206404 [0,1,0,0,0,1|2,0,0]=4 4018 B19R2.103373 NC(=O)c1ccc(cc1OCC2CCCCC2)Br 34a_100011550861_100000211423 [0,1,0,0,0,1|2,0,0]=4 4019 B19R2.103373 NC(=O)c1ccc(cc1OCC2CCCCC2)Br 7a_100011550861_100000211423 [0,1,0,0,0,1|2,0,0]=4 4020 B19R2.103373 NC(=O)c1ccc(cc1OCC2CCCCC2)Cl 34a_100000192836_100000211423 [0,1,0,0,0,1|2,0,0]=4 4021 B19R2.103373 NC(=O)c1ccc(cc1OCC2CCCCC2)Cl 7a_100000192836_100000211423 [0,1,0,0,0,1|2,0,0]=4 4022 B19R2.103373 NC(=O)c1ccc(cc1OCC2CCCCC2)N 34a_100000223280_100000211423 [0,1,0,0,0,1|2,0,0]=4 4023 B19R2.103373 NC(=O)c1ccc(cc1OCC2CCCCC2)N 7a_100000223280_100000211423 [0,1,0,0,0,1|2,0,0]=4 4024 B19R2.103373 NC(=O)c1ccc(cc1SCC2CCCCC2)Br 62a_100009815748_100000211423 [0,1,0,0,0,1|2,0,0]=4 4025 B19R2.103373 NC(=O)c1ccc(cc1SCC2CCCCC2)F 62a_100000206404_100000211423 [0,1,0,0,0,1|2,0,0]=4 4026 B19R2.103373 NC(=O)c1ccc(cc1SCC2CCCCC2)F 62a_100000211423_100000206404 [0,1,0,0,0,1|2,0,0]=4 4027 B19R2.103373 O=[N+]([O-])c1ccc(cc1CNC2CCCCC2)Br 2230a_100000182618_100010245524 [0,1,0,0,0,1|1,0,1]=4 4028 B19R2.103373 O=[N+]([O-])c1ccc(cc1CNC2CCCCC2)Br 270004a_100000182618_100000692607 [0,1,0,0,0,1|1,0,1]=4 4029 B19R2.103373 O=[N+]([O-])c1ccc(cc1CNC2CCCCC2)Br 34a_100000182618_100010245524 [0,1,0,0,0,1|1,0,1]=4 4030 B19R2.103373 O=[N+]([O-])c1ccc(cc1CNC2CCCCC2)Cl 2230a_100000182618_100000765840 [0,1,0,0,0,1|1,0,1]=4 4031 B19R2.103373 O=[N+]([O-])c1ccc(cc1CNC2CCCCC2)Cl 270004a_100000182618_100000758460 [0,1,0,0,0,1|1,0,1]=4 4032 B19R2.103373 O=[N+]([O-])c1ccc(cc1CNC2CCCCC2)Cl 34a_100000182618_100000765840 [0,1,0,0,0,1|1,0,1]=4 4033 B19R2.103373 O=[N+]([O-])c1ccc(cc1CNC2CCCCC2)F 2230a_100000182618_100000740372 [0,1,0,0,0,1|1,0,1]=4 4034 B19R2.103373 O=[N+]([O-])c1ccc(cc1CNC2CCCCC2)F 270004a_100000750939_100000210434 [0,1,0,0,0,1|1,0,1]=4 4035 B19R2.103373 O=[N+]([O-])c1ccc(cc1NCC2CCCCC2)F 34a_100000746377_100000211423 [0,1,0,0,0,1|1,0,1]=4 4036 B19R2.103373 OB(O)c1ccc(cc1CNC2CCCCC2)F 2230a_100000182618_200009816803 [0,1,0,0,0,1|1,0,1]=4 4037 B19R2.103373 OB(O)c1ccc(cc1CNC2CCCCC2)F 34a_100000182618_200009816803 [0,1,0,0,0,1|1,0,1]=4 4038 B19R2.103477 C=C(C)c1cc(ccc1NCC2CCCCC2)F 34a_100009961556_100000211423 [0,1,0,0,0,1|2,0,0]=4 4039 B19R2.103477 CC(=O)c1cc(ccc1C=CC2CCCCC2)C 271570a_100016283615_100012361225 [0,1,0,0,0,1|2,0,0]=4 4040 B19R2.103477 CC(=O)c1cc(ccc1C=CC2CCCCC2)F 271570a_100016283615_100012353695 [0,1,0,0,0,1|2,0,0]=4 4041 B19R2.103477 CC(=O)c1cc(ccc1C=CC2CCCCC2)N 271570a_100016283615_100012349454 [0,1,0,0,0,1|2,0,0]=4 4042 B19R2.103477 CC(=O)c1cc(ccc1OCC2CCCCC2)Br 34a_100000212127_100000211423 [0,1,0,0,0,1|2,0,0]=4 4043 B19R2.103477 CC(=O)c1cc(ccc1OCC2CCCCC2)Br 7a_100000212127_100000211423 [0,1,0,0,0,1|2,0,0]=4 4044 B19R2.103477 CC(=O)c1cc(ccc1OCC2CCCCC2)C 34a_100000195442_100000211423 [0,1,0,0,0,1|2,0,0]=4 4045 B19R2.103477 CC(=O)c1cc(ccc1OCC2CCCCC2)C 7a_100000195442_100000211423 [0,1,0,0,0,1|2,0,0]=4 4046 B19R2.103477 CC(=O)c1cc(ccc1OCC2CCCCC2)Cl 34a_100000185566_100000211423 [0,1,0,0,0,1|2,0,0]=4 4047 B19R2.103477 CC(=O)c1cc(ccc1OCC2CCCCC2)Cl 7a_100000185566_100000211423 [0,1,0,0,0,1|2,0,0]=4 4048 B19R2.103477 CC(=O)c1cc(ccc1OCC2CCCCC2)F 7a_100000182812_100000211423 [0,1,0,0,0,1|2,0,0]=4 4049 B19R2.103477 CC(=O)c1cc(ccc1OCC2CCCCC2)I 7a_100010712555_100000211423 [0,1,0,0,0,1|2,0,0]=4 4050 B19R2.103477 CC(=O)c1cc(ccc1OCC2CCCCC2)N 34a_100011218865_100000211423 [0,1,0,0,0,1|2,0,0]=4 4051 B19R2.103477 CC(=O)c1cc(ccc1SCC2CCCCC2)C 62a_100000211423_100012361225 [0,1,0,0,0,1|2,0,0]=4 4052 B19R2.103477 CC(=O)c1cc(ccc1SCC2CCCCC2)C 62a_100012361225_100000211423 [0,1,0,0,0,1|2,0,0]=4 4053 B19R2.103477 CC(=O)c1cc(ccc1SCC2CCCCC2)F 62a_100000211423_100010200798 [0,1,0,0,0,1|2,0,0]=4 4054 B19R2.103477 CC(=O)c1cc(ccc1SCC2CCCCC2)F 62a_100012353695_100000211423 [0,1,0,0,0,1|2,0,0]=4 4055 B19R2.103477 CC(=O)c1cc(ccc1SCC2CCCCC2)N 62a_100012349454_100000211423 [0,1,0,0,0,1|2,0,0]=4 4056 B19R2.103477 Cc1ccc(c(c1)C(=O)N)C=CC2CCCCC2 271570a_100016283615_200012349609 [0,1,0,0,0,1|2,0,0]=4 4057 B19R2.103477 Cc1ccc(c(c1)C(=O)N)NCC2CCCCC2 34a_100011692829_100000211423 [0,1,0,0,0,1|1,0,0]=3 4058 B19R2.103477 Cc1ccc(c(c1)C(=O)N)NCC2CCCCO2 34a_100011692829_100000211543 [0,1,0,0,0,1|2,0,0]=4 4059 B19R2.103477 Cc1ccc(c(c1)C(=O)N)NCC2CCCOC2 34a_100011692829_100000741521 [0,1,0,0,0,1|2,0,0]=4 4060 B19R2.103477 Cc1ccc(c(c1)C(=O)N)NCC2CCOCC2 34a_100011692829_100000754603 [0,1,0,0,0,1|2,0,0]=4 4061 B19R2.103477 Cc1ccc(c(c1)C(=O)N)OCC2CCCCC2 34a_200000192840_100000211423 [0,1,0,0,0,1|2,0,0]=4 4062 B19R2.103477 Cc1ccc(c(c1)C(=O)N)OCC2CCCCC2 7a_200000192840_100000211423 [0,1,0,0,0,1|2,0,0]=4 4063 B19R2.103477 Cc1ccc(c(c1)C(=O)N)SCC2CCCCC2 62a_100000211423_200012349609 [0,1,0,0,0,1|2,0,0]=4 4064 B19R2.103477 Cc1ccc(c(c1)C(=O)N)SCC2CCCCC2 62a_200012349609_100000211423 [0,1,0,0,0,1|2,0,0]=4 4065 B19R2.103477 Cc1ccc(c(c1)[N+](=O)[O-])CNC2CCCCC2 207a_100000182618_100000050315 [0,1,0,0,0,1|1,0,1]=4 4066 B19R2.103477 Cc1ccc(c(c1)[N+](=O)[O-])CNC2CCCCC2 2230a_100000182618_200009879986 [0,1,0,0,0,1|1,0,1]=4 4067 B19R2.103477 Cc1ccc(c(c1)[N+](=O)[O-])CNC2CCCCC2 34a_100000182618_200009879986 [0,1,0,0,0,1|1,0,1]=4 4068 B19R2.103477 NC(=O)c1cc(ccc1C=CC2CCCCC2)Br 271570a_100016283615_200000162314 [0,1,0,0,0,1|2,0,0]=4 4069 B19R2.103477 NC(=O)c1cc(ccc1C=CC2CCCCC2)F 271570a_100016283615_100000206434 [0,1,0,0,0,1|2,0,0]=4 4070 B19R2.103477 NC(=O)c1cc(ccc1C=CC2CCCCC2)N 271570a_100016283615_100015186447 [0,1,0,0,0,1|2,0,0]=4 4071 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCC2)Br 27a_100000210473_200000162314 [0,1,0,0,0,1|1,0,0]=3 4072 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCC2)Br 34a_100000740421_100000211423 [0,1,0,0,0,1|1,0,0]=3 4073 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCC2)Br 7a_100000740421_100000211423 [0,1,0,0,0,1|1,0,0]=3 4074 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCC2)Cl 34a_100000743835_100000211423 [0,1,0,0,0,1|1,0,0]=3 4075 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCC2)Cl 7a_100000743835_100000211423 [0,1,0,0,0,1|1,0,0]=3 4076 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCC2)F 34a_100000741173_100000211423 [0,1,0,0,0,1|1,0,0]=3 4077 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCC2)F 7a_100000741173_100000211423 [0,1,0,0,0,1|1,0,0]=3 4078 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCO2)Br 27a_100000174945_200000162314 [0,1,0,0,0,1|2,0,0]=4 4079 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCO2)Br 34a_100000740421_100000211543 [0,1,0,0,0,1|2,0,0]=4 4080 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCO2)Br 7a_100000740421_100000211543 [0,1,0,0,0,1|2,0,0]=4 4081 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCO2)Cl 34a_100000743835_100000211543 [0,1,0,0,0,1|2,0,0]=4 4082 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCO2)Cl 7a_100000743835_100000211543 [0,1,0,0,0,1|2,0,0]=4 4083 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCO2)F 34a_100000741173_100000211543 [0,1,0,0,0,1|2,0,0]=4 4084 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCCO2)F 7a_100000741173_100000211543 [0,1,0,0,0,1|2,0,0]=4 4085 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCOC2)Br 27a_100000720124_200000162314 [0,1,0,0,0,1|2,0,0]=4 4086 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCOC2)Br 34a_100000740421_100000741521 [0,1,0,0,0,1|2,0,0]=4 4087 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCOC2)Br 7a_100000740421_100000741521 [0,1,0,0,0,1|2,0,0]=4 4088 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCOC2)Cl 34a_100000743835_100000741521 [0,1,0,0,0,1|2,0,0]=4 4089 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCOC2)Cl 7a_100000743835_100000741521 [0,1,0,0,0,1|2,0,0]=4 4090 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCOC2)F 34a_100000741173_100000741521 [0,1,0,0,0,1|2,0,0]=4 4091 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCCOC2)F 7a_100000741173_100000741521 [0,1,0,0,0,1|2,0,0]=4 4092 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCOCC2)Br 27a_100000746373_200000162314 [0,1,0,0,0,1|2,0,0]=4 4093 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCOCC2)Br 34a_100000740421_100000754603 [0,1,0,0,0,1|2,0,0]=4 4094 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCOCC2)Br 7a_100000740421_100000754603 [0,1,0,0,0,1|2,0,0]=4 4095 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCOCC2)Cl 34a_100000743835_100000754603 [0,1,0,0,0,1|2,0,0]=4 4096 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCOCC2)Cl 7a_100000743835_100000754603 [0,1,0,0,0,1|2,0,0]=4 4097 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCOCC2)F 34a_100000741173_100000754603 [0,1,0,0,0,1|2,0,0]=4 4098 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCOCC2)F 7a_100000741173_100000754603 [0,1,0,0,0,1|2,0,0]=4 4099 B19R2.103477 NC(=O)c1cc(ccc1NCC2CCSCC2)Br 27a_100015188806_200000162314 [0,1,0,0,0,1|2,0,0]=4 4100 B19R2.103477 NC(=O)c1cc(ccc1OCC2CCCCC2)Br 34a_100000192807_100000211423 [0,1,0,0,0,1|2,0,0]=4 4101 B19R2.103477 NC(=O)c1cc(ccc1OCC2CCCCC2)Br 7a_100000192807_100000211423 [0,1,0,0,0,1|2,0,0]=4 4102 B19R2.103477 NC(=O)c1cc(ccc1OCC2CCCCC2)Cl 34a_100000185026_100000211423 [0,1,0,0,0,1|2,0,0]=4 4103 B19R2.103477 NC(=O)c1cc(ccc1OCC2CCCCC2)Cl 7a_100000185026_100000211423 [0,1,0,0,0,1|2,0,0]=4 4104 B19R2.103477 NC(=O)c1cc(ccc1OCC2CCCCC2)F 34a_100012186459_100000211423 [0,1,0,0,0,1|2,0,0]=4 4105 B19R2.103477 NC(=O)c1cc(ccc1OCC2CCCCC2)F 7a_100012186459_100000211423 [0,1,0,0,0,1|2,0,0]=4 4106 B19R2.103477 NC(=O)c1cc(ccc1OCC2CCCCC2)I 34a_100000192813_100000211423 [0,1,0,0,0,1|2,0,0]=4 4107 B19R2.103477 NC(=O)c1cc(ccc1OCC2CCCCC2)I 7a_100000192813_100000211423 [0,1,0,0,0,1|2,0,0]=4 4108 B19R2.103477 NC(=O)c1cc(ccc1SCC2CCCCC2)Br 62a_200000162314_100000211423 [0,1,0,0,0,1|2,0,0]=4 4109 B19R2.103477 NC(=O)c1cc(ccc1SCC2CCCCC2)F 62a_100000206434_100000211423 [0,1,0,0,0,1|2,0,0]=4 4110 B19R2.103477 NC(=O)c1cc(ccc1SCC2CCCCC2)F 62a_100000211423_100000206434 [0,1,0,0,0,1|2,0,0]=4 4111 B19R2.103477 NC(=O)c1cc(ccc1SCC2CCCCC2)N 62a_100015186447_100000211423 [0,1,0,0,0,1|2,0,0]=4 4112 B19R2.103477 NC(=O)c1cc(cnc1NCC2CCCCC2)F 27a_100000210473_100012183597 [0,1,0,0,0,1|2,0,0]=4 4113 B19R2.103477 O=C(O)c1cc(ccc1SCC2CCCCC2)Br 62a_100011072988_100000211423 [0,1,0,0,0,1|1,0,0]=3 4114 B19R2.103477 O=C(O)c1cc(ccc1SCC2CCCCO2)Br 62a_100011072988_100000211543 [0,1,0,0,0,1|2,0,0]=4 4115 B19R2.103477 O=C(O)c1cc(ccc1SCC2CCCOC2)Br 62a_100011072988_100000741521 [0,1,0,0,0,1|2,0,0]=4 4116 B19R2.103477 O=C(O)c1cc(ccc1SCC2CCOCC2)Br 62a_100011072988_100000749018 [0,1,0,0,0,1|2,0,0]=4 4117 B19R2.103477 O=[N+]([O-])c1cc(ccc1CNC2CCCCC2)Br 2230a_100000182618_100012353686 [0,1,0,0,0,1|1,0,1]=4 4118 B19R2.103477 O=[N+]([O-])c1cc(ccc1CNC2CCCCC2)Br 34a_100000182618_100012353686 [0,1,0,0,0,1|1,0,1]=4 4119 B19R2.103477 O=[N+]([O-])c1cc(ccc1CNC2CCCCC2)Cl 2230a_100000182618_100000748067 [0,1,0,0,0,1|1,0,1]=4 4120 B19R2.103477 O=[N+]([O-])c1cc(ccc1CNC2CCCCC2)Cl 34a_100000182618_100000748067 [0,1,0,0,0,1|1,0,1]=4 4121 B19R2.103477 O=[N+]([O-])c1cc(ccc1CNC2CCCCC2)F 2230a_100000182618_100012145688 [0,1,0,0,0,1|1,0,1]=4 4122 B19R2.103477 O=[N+]([O-])c1cc(ccc1CNC2CCCCC2)F 34a_100000182618_100012145688 [0,1,0,0,0,1|1,0,1]=4 4123 B19R2.103477 O=[N+]([O-])c1cc(ccc1CNC2CCCCC2)I 2230a_100000182618_200010171343 [0,1,0,0,0,1|1,0,1]=4 4124 B19R2.103477 O=[N+]([O-])c1cc(ccc1CNC2CCCCC2)I 34a_100000182618_200010171343 [0,1,0,0,0,1|1,0,1]=4 4125 B19R2.103477 O=[N+]([O-])c1cc(ccc1NCC2CCCCC2)F 34a_100000187532_100000211423 [0,1,0,0,0,1|1,0,1]=4 4126 B19R2.1027014 CC(=O)c1cccnc1NCC2(CCCCC2)C 27a_100000706052_100009816689 [0,1,0,0,0,1|2,0,0]=4 4127 B19R2.1027014 CC(=O)c1cccnc1NCC2(CCCCC2)O 27a_100000748649_100009816689 [0,1,0,0,0,1|2,0,0]=4 4128 B19R2.1027014 CC(=O)c1cnccc1NCC2(CCCCC2)C 27a_100000706052_100160469449 [0,1,0,0,0,1|2,0,0]=4 4129 B19R2.1027014 CC(=O)c1cnccc1NCC2(CCCCC2)O 27a_100000748649_100160469449 [0,1,0,0,0,1|2,0,0]=4 4130 B19R2.1027014 CC1(CCCCC1)CNc2cccnc2C(=O)N 27a_100000706052_200012359670 [0,1,0,0,0,1|2,0,0]=4 4131 B19R2.1027014 CC1(CCCCC1)CNc2ccncc2C(=O)N 27a_100000706052_100000697804 [0,1,0,0,0,1|2,0,0]=4 4132 B19R2.1027014 CC1(CCCCC1)CNc2ncccc2C(=O)N 27a_100000706052_100000162199 [0,1,0,0,0,1|2,0,0]=4 4133 B19R2.1027014 CC1(CCCCC1)NCc2ccccc2B(O)O 2230a_100000741114_100009814197 [0,1,0,0,0,1|1,0,1]=4 4134 B19R2.1027014 CC1(CCCCC1)NCc2ccccc2B(O)O 34a_100000741114_100009814197 [0,1,0,0,0,1|1,0,1]=4 4135 B19R2.1027014 CC1(CCCCC1)NCc2ccccc2[N+](=O)[O-] 2230a_100000741114_100000181388 [0,1,0,0,0,1|1,0,1]=4 4136 B19R2.1027014 CC1(CCCCC1)NCc2ccccc2[N+](=O)[O-] 270004a_100000741114_100000186027 [0,1,0,0,0,1|1,0,1]=4 4137 B19R2.1027014 CC1(CCCCC1)NCc2ccccc2[N+](=O)[O-] 34a_100000741114_100000181388 [0,1,0,0,0,1|1,0,1]=4 4138 B19R2.1027014 NC(=O)c1cccnc1NCC2(CCCCC2)O 27a_100000748649_100000162199 [0,1,0,0,0,1|2,0,0]=4 4139 B19R2.1027014 NC(=O)c1cnccc1NCC2(CCCCC2)O 27a_100000748649_100000697804 [0,1,0,0,0,1|2,0,0]=4 4140 B19R2.1027014 NC(=O)c1ncccc1NCC2(CCCCC2)O 27a_100000748649_200012359670 [0,1,0,0,0,1|2,0,0]=4 4141 B19R2.4202 CC(=O)Cc1ccccc1SC2CCC(CC2)C 62a_100011350739_200011216234 [0,1,0,0,0,1|2,0,0]=4 4142 B19R2.4202 CC(=O)Nc1ccccc1NC2CCC(CC2)C 34a_100011193560_200011216234 [0,1,0,0,0,1|1,0,0]=3 4143 B19R2.4202 CC(=O)Nc1ccccc1OC2CCC(CC2)C 34a_100000185124_200011216234 [0,1,0,0,0,1|2,0,0]=4 4144 B19R2.4202 CC(=O)Oc1ccccc1SC2CCC(CC2)C 62a_100000051690_200011216234 [0,1,0,0,0,1|2,0,0]=4 4145 B19R2.4202 CC1CCC(CC1)Sc2ccccc2CC(=O)N 62a_200009814924_200011216234 [0,1,0,0,0,1|2,0,0]=4 4146 B19R2.4543 CC(=O)Cc1cc(ccc1OC2CCCCC2)Br 34a_200010006938_100000210327 [0,1,0,0,0,1|2,0,0]=4 4147 B19R2.4543 CC(=O)Cc1cc(ccc1OC2CCCCC2)Br 7a_200010006938_100000210327 [0,1,0,0,0,1|2,0,0]=4 4148 B19R2.4543 CC(=O)Nc1cc(ccc1NC2CCCCC2)Cl 34a_100000749253_100000210327 [0,1,0,0,0,1|1,0,0]=3 4149 B19R2.4543 CC(=O)Nc1cc(ccc1NC2CCCCC2)Cl 7a_100000749253_100000210327 [0,1,0,0,0,1|1,0,0]=3 4150 B19R2.4543 CC(=O)Nc1cc(ccc1NC2CCCOC2)Cl 34a_100000749253_100000693364 [0,1,0,0,0,1|2,0,0]=4 4151 B19R2.4543 CC(=O)Nc1cc(ccc1NC2CCCOC2)Cl 7a_100000749253_100000693364 [0,1,0,0,0,1|2,0,0]=4 4152 B19R2.4543 CC(=O)Nc1cc(ccc1NC2CCOCC2)Cl 7a_100000749253_100000686592 [0,1,0,0,0,1|2,0,0]=4 4153 B19R2.4543 CC(=O)Nc1cc(ccc1NC2CCSCC2)Cl 34a_100000749253_100000069128 [0,1,0,0,0,1|2,0,0]=4 4154 B19R2.4543 CC(=O)Nc1cc(ccc1NC2CCSCC2)Cl 7a_100000749253_100011500858 [0,1,0,0,0,1|2,0,0]=4 4155 B19R2.4543 CC(=O)Nc1cc(ccc1OC2CCCCC2)C 34a_100000035807_100000210327 [0,1,0,0,0,1|2,0,0]=4 4156 B19R2.4543 CC(=O)Nc1cc(ccc1OC2CCCCC2)C 7a_100000035807_100000210327 [0,1,0,0,0,1|2,0,0]=4 4157 B19R2.4543 CC(=O)Nc1cc(ccc1OC2CCCCC2)Cl 34a_100000012038_100000210327 [0,1,0,0,0,1|2,0,0]=4 4158 B19R2.4543 CC(=O)Nc1cc(ccc1OC2CCCCC2)Cl 7a_100000012038_100000210327 [0,1,0,0,0,1|2,0,0]=4 4159 B19R2.4543 CC(=O)Nc1cc(ccc1OC2CCCCC2)N 34a_100000070259_100000210327 [0,1,0,0,0,1|2,0,0]=4 4160 B19R2.4543 CC(=O)Nc1cc(ccc1OC2CCCCC2)N 7a_100000070259_100000210327 [0,1,0,0,0,1|2,0,0]=4 4161 B19R2.4543 CC(=O)Nc1cc(ccc1SC2CCCCC2)C 62a_100000210327_100000182586 [0,1,0,0,0,1|2,0,0]=4 4162 B19R2.4543 CC(=O)Nc1cc(ccc1SC2CCCCC2)F 62a_100000210327_100012558231 [0,1,0,0,0,1|2,0,0]=4 4163 B19R2.4543 CC(=O)Oc1cc(ccc1SC2CCCCC2)F 62a_100000210327_200015685721 [0,1,0,0,0,1|2,0,0]=4 4164 B19R2.4543 CC(=O)Oc1cc(ccc1SC2CCCCC2)F 62a_200015685721_100000210327 [0,1,0,0,0,1|2,0,0]=4 4165 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCCC2)Br 34a_100000749274_100000210327 [0,1,0,0,0,1|1,0,0]=3 4166 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCCC2)Br 7a_100000749274_100000210327 [0,1,0,0,0,1|1,0,0]=3 4167 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCCC2)C 34a_100000750913_100000210327 [0,1,0,0,0,1|1,0,0]=3 4168 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCCC2)C 7a_100000750913_100000210327 [0,1,0,0,0,1|1,0,0]=3 4169 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCCC2)Cl 34a_100000747302_100000210327 [0,1,0,0,0,1|1,0,0]=3 4170 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCCC2)Cl 7a_100000747302_100000210327 [0,1,0,0,0,1|1,0,0]=3 4171 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCOC2)Br 34a_100000749274_100000693364 [0,1,0,0,0,1|2,0,0]=4 4172 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCOC2)Br 7a_100000749274_100000693364 [0,1,0,0,0,1|2,0,0]=4 4173 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCOC2)C 34a_100000750913_100000693364 [0,1,0,0,0,1|2,0,0]=4 4174 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCOC2)C 7a_100000750913_100000693364 [0,1,0,0,0,1|2,0,0]=4 4175 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCOC2)Cl 34a_100000747302_100000693364 [0,1,0,0,0,1|2,0,0]=4 4176 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCCOC2)Cl 7a_100000747302_100000693364 [0,1,0,0,0,1|2,0,0]=4 4177 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCOCC2)Br 7a_100000749274_100000686592 [0,1,0,0,0,1|2,0,0]=4 4178 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCOCC2)C 7a_100000750913_100000686592 [0,1,0,0,0,1|2,0,0]=4 4179 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCOCC2)Cl 7a_100000747302_100000686592 [0,1,0,0,0,1|2,0,0]=4 4180 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCSCC2)Br 34a_100000749274_100000069128 [0,1,0,0,0,1|2,0,0]=4 4181 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCSCC2)Br 7a_100000749274_100011500858 [0,1,0,0,0,1|2,0,0]=4 4182 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCSCC2)C 34a_100000750913_100000069128 [0,1,0,0,0,1|2,0,0]=4 4183 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCSCC2)C 7a_100000750913_100011500858 [0,1,0,0,0,1|2,0,0]=4 4184 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCSCC2)Cl 34a_100000747302_100000069128 [0,1,0,0,0,1|2,0,0]=4 4185 B19R2.4556 CC(=O)Nc1ccc(cc1NC2CCSCC2)Cl 7a_100000747302_100011500858 [0,1,0,0,0,1|2,0,0]=4 4186 B19R2.4556 CC(=O)Nc1ccc(cc1OC2CCCCC2)C 34a_100000161862_100000210327 [0,1,0,0,0,1|2,0,0]=4 4187 B19R2.4556 CC(=O)Nc1ccc(cc1OC2CCCCC2)C 7a_100000161862_100000210327 [0,1,0,0,0,1|2,0,0]=4 4188 B19R2.4556 CC(=O)Nc1ccc(cc1SC2CCCCC2)Br 62a_100009813020_100000210327 [0,1,0,0,0,1|2,0,0]=4 4189 B19R2.4556 CC(=O)Nc1ccc(cc1SC2CCCCC2)C 62a_100000210327_100000152032 [0,1,0,0,0,1|2,0,0]=4 4190 B19R2.4556 CC(=O)Nc1ccc(cc1SC2CCCCC2)F 62a_100000210327_100011215554 [0,1,0,0,0,1|2,0,0]=4 4191 B19R2.5667 CC(=O)Cc1ccccc1SC2CCCCC2F 62a_100011350739_100015423560 [0,1,0,0,0,1|2,0,0]=4 4192 B19R2.5667 CC(=O)Cc1ccccc1SC2CCCCC2F 62a_100015423560_100011350739 [0,1,0,0,0,1|2,0,0]=4 4193 B19R2.5667 CC(=O)Cc1ccccc1SC2CCCCC2O 62a_100000038908_100011350739 [0,1,0,0,0,1|2,0,0]=4 4194 B19R2.5667 CC(=O)Cc1ccccc1SC2CCCCC2O 62a_100011350739_100000038908 [0,1,0,0,0,1|2,0,0]=4 4195 B19R2.5667 CC(=O)Nc1ccccc1NC2CCCCC2=O 34a_100011193560_100000754470 [0,1,0,0,0,1|1,0,1]=4 4196 B19R2.5667 CC(=O)Nc1ccccc1NC2CCCCC2F 34a_100011193560_100015423560 [0,1,0,0,0,1|1,0,0]=3 4197 B19R2.5667 CC(=O)Nc1ccccc1NC2CCCCC2O 34a_100011193560_100000038908 [0,1,0,0,0,1|1,0,0]=3 4198 B19R2.5667 CC(=O)Nc1ccccc1OC2CCCCC2F 34a_100000185124_100015423560 [0,1,0,0,0,1|2,0,0]=4 4199 B19R2.5667 CC(=O)Nc1ccccc1OC2CCCCC2O 34a_100000185124_100000038908 [0,1,0,0,0,1|2,0,0]=4 4200 B19R2.5667 CC(=O)Nc1ccccc1SC2CCCCC2F 62a_100015423560_100000153524 [0,1,0,0,0,1|2,0,0]=4 4201 B19R2.5667 CC(=O)Nc1ccccc1SC2CCCCC2O 62a_100000038908_100000153524 [0,1,0,0,0,1|2,0,0]=4 4202 B19R2.5667 CC(=O)Oc1ccccc1SC2CCCCC2F 62a_100000051690_100015423560 [0,1,0,0,0,1|2,0,0]=4 4203 B19R2.5667 CC(=O)Oc1ccccc1SC2CCCCC2F 62a_100015423560_100000051690 [0,1,0,0,0,1|2,0,0]=4 4204 B19R2.5667 CC(=O)Oc1ccccc1SC2CCCCC2O 62a_100000038908_100000051690 [0,1,0,0,0,1|2,0,0]=4 4205 B19R2.5667 CC(=O)Oc1ccccc1SC2CCCCC2O 62a_100000051690_100000038908 [0,1,0,0,0,1|2,0,0]=4 4206 B19R2.5667 NC(=O)Cc1ccccc1SC2CCCCC2F 62a_100015423560_200009814924 [0,1,0,0,0,1|2,0,0]=4 4207 B19R2.5667 NC(=O)Cc1ccccc1SC2CCCCC2F 62a_200009814924_100015423560 [0,1,0,0,0,1|2,0,0]=4 4208 B19R2.5667 NC(=O)Cc1ccccc1SC2CCCCC2O 62a_100000038908_200009814924 [0,1,0,0,0,1|2,0,0]=4 4209 B19R2.5667 NC(=O)Cc1ccccc1SC2CCCCC2O 62a_200009814924_100000038908 [0,1,0,0,0,1|2,0,0]=4 4210 B19R2.5667 NC(=O)Nc1ccccc1SC2CCCCC2F 62a_100015423560_100000742221 [0,1,0,0,0,1|2,0,0]=4 4211 B19R2.5667 NC(=O)Nc1ccccc1SC2CCCCC2O 62a_100000038908_100000742221 [0,1,0,0,0,1|2,0,0]=4 4212 B19R2.12914 C=CC(=O)Nc1ccccc1SC2CCCCC2 1626a_100011235873_100000185746 [0,1,0,0,0,1|2,0,0]=4 4213 B19R2.12914 C=CC(=O)Nc1ccccc1SC2CCCCC2 22a_100011235873_100000185746 [0,1,0,0,0,1|2,0,0]=4 4214 B19R2.12914 CCC(=O)Nc1ccccc1SC2CCCCC2 11a_100011235873_100000210414 [0,1,0,0,0,1|2,0,0]=4 4215 B19R2.12914 CCC(=O)Nc1ccccc1SC2CCCCC2 1626a_100011235873_100000210414 [0,1,0,0,0,1|2,0,0]=4 4216 B19R2.12914 CCC(=O)Nc1ccccc1SC2CCCCC2 22a_100011235873_100000210414 [0,1,0,0,0,1|2,0,0]=4 4217 B19R2.12914 CCC(=O)Nc1ccccc1SC2CCCCC2 62a_100000210327_100000153536 [0,1,0,0,0,1|2,0,0]=4 4218 B19R2.12914 CNC(=O)Cc1ccccc1NC2CCCCC2 34a_100000738506_100000210327 [0,1,0,0,0,1|1,0,0]=3 4219 B19R2.12914 CNC(=O)Cc1ccccc1NC2CCCOC2 34a_100000738506_100000693364 [0,1,0,0,0,1|2,0,0]=4 4220 B19R2.12914 CNC(=O)Cc1ccccc1NC2CCSCC2 34a_100000738506_100000069128 [0,1,0,0,0,1|2,0,0]=4 4221 B19R2.12914 CNC(=O)Cc1ccccc1SC2CCCCC2 62a_100000210327_200009816160 [0,1,0,0,0,1|2,0,0]=4 4222 B19R2.12914 CNC(=O)Cc1ccccc1SC2CCCCC2 62a_200009816160_100000210327 [0,1,0,0,0,1|2,0,0]=4 4223 B19R2.12914 CNC(=O)Nc1ccccc1SC2CCCCC2 2430a_100011235873_100102657272 [0,1,0,0,0,1|2,0,0]=4 4224 B19R2.12914 CNC(=O)Nc1ccccc1SC2CCCCC2 512a_100011235873_100102657272 [0,1,0,0,0,1|2,0,0]=4 4225 B19R2.12914 COC(=O)Cc1ccccc1OC2CCCCC2 7a_100000758901_100000210327 [0,1,0,0,0,1|1,0,0]=3 4226 B19R2.12914 COC(=O)Cc1ccccc1OC2CCCOC2 7a_100000758901_100000693364 [0,1,0,0,0,1|2,0,0]=4 4227 B19R2.12914 COC(=O)Cc1ccccc1OC2CCOCC2 7a_100000758901_100000686592 [0,1,0,0,0,1|2,0,0]=4 4228 B19R2.12914 COC(=O)Cc1ccccc1OC2CCSCC2 7a_100000758901_100011500858 [0,1,0,0,0,1|2,0,0]=4 4229 B19R2.12914 COC(=O)Cc1ccccc1SC2CCCCC2 62a_100000210327_100000699816 [0,1,0,0,0,1|1,0,0]=3 4230 B19R2.12914 COC(=O)Cc1ccccc1SC2CCCCC2 62a_100000699816_100000210327 [0,1,0,0,0,1|1,0,0]=3 4231 B19R2.12914 COC(=O)Cc1ccccc1SC2CCCOC2 62a_100000699816_100000693364 [0,1,0,0,0,1|2,0,0]=4 4232 B19R2.12914 COC(=O)Cc1ccccc1SC2CCOCC2 62a_100000699816_100011324220 [0,1,0,0,0,1|2,0,0]=4 4233 B19R2.12914 COC(=O)Cc1ccccc1SC2CCSCC2 62a_100000699816_100000069128 [0,1,0,0,0,1|2,0,0]=4 4234 B19R2.12914 COC(=O)Cc1cccnc1SC2CCCCC2 62a_100000210327_100010293180 [0,1,0,0,0,1|2,0,0]=4 4235 B19R2.12914 COC(=O)Cc1cccnc1SC2CCCCC2 62a_100010293180_100000210327 [0,1,0,0,0,1|2,0,0]=4 4236 B19R2.12914 COC(=O)Cc1ncccc1SC2CCCCC2 62a_100000210327_100012347948 [0,1,0,0,0,1|2,0,0]=4 4237 B19R2.12914 COC(=O)Cc1ncccc1SC2CCCCC2 62a_100012347948_100000210327 [0,1,0,0,0,1|2,0,0]=4 4238 B19R2.12914 COC(=O)Nc1ccccc1SC2CCCCC2 62a_100000210327_100000216184 [0,1,0,0,0,1|1,0,0]=3 4239 B19R2.12914 NCC(=O)Nc1ccccc1SC2CCCCC2 62a_100000210327_100000683505 [0,1,0,0,0,1|2,0,0]=4 4240 B19R2.12914 NNC(=O)Cc1ccccc1OC2CCCCC2 34a_200012021708_100000210327 [0,1,0,0,0,1|2,0,0]=4 4241 B19R2.12914 NNC(=O)Cc1ccccc1SC2CCCCC2 62a_100000210327_200010210069 [0,1,0,0,0,1|2,0,0]=4 4242 B19R2.12914 NNC(=O)Cc1ccccc1SC2CCCCC2 62a_200010210069_100000210327 [0,1,0,0,0,1|2,0,0]=4 4243 B19R2.12914 O=C(CCl)Nc1ccccc1OC2CCCCC2 7a_100000014494_100000210327 [0,1,0,0,0,1|2,0,0]=4 4244 B19R2.12914 O=C(CO)Nc1ccccc1CN2CCCCC2 22a_100011207396_100000210174 [0,1,0,0,0,1|2,0,0]=4 4245 B19R2.12914 O=C(CO)Nc1ccccc1OC2CCOCC2 22a_100011439705_100000210174 [0,1,0,0,0,1|2,0,0]=4 4246 B19R2.12914 O=C(CO)Nc1ccccc1SC2CCCCC2 22a_100011235873_100000210174 [0,1,0,0,0,1|1,0,0]=3 4247 B19R2.20628 CS(=O)(=O)Cc1ccccc1NC2CCCCC2 34a_200000747482_100000210327 [0,1,0,0,0,1|1,0,1]=4 4248 B19R2.20628 CS(=O)(=O)Cc1ccccc1NC2CCCCC2 7a_200000747482_100000210327 [0,1,0,0,0,1|1,0,1]=4 4249 B19R2.20628 CS(=O)(=O)Nc1ccccc1NC2CCCCC2 34a_100011193664_100000210327 [0,1,0,0,0,1|1,0,1]=4 4250 B19R2.61548 CC(=O)Nc1c(cccc1OC2CCCCC2)C 34a_100000103797_100000210327 [0,1,0,0,0,1|2,0,0]=4 4251 B19R2.61548 CC(=O)Nc1c(cccc1OC2CCCCC2)C 7a_100000103797_100000210327 [0,1,0,0,0,1|2,0,0]=4 4252 B19R2.61557 Cc1cccc(c1SC2CCCCC2)CC(=O)N 62a_100000210327_100011096275 [0,1,0,0,0,1|2,0,0]=4 4253 B19R2.61557 Cc1cccc(c1SC2CCCCC2)CC(=O)N 62a_100011096275_100000210327 [0,1,0,0,0,1|2,0,0]=4 4254 B19R2.7357 CC(=O)c1ccccc1SC2CCCCCC2=O 62a_100000751169_100000243696 [0,1,0,0,0,1|2,0,0]=4 4255 B19R2.7357 NC(=O)c1ccccc1OC2CCCCCC2=O 7a_100000192804_100000243696 [0,1,0,0,0,1|2,0,0]=4 4256 B19R2.7357 NC(=O)c1ccccc1SC2CCCCCC2=O 62a_100000162227_100000243696 [0,1,0,0,0,1|2,0,0]=4 4257 B19R2.7357 NC(=O)c1ccccc1SC2CCCCCC2=O 62a_100000243696_100000162227 [0,1,0,0,0,1|2,0,0]=4 4258 B19R2.7357 O=C(O)c1ccccc1SC2CCCCCC2=O 62a_100000243696_100000734275 [0,1,0,0,0,1|1,0,0]=3 4259 B19R2.7357 O=C(O)c1ccccc1SC2CCCCCC2=O 62a_202125556159_100000243696 [0,1,0,0,0,1|1,0,0]=3 4260 B19R2.7357 O=C(O)c1ccccc1SC2CCCCNC2=O 62a_100000735217_100000734275 [0,1,0,0,0,1|1,0,1]=4 4261 B19R2.7357 O=C(O)c1ccccc1SC2CCCCNC2=O 62a_202125556159_100000735217 [0,1,0,0,0,1|1,0,1]=4 4262 B19R2.7357 O=C([O-])c1ccccc1OC2CCCCCC2=O 7a_100015234032_100000243696 [0,1,0,0,0,1|1,0,1]=4 4263 B19R2.157399 CC(=NO)c1ccccc1OC2CCCCCC2 34a_100000164216_100011217769 [0,1,0,0,0,1|2,0,0]=4 4264 B19R2.157399 CNC(=O)c1ccccc1NC2CCCCCC2 27a_100000210984_100000155073 [0,1,0,0,0,1|1,0,0]=3 4265 B19R2.157399 CNC(=O)c1ccccc1NC2CCCCCC2 34a_100000185696_100011217769 [0,1,0,0,0,1|1,0,0]=3 4266 B19R2.157399 CNC(=O)c1ccccc1OC2CCCCCC2 34a_100000185920_100011217769 [0,1,0,0,0,1|2,0,0]=4 4267 B19R2.157399 CNC(=O)c1ccccc1SC2CCCCCC2 62a_100000155073_100011217769 [0,1,0,0,0,1|2,0,0]=4 4268 B19R2.157399 CNC(=O)c1ccccc1SC2CCCCCC2 62a_100011217769_100000155073 [0,1,0,0,0,1|2,0,0]=4 4269 B19R2.157399 CNC(=O)c1cccnc1NC2CCCCCC2 27a_100000210984_100000159833 [0,1,0,0,0,1|2,0,0]=4 4270 B19R2.157399 COC(=O)c1ccccc1CN2CCCCCC2 2230a_100000185865_100000744672 [0,1,0,0,0,1|2,0,0]=4 4271 B19R2.157399 COC(=O)c1ccccc1CN2CCCCCC2 269982a_100000185865_100000744672 [0,1,0,0,0,1|2,0,0]=4 4272 B19R2.157399 COC(=O)c1ccccc1CN2CCCCCC2 34a_100000185865_100000744672 [0,1,0,0,0,1|2,0,0]=4 4273 B19R2.157399 COC(=O)c1ccccc1CN2CCCOCC2 2230a_100000685342_100000744672 [0,1,0,0,0,1|2,0,0]=4 4274 B19R2.157399 COC(=O)c1ccccc1CN2CCCOCC2 269982a_100000685342_100000744672 [0,1,0,0,0,1|2,0,0]=4 4275 B19R2.157399 COC(=O)c1ccccc1CN2CCCOCC2 34a_100000685342_100000744672 [0,1,0,0,0,1|2,0,0]=4 4276 B19R2.157399 COC(=O)c1ccccc1SC2CCCCCC2 62a_100000148710_100011217769 [0,1,0,0,0,1|1,0,0]=3 4277 B19R2.157399 COC(=O)c1ccccc1SC2CCCCCC2 62a_100011217769_100000148710 [0,1,0,0,0,1|1,0,0]=3 4278 B19R2.157399 COC(=O)c1cccnc1NC2CCCCCC2 27a_100000210984_100000150852 [0,1,0,0,0,1|1,0,0]=3 4279 B19R2.157399 COC(=O)c1cccnc1SC2CCCCCC2 62a_100011217769_100000150852 [0,1,0,0,0,1|2,0,0]=4 4280 B19R2.157399 COC(=O)c1cccnc1SC2CCCCCC2 62a_100011587185_100011217769 [0,1,0,0,0,1|2,0,0]=4 4281 B19R2.157399 COC(=O)c1ccncc1SC2CCCCCC2 62a_100010008606_100011217769 [0,1,0,0,0,1|2,0,0]=4 4282 B19R2.157399 COC(=O)c1ccncc1SC2CCCCCC2 62a_100011217769_100010008606 [0,1,0,0,0,1|2,0,0]=4 4283 B19R2.157399 COC(=O)c1cnccc1SC2CCCCCC2 62a_100011217769_100020629055 [0,1,0,0,0,1|2,0,0]=4 4284 B19R2.157399 COC(=O)c1cnccc1SC2CCCCCC2 62a_100020629055_100011217769 [0,1,0,0,0,1|2,0,0]=4 4285 B19R2.157399 COC(=O)c1cncnc1NC2CCCCCC2 27a_100000210984_100000726419 [0,1,0,0,0,1|2,0,0]=4 4286 B19R2.157399 COC(=O)c1ncccc1OC2CCCCCC2 34a_100000744052_100011217769 [0,1,0,0,0,1|2,0,0]=4 4287 B19R2.157399 COC(=O)c1ncccc1SC2CCCCCC2 62a_100011217769_100011935214 [0,1,0,0,0,1|2,0,0]=4 4288 B19R2.157399 COC(=O)c1ncccc1SC2CCCCCC2 62a_100011935214_100011217769 [0,1,0,0,0,1|2,0,0]=4 4289 B19R2.157399 COC(=O)c1nccnc1NC2CCCCCC2 27a_100000210984_100000079898 [0,1,0,0,0,1|2,0,0]=4 4290 B19R2.157399 NNC(=O)c1ccccc1OC2CCCCCC2 34a_100000186518_100011217769 [0,1,0,0,0,1|2,0,0]=4 4291 B19R2.157399 NNC(=O)c1ccccc1SC2CCCCCC2 62a_100000190081_100011217769 [0,1,0,0,0,1|2,0,0]=4 4292 B19R2.157399 NNC(=O)c1ccccc1SC2CCCCCC2 62a_100011217769_100000190081 [0,1,0,0,0,1|2,0,0]=4 4293 B19R2.157399 O=C(NO)c1ccccc1OC2CCCCCC2 34a_100000188472_100011217769 [0,1,0,0,0,1|1,0,0]=3 4294 B19R2.157399 O=C(O[Na])c1ccccc1SC2CCCCCC2 62a_100011217769_114855342371 [0,1,0,0,0,1|1,0,0]=3 4295 B19R2.257044 CC(C)(O)c1ccccc1NC2CCCCCC2 34a_100000081495_100011217769 [0,1,0,0,0,1|1,0,1]=4 4296 B19R2.257044 CP(=O)(C)c1ccccc1NC2CCCCCC2 34a_100010749338_100011217769 [0,1,0,0,0,1|2,0,0]=4 4297 B19R2.257044 CS(=O)(=O)c1ccccc1NC2CCCCCC2 34a_100000241000_100011217769 [0,1,0,0,0,1|1,0,1]=4 4298 B19R2.257044 NS(=O)(=O)c1ccccc1NC2CCCCCC2 34a_100011204920_100011217769 [0,1,0,0,0,1|1,0,1]=4 4299 B19R2.507539 CC(=O)c1ccc(cc1NC2CCCCCC2)F 27a_100000210984_100000686192 [0,1,0,0,0,1|1,0,0]=3 4300 B19R2.507539 CC(=O)c1ccc(cc1OC2CCCCCC2)C 34a_100000234885_100011217769 [0,1,0,0,0,1|2,0,0]=4 4301 B19R2.507539 CC(=O)c1ccc(cc1OC2CCCCCC2)Cl 34a_100000061402_100011217769 [0,1,0,0,0,1|2,0,0]=4 4302 B19R2.507539 CC(=O)c1ccc(cc1SC2CCCCCC2)F 62a_100000686192_100011217769 [0,1,0,0,0,1|2,0,0]=4 4303 B19R2.507539 CC(=O)c1ccc(cc1SC2CCCCCC2)O 62a_100012340537_100011217769 [0,1,0,0,0,1|2,0,0]=4 4304 B19R2.507539 Cc1ccc(c(c1)NC2CCCCCC2)C(=O)N 34a_100011219537_100011217769 [0,1,0,0,0,1|1,0,0]=3 4305 B19R2.507539 Cc1ccc(c(c1)OC2CCCCCC2)C(=O)N 34a_100000192831_100011217769 [0,1,0,0,0,1|2,0,0]=4 4306 B19R2.507539 Cc1ccc(c(n1)NC2CCCCCC2)C(=O)N 27a_100000210984_100000041523 [0,1,0,0,0,1|2,0,0]=4 4307 B19R2.507539 NC(=O)c1ccc(cc1NC2CCCCCC2)Br 27a_100000210984_100009815748 [0,1,0,0,0,1|1,0,0]=3 4308 B19R2.507539 NC(=O)c1ccc(cc1NC2CCCCCC2)Cl 34a_100000738103_100011217769 [0,1,0,0,0,1|1,0,0]=3 4309 B19R2.507539 NC(=O)c1ccc(cc1NC2CCCCCC2)F 27a_100000210984_100000206404 [0,1,0,0,0,1|1,0,0]=3 4310 B19R2.507539 NC(=O)c1ccc(cc1NC2CCCCCC2)F 34a_100011298637_100011217769 [0,1,0,0,0,1|1,0,0]=3 4311 B19R2.507539 NC(=O)c1ccc(cc1OC2CCCCCC2)Br 34a_100011550861_100011217769 [0,1,0,0,0,1|2,0,0]=4 4312 B19R2.507539 NC(=O)c1ccc(cc1OC2CCCCCC2)Cl 34a_100000192836_100011217769 [0,1,0,0,0,1|2,0,0]=4 4313 B19R2.507539 NC(=O)c1ccc(cc1OC2CCCCCC2)N 34a_100000223280_100011217769 [0,1,0,0,0,1|2,0,0]=4 4314 B19R2.507539 NC(=O)c1ccc(cc1SC2CCCCCC2)Br 62a_100009815748_100011217769 [0,1,0,0,0,1|2,0,0]=4 4315 B19R2.507539 NC(=O)c1ccc(cc1SC2CCCCCC2)F 62a_100000206404_100011217769 [0,1,0,0,0,1|2,0,0]=4 4316 B19R2.507539 NC(=O)c1ccc(cc1SC2CCCCCC2)F 62a_100011217769_100000206404 [0,1,0,0,0,1|2,0,0]=4 4317 B19R2.507539 O=[N+]([O-])c1ccc(cc1NC2CCCCCC2)F 34a_100000746377_100011217769 [0,1,0,0,0,1|1,0,1]=4 4318 B19R2.954668 CC(=O)c1cccc(c1OC2CCCCCC2)C 34a_100009847209_100011217769 [0,1,0,0,0,1|2,0,0]=4 4319 B19R2.954668 CC(=O)c1cccc(c1OC2CCCCCC2)Cl 34a_100000043392_100011217769 [0,1,0,0,0,1|2,0,0]=4 4320 B19R2.954668 CC(=O)c1cccc(c1OC2CCCCCC2)F 34a_100011246037_100011217769 [0,1,0,0,0,1|2,0,0]=4 4321 B19R2.954668 CC(=O)c1cccc(c1SC2CCCCCC2)F 62a_100011217769_100012362612 [0,1,0,0,0,1|2,0,0]=4 4322 B19R2.954668 CC(=O)c1cccc(c1SC2CCCCCC2)F 62a_100012362612_100011217769 [0,1,0,0,0,1|2,0,0]=4 4323 B19R2.954668 Cc1cccc(c1NC2CCCCCC2)C(=O)N 34a_100000223273_100011217769 [0,1,0,0,0,1|1,0,0]=3 4324 B19R2.954668 Cc1cccc(c1SC2CCCCCC2)C(=O)N 62a_100011217769_200011409216 [0,1,0,0,0,1|2,0,0]=4 4325 B19R2.954668 Cc1cccc(c1SC2CCCCCC2)C(=O)N 62a_200011409216_100011217769 [0,1,0,0,0,1|2,0,0]=4 4326 B19R2.954668 NC(=O)c1cccc(c1NC2CCCCCC2)Cl 34a_200011997947_100011217769 [0,1,0,0,0,1|1,0,0]=3 4327 B19R2.954668 NC(=O)c1cccc(c1NC2CCCCCC2)F 34a_100011722151_100011217769 [0,1,0,0,0,1|1,0,0]=3 4328 B19R2.954668 NC(=O)c1cccc(c1OC2CCCCCC2)Cl 34a_100009868166_100011217769 [0,1,0,0,0,1|2,0,0]=4 4329 B19R2.954668 NC(=O)c1cccc(c1OC2CCCCCC2)F 34a_100009886295_100011217769 [0,1,0,0,0,1|2,0,0]=4 4330 B19R2.954668 NC(=O)c1cccc(c1SC2CCCCCC2)F 62a_100011217769_200012351544 [0,1,0,0,0,1|2,0,0]=4 4331 B19R2.954668 NC(=O)c1cccc(c1SC2CCCCCC2)F 62a_200012351544_100011217769 [0,1,0,0,0,1|2,0,0]=4 4332 B19R2.954668 O=[N+]([O-])c1cccc(c1NC2CCCCCC2)F 34a_100000687224_100011217769 [0,1,0,0,0,1|1,0,1]=4 4333 B19R2.956320 CC(=O)c1c(cccc1OC2CCCCCC2)Br 34a_100010174959_100011217769 [0,1,0,0,0,1|2,0,0]=4 4334 B19R2.956320 CC(=O)c1c(cccc1OC2CCCCCC2)C 34a_100009860897_100011217769 [0,1,0,0,0,1|2,0,0]=4 4335 B19R2.956320 CC(=O)c1c(cccc1OC2CCCCCC2)Cl 34a_100000730630_100011217769 [0,1,0,0,0,1|2,0,0]=4 4336 B19R2.956320 CC(=O)c1c(cccc1OC2CCCCCC2)F 34a_100011216272_100011217769 [0,1,0,0,0,1|2,0,0]=4 4337 B19R2.956320 CC(=O)c1c(cccc1SC2CCCCCC2)F 62a_100012351873_100011217769 [0,1,0,0,0,1|2,0,0]=4 4338 B19R2.956320 Cc1cccc(c1C(=O)N)NC2CCCCCC2 34a_100102558177_100011217769 [0,1,0,0,0,1|1,0,0]=3 4339 B19R2.956320 Cc1cccc(c1[N+](=O)[O-])NC2CCCCCC2 34a_100011424894_100011217769 [0,1,0,0,0,1|1,0,1]=4 4340 B19R2.956320 NC(=O)c1c(cccc1NC2CCCCCC2)Cl 34a_100000764435_100011217769 [0,1,0,0,0,1|1,0,0]=3 4341 B19R2.956320 NC(=O)c1c(cccc1NC2CCCCCC2)F 27a_100000210984_100011219063 [0,1,0,0,0,1|1,0,0]=3 4342 B19R2.956320 NC(=O)c1c(cccc1NC2CCCCCC2)F 34a_100000036109_100011217769 [0,1,0,0,0,1|1,0,0]=3 4343 B19R2.956320 NC(=O)c1c(cccc1OC2CCCCCC2)F 34a_100000701607_100011217769 [0,1,0,0,0,1|2,0,0]=4 4344 B19R2.956320 NC(=O)c1c(cccc1SC2CCCCCC2)Cl 62a_100010147686_100011217769 [0,1,0,0,0,1|2,0,0]=4 4345 B19R2.956320 NC(=O)c1c(cccc1SC2CCCCCC2)F 62a_100011219063_100011217769 [0,1,0,0,0,1|2,0,0]=4 4346 B19R2.956320 O=[N+]([O-])c1c(cccc1NC2CCCCCC2)F 34a_100011219493_100011217769 [0,1,0,0,0,1|1,0,1]=4 4347 B19R2.969022 C=C(C)c1cc(ccc1NC2CCCCCC2)F 34a_100009961556_100011217769 [0,1,0,0,0,1|2,0,0]=4 4348 B19R2.969022 CC(=O)c1cc(ccc1OC2CCCCCC2)Br 34a_100000212127_100011217769 [0,1,0,0,0,1|2,0,0]=4 4349 B19R2.969022 CC(=O)c1cc(ccc1OC2CCCCCC2)C 34a_100000195442_100011217769 [0,1,0,0,0,1|2,0,0]=4 4350 B19R2.969022 CC(=O)c1cc(ccc1OC2CCCCCC2)Cl 34a_100000185566_100011217769 [0,1,0,0,0,1|2,0,0]=4 4351 B19R2.969022 CC(=O)c1cc(ccc1OC2CCCCCC2)N 34a_100011218865_100011217769 [0,1,0,0,0,1|2,0,0]=4 4352 B19R2.969022 CC(=O)c1cc(ccc1SC2CCCCCC2)F 62a_100011217769_100010200798 [0,1,0,0,0,1|2,0,0]=4 4353 B19R2.969022 CC(=O)c1cc(ccc1SC2CCCCCC2)F 62a_100012353695_100011217769 [0,1,0,0,0,1|2,0,0]=4 4354 B19R2.969022 CC(=O)c1cc(ccc1SC2CCCCCC2)N 62a_100012349454_100011217769 [0,1,0,0,0,1|2,0,0]=4 4355 B19R2.969022 Cc1ccc(c(c1)C(=O)N)NC2CCCCCC2 34a_100011692829_100011217769 [0,1,0,0,0,1|1,0,0]=3 4356 B19R2.969022 Cc1ccc(c(c1)C(=O)N)OC2CCCCCC2 34a_200000192840_100011217769 [0,1,0,0,0,1|2,0,0]=4 4357 B19R2.969022 Cc1ccc(c(c1)C(=O)N)SC2CCCCCC2 62a_100011217769_200012349609 [0,1,0,0,0,1|2,0,0]=4 4358 B19R2.969022 Cc1ccc(c(c1)C(=O)N)SC2CCCCCC2 62a_200012349609_100011217769 [0,1,0,0,0,1|2,0,0]=4 4359 B19R2.969022 NC(=O)c1cc(ccc1NC2CCCCCC2)Br 27a_100000210984_200000162314 [0,1,0,0,0,1|1,0,0]=3 4360 B19R2.969022 NC(=O)c1cc(ccc1NC2CCCCCC2)Br 34a_100000740421_100011217769 [0,1,0,0,0,1|1,0,0]=3 4361 B19R2.969022 NC(=O)c1cc(ccc1NC2CCCCCC2)Cl 34a_100000743835_100011217769 [0,1,0,0,0,1|1,0,0]=3 4362 B19R2.969022 NC(=O)c1cc(ccc1NC2CCCCCC2)F 34a_100000741173_100011217769 [0,1,0,0,0,1|1,0,0]=3 4363 B19R2.969022 NC(=O)c1cc(ccc1OC2CCCCCC2)Br 34a_100000192807_100011217769 [0,1,0,0,0,1|2,0,0]=4 4364 B19R2.969022 NC(=O)c1cc(ccc1OC2CCCCCC2)Cl 34a_100000185026_100011217769 [0,1,0,0,0,1|2,0,0]=4 4365 B19R2.969022 NC(=O)c1cc(ccc1OC2CCCCCC2)F 34a_100012186459_100011217769 [0,1,0,0,0,1|2,0,0]=4 4366 B19R2.969022 NC(=O)c1cc(ccc1OC2CCCCCC2)I 34a_100000192813_100011217769 [0,1,0,0,0,1|2,0,0]=4 4367 B19R2.969022 NC(=O)c1cc(ccc1SC2CCCCCC2)Br 62a_200000162314_100011217769 [0,1,0,0,0,1|2,0,0]=4 4368 B19R2.969022 NC(=O)c1cc(ccc1SC2CCCCCC2)F 62a_100000206434_100011217769 [0,1,0,0,0,1|2,0,0]=4 4369 B19R2.969022 NC(=O)c1cc(ccc1SC2CCCCCC2)F 62a_100011217769_100000206434 [0,1,0,0,0,1|2,0,0]=4 4370 B19R2.969022 NC(=O)c1cc(ccc1SC2CCCCCC2)N 62a_100015186447_100011217769 [0,1,0,0,0,1|2,0,0]=4 4371 B19R2.969022 NC(=O)c1cc(cnc1NC2CCCCCC2)F 27a_100000210984_100012183597 [0,1,0,0,0,1|2,0,0]=4 4372 B19R2.969022 O=C(O)c1cc(ccc1SC2CCCCCC2)Br 62a_100011072988_100011217769 [0,1,0,0,0,1|1,0,0]=3 4373 B19R2.969022 O=[N+]([O-])c1cc(ccc1NC2CCCCCC2)F 34a_100000187532_100011217769 [0,1,0,0,0,1|1,0,1]=4 4374 B19R2.1028239 CC(=O)c1cccnc1N(C)C2CCCCCC2 27a_100015185097_100009816689 [0,1,0,0,0,1|2,0,0]=4 4375 B19R2.1028239 CC(=O)c1cnccc1N(C)C2CCCCCC2 27a_100015185097_100160469449 [0,1,0,0,0,1|2,0,0]=4 4376 B19R2.1028239 CN(c1ccccc1C(=O)N)C2CCCCCC2 269982a_100000184419_100011217769 [0,1,0,0,0,1|1,0,0]=3 4377 B19R2.1028239 CN(c1ccccc1[N+](=O)[O-])C2CCCCCC2 269982a_100000156515_100011217769 [0,1,0,0,0,1|1,0,1]=4 4378 B19R2.1028239 CN(c1cccnc1C(=O)N)C2CCCCCC2 27a_100015185097_200012359670 [0,1,0,0,0,1|2,0,0]=4 4379 B19R2.1028239 CN(c1ccncc1C(=O)N)C2CCCCCC2 27a_100015185097_100000697804 [0,1,0,0,0,1|2,0,0]=4 4380 B19R2.1028239 CN(c1ncccc1C(=O)N)C2CCCCCC2 27a_100015185097_100000162199 [0,1,0,0,0,1|2,0,0]=4 4381 B19R2.115 CC(=O)c1cccnc1NC2CCC(CC2)C#N 27a_100102422146_100009816689 [0,2,0,0,0,0|2,0,0]=4 4382 B19R2.115 CC(=O)c1cccnc1N[C@H]2CC[C@@H](CC2)CO 27a_100009821084_100009816689 [0,2,0,0,0,0|2,0,0]=4 4383 B19R2.115 CC(=O)c1cnccc1NC2CCC(CC2)C#N 27a_100102422146_100160469449 [0,2,0,0,0,0|2,0,0]=4 4384 B19R2.115 CC(=O)c1cnccc1N[C@H]2CC[C@@H](CC2)CO 27a_100009821084_100160469449 [0,2,0,0,0,0|2,0,0]=4 4385 B19R2.115 CCC1CCC(CC1)Nc2cccnc2C(=O)N 27a_100011194317_200012359670 [0,2,0,0,0,0|2,0,0]=4 4386 B19R2.115 CCC1CCC(CC1)Nc2ccncc2C(=O)C 27a_100011194317_100160469449 [0,2,0,0,0,0|2,0,0]=4 4387 B19R2.115 CCC1CCC(CC1)Nc2ccncc2C(=O)N 27a_100011194317_100000697804 [0,2,0,0,0,0|2,0,0]=4 4388 B19R2.115 CCC1CCC(CC1)Nc2ncccc2C(=O)C 27a_100011194317_100009816689 [0,2,0,0,0,0|2,0,0]=4 4389 B19R2.115 CCC1CCC(CC1)Nc2ncccc2C(=O)N 27a_100011194317_100000162199 [0,2,0,0,0,0|2,0,0]=4 4390 B19R2.115 COC1CCC(CC1)Nc2cccnc2C(=O)N 27a_100015205214_200012359670 [0,2,0,0,0,0|2,0,0]=4 4391 B19R2.115 COC1CCC(CC1)Nc2ccncc2C(=O)C 27a_100015205214_100160469449 [0,2,0,0,0,0|2,0,0]=4 4392 B19R2.115 COC1CCC(CC1)Nc2ccncc2C(=O)N 27a_100015205214_100000697804 [0,2,0,0,0,0|2,0,0]=4 4393 B19R2.115 COC1CCC(CC1)Nc2ncccc2C(=O)C 27a_100015205214_100009816689 [0,2,0,0,0,0|2,0,0]=4 4394 B19R2.115 COC1CCC(CC1)Nc2ncccc2C(=O)N 27a_100015205214_100000162199 [0,2,0,0,0,0|2,0,0]=4 4395 B19R2.115 N#CC1CCC(CC1)Nc2cccnc2C(=O)N 27a_100102422146_200012359670 [0,2,0,0,0,0|2,0,0]=4 4396 B19R2.115 N#CC1CCC(CC1)Nc2ccncc2C(=O)N 27a_100102422146_100000697804 [0,2,0,0,0,0|2,0,0]=4 4397 B19R2.115 N#CC1CCC(CC1)Nc2ncccc2C(=O)N 27a_100102422146_100000162199 [0,2,0,0,0,0|2,0,0]=4 4398 B19R2.115 NC(=O)c1cccnc1N[C@H]2CC[C@@H](CC2)CO 27a_100009821084_100000162199 [0,2,0,0,0,0|2,0,0]=4 4399 B19R2.115 NC(=O)c1cnccc1N[C@H]2CC[C@@H](CC2)CO 27a_100009821084_100000697804 [0,2,0,0,0,0|2,0,0]=4 4400 B19R2.115 NC(=O)c1ncccc1N[C@H]2CC[C@@H](CC2)CO 27a_100009821084_200012359670 [0,2,0,0,0,0|2,0,0]=4 4401 B19R2.4203 CC1CCC(CC1)Nc2ccccc2C(C)(C)O 34a_100000081495_200011216234 [0,2,0,0,0,0|1,0,1]=4 4402 B19R2.4203 CC1CCC(CC1)Nc2ccccc2P(=O)(C)C 34a_100010749338_200011216234 [0,2,0,0,0,0|2,0,0]=4 4403 B19R2.4203 CC1CCC(CC1)Nc2ccccc2S(=O)(=O)C 34a_100000241000_200011216234 [0,2,0,0,0,0|1,0,1]=4 4404 B19R2.4203 CC1CCC(CC1)Nc2ccccc2S(=O)(=O)N 34a_100011204920_200011216234 [0,2,0,0,0,0|1,0,1]=4 4405 B19R2.11953 CC(=O)c1cccnc1N(C)[C@H]2CC[C@H](CC2)O 27a_100020636401_100009816689 [0,2,0,0,0,0|2,0,0]=4 4406 B19R2.11953 CC(=O)c1cnccc1N(C)[C@H]2CC[C@H](CC2)O 27a_100020636401_100160469449 [0,2,0,0,0,0|2,0,0]=4 4407 B19R2.11953 CC1CCC(CC1)N(C)c2ccccc2C(=O)N 269982a_100000184419_200011216234 [0,2,0,0,0,0|1,0,0]=3 4408 B19R2.11953 CC1CCC(CC1)N(C)c2ccccc2[N+](=O)[O-] 269982a_100000156515_200011216234 [0,2,0,0,0,0|1,0,1]=4 4409 B19R2.11953 CN(c1cccnc1C(=O)N)[C@H]2CC[C@H](CC2)O 27a_100020636401_200012359670 [0,2,0,0,0,0|2,0,0]=4 4410 B19R2.11953 CN(c1ccncc1C(=O)N)[C@H]2CC[C@H](CC2)O 27a_100020636401_100000697804 [0,2,0,0,0,0|2,0,0]=4 4411 B19R2.11953 CN(c1ncccc1C(=O)N)[C@H]2CC[C@H](CC2)O 27a_100020636401_100000162199 [0,2,0,0,0,0|2,0,0]=4 4412 B19R2.11953 CN1CCC(CC1)N(C)c2ccccc2C(=O)N 269982a_100000184419_100011215917 [0,2,0,0,0,0|2,0,0]=4 4413 B19R2.12214 C=C(C)c1cc(ccc1NC2CCC(CC2)C)F 34a_100009961556_200011216234 [0,2,0,0,0,0|2,0,0]=4 4414 B19R2.12214 CC(=O)c1cc(ccc1OC2CCC(CC2)C)Br 34a_100000212127_200011216234 [0,2,0,0,0,0|2,0,0]=4 4415 B19R2.12214 CC(=O)c1cc(ccc1OC2CCC(CC2)C)C 34a_100000195442_200011216234 [0,2,0,0,0,0|2,0,0]=4 4416 B19R2.12214 CC(=O)c1cc(ccc1OC2CCC(CC2)C)Cl 34a_100000185566_200011216234 [0,2,0,0,0,0|2,0,0]=4 4417 B19R2.12214 CC(=O)c1cc(ccc1OC2CCC(CC2)C)N 34a_100011218865_200011216234 [0,2,0,0,0,0|2,0,0]=4 4418 B19R2.12214 CC(=O)c1cc(ccc1SC2CCC(CC2)C)C 62a_100012361225_200011216234 [0,2,0,0,0,0|2,0,0]=4 4419 B19R2.12214 CC(=O)c1cc(ccc1SC2CCC(CC2)C)F 62a_100012353695_200011216234 [0,2,0,0,0,0|2,0,0]=4 4420 B19R2.12214 CC(=O)c1cc(ccc1SC2CCC(CC2)C)N 62a_100012349454_200011216234 [0,2,0,0,0,0|2,0,0]=4 4421 B19R2.12214 CC1CCC(CC1)Nc2ccc(cc2C(=O)N)Br 34a_100000740421_200011216234 [0,2,0,0,0,0|1,0,0]=3 4422 B19R2.12214 CC1CCC(CC1)Nc2ccc(cc2C(=O)N)Cl 34a_100000743835_200011216234 [0,2,0,0,0,0|1,0,0]=3 4423 B19R2.12214 CC1CCC(CC1)Nc2ccc(cc2C(=O)N)F 34a_100000741173_200011216234 [0,2,0,0,0,0|1,0,0]=3 4424 B19R2.12214 CC1CCC(CC1)Nc2ccc(cc2[N+](=O)[O-])F 34a_100000187532_200011216234 [0,2,0,0,0,0|1,0,1]=4 4425 B19R2.12214 CC1CCC(CC1)Oc2ccc(cc2C(=O)N)Br 34a_100000192807_200011216234 [0,2,0,0,0,0|2,0,0]=4 4426 B19R2.12214 CC1CCC(CC1)Oc2ccc(cc2C(=O)N)Cl 34a_100000185026_200011216234 [0,2,0,0,0,0|2,0,0]=4 4427 B19R2.12214 CC1CCC(CC1)Oc2ccc(cc2C(=O)N)F 34a_100012186459_200011216234 [0,2,0,0,0,0|2,0,0]=4 4428 B19R2.12214 CC1CCC(CC1)Oc2ccc(cc2C(=O)N)I 34a_100000192813_200011216234 [0,2,0,0,0,0|2,0,0]=4 4429 B19R2.12214 CC1CCC(CC1)Sc2ccc(cc2C(=O)N)Br 62a_200000162314_200011216234 [0,2,0,0,0,0|2,0,0]=4 4430 B19R2.12214 CC1CCC(CC1)Sc2ccc(cc2C(=O)N)F 62a_100000206434_200011216234 [0,2,0,0,0,0|2,0,0]=4 4431 B19R2.12214 CC1CCC(CC1)Sc2ccc(cc2C(=O)N)N 62a_100015186447_200011216234 [0,2,0,0,0,0|2,0,0]=4 4432 B19R2.12214 CC1CCC(CC1)Sc2ccc(cc2C(=O)O)Br 62a_100011072988_200011216234 [0,2,0,0,0,0|1,0,0]=3 4433 B19R2.12214 CN1CCC(CC1)Nc2ccc(cc2C(=O)N)Br 27a_100000198570_200000162314 [0,2,0,0,0,0|2,0,0]=4 4434 B19R2.12214 CN1CCC(CC1)Sc2ccc(cc2C(=O)O)Br 62a_100011072988_100011215917 [0,2,0,0,0,0|2,0,0]=4 4435 B19R2.12214 C[C@H]1CC[C@@H](CC1)Nc2ccc(cc2C(=O)N)Br 27a_100020625639_200000162314 [0,2,0,0,0,0|1,0,0]=3 4436 B19R2.12214 C[C@H]1CC[C@@H](CC1)Nc2ncc(cc2C(=O)N)F 27a_100020625639_100012183597 [0,2,0,0,0,0|2,0,0]=4 4437 B19R2.12214 Cc1ccc(c(c1)C(=O)N)NC2CCC(CC2)C 34a_100011692829_200011216234 [0,2,0,0,0,0|1,0,0]=3 4438 B19R2.12214 Cc1ccc(c(c1)C(=O)N)OC2CCC(CC2)C 34a_200000192840_200011216234 [0,2,0,0,0,0|2,0,0]=4 4439 B19R2.12214 Cc1ccc(c(c1)C(=O)N)SC2CCC(CC2)C 62a_200012349609_200011216234 [0,2,0,0,0,0|2,0,0]=4 4440 B19R2.12214 NC(=O)c1cc(ccc1N[C@H]2CC[C@H](CC2)O)Br 27a_100020628982_200000162314 [0,2,0,0,0,0|1,0,0]=3 4441 B19R2.12214 NC(=O)c1cc(cnc1N[C@H]2CC[C@H](CC2)O)F 27a_100020628982_100012183597 [0,2,0,0,0,0|2,0,0]=4 4442 B19R2.12219 CC(=O)c1ccc(cc1NC2CCN(CC2)C)F 27a_100000198570_100000686192 [0,2,0,0,0,0|2,0,0]=4 4443 B19R2.12219 CC(=O)c1ccc(cc1N[C@H]2CC[C@@H](CC2)C)F 27a_100020625639_100000686192 [0,2,0,0,0,0|1,0,0]=3 4444 B19R2.12219 CC(=O)c1ccc(cc1N[C@H]2CC[C@H](CC2)O)F 27a_100020628982_100000686192 [0,2,0,0,0,0|1,0,0]=3 4445 B19R2.12219 CC(=O)c1ccc(cc1OC2CCC(CC2)C)C 34a_100000234885_200011216234 [0,2,0,0,0,0|2,0,0]=4 4446 B19R2.12219 CC(=O)c1ccc(cc1OC2CCC(CC2)C)Cl 34a_100000061402_200011216234 [0,2,0,0,0,0|2,0,0]=4 4447 B19R2.12219 CC(=O)c1ccc(cc1SC2CCC(CC2)C)C 62a_100012353930_200011216234 [0,2,0,0,0,0|2,0,0]=4 4448 B19R2.12219 CC(=O)c1ccc(cc1SC2CCC(CC2)C)F 62a_100000686192_200011216234 [0,2,0,0,0,0|2,0,0]=4 4449 B19R2.12219 CC(=O)c1ccc(cc1SC2CCC(CC2)C)O 62a_100012340537_200011216234 [0,2,0,0,0,0|2,0,0]=4 4450 B19R2.12219 CC1CCC(CC1)Nc2cc(ccc2C(=O)N)Cl 34a_100000738103_200011216234 [0,2,0,0,0,0|1,0,0]=3 4451 B19R2.12219 CC1CCC(CC1)Nc2cc(ccc2C(=O)N)F 34a_100011298637_200011216234 [0,2,0,0,0,0|1,0,0]=3 4452 B19R2.12219 CC1CCC(CC1)Nc2cc(ccc2[N+](=O)[O-])F 34a_100000746377_200011216234 [0,2,0,0,0,0|1,0,1]=4 4453 B19R2.12219 CC1CCC(CC1)Oc2cc(ccc2C(=O)N)Br 34a_100011550861_200011216234 [0,2,0,0,0,0|2,0,0]=4 4454 B19R2.12219 CC1CCC(CC1)Oc2cc(ccc2C(=O)N)Cl 34a_100000192836_200011216234 [0,2,0,0,0,0|2,0,0]=4 4455 B19R2.12219 CC1CCC(CC1)Oc2cc(ccc2C(=O)N)N 34a_100000223280_200011216234 [0,2,0,0,0,0|2,0,0]=4 4456 B19R2.12219 CC1CCC(CC1)Sc2cc(ccc2C(=O)N)Br 62a_100009815748_200011216234 [0,2,0,0,0,0|2,0,0]=4 4457 B19R2.12219 CC1CCC(CC1)Sc2cc(ccc2C(=O)N)F 62a_100000206404_200011216234 [0,2,0,0,0,0|2,0,0]=4 4458 B19R2.12219 CN1CCC(CC1)Nc2cc(ccc2C(=O)N)Br 27a_100000198570_100009815748 [0,2,0,0,0,0|2,0,0]=4 4459 B19R2.12219 CN1CCC(CC1)Nc2cc(ccc2C(=O)N)F 27a_100000198570_100000206404 [0,2,0,0,0,0|2,0,0]=4 4460 B19R2.12219 C[C@H]1CC[C@@H](CC1)Nc2cc(ccc2C(=O)N)Br 27a_100020625639_100009815748 [0,2,0,0,0,0|1,0,0]=3 4461 B19R2.12219 C[C@H]1CC[C@@H](CC1)Nc2cc(ccc2C(=O)N)F 27a_100020625639_100000206404 [0,2,0,0,0,0|1,0,0]=3 4462 B19R2.12219 Cc1ccc(c(c1)NC2CCC(CC2)C)C(=O)N 34a_100011219537_200011216234 [0,2,0,0,0,0|1,0,0]=3 4463 B19R2.12219 Cc1ccc(c(c1)OC2CCC(CC2)C)C(=O)N 34a_100000192831_200011216234 [0,2,0,0,0,0|2,0,0]=4 4464 B19R2.12219 Cc1ccc(c(n1)N[C@H]2CC[C@@H](CC2)C)C(=O)N 27a_100020625639_100000041523 [0,2,0,0,0,0|2,0,0]=4 4465 B19R2.12219 Cc1ccc(c(n1)N[C@H]2CC[C@H](CC2)O)C(=O)N 27a_100020628982_100000041523 [0,2,0,0,0,0|2,0,0]=4 4466 B19R2.12219 NC(=O)c1ccc(cc1N[C@H]2CC[C@H](CC2)O)Br 27a_100020628982_100009815748 [0,2,0,0,0,0|1,0,0]=3 4467 B19R2.12219 NC(=O)c1ccc(cc1N[C@H]2CC[C@H](CC2)O)F 27a_100020628982_100000206404 [0,2,0,0,0,0|1,0,0]=3 4468 B19R2.12234 CC(=O)c1c(cccc1OC2CCC(CC2)C)Br 34a_100010174959_200011216234 [0,2,0,0,0,0|2,0,0]=4 4469 B19R2.12234 CC(=O)c1c(cccc1OC2CCC(CC2)C)C 34a_100009860897_200011216234 [0,2,0,0,0,0|2,0,0]=4 4470 B19R2.12234 CC(=O)c1c(cccc1OC2CCC(CC2)C)Cl 34a_100000730630_200011216234 [0,2,0,0,0,0|2,0,0]=4 4471 B19R2.12234 CC(=O)c1c(cccc1OC2CCC(CC2)C)F 34a_100011216272_200011216234 [0,2,0,0,0,0|2,0,0]=4 4472 B19R2.12234 CC(=O)c1c(cccc1SC2CCC(CC2)C)F 62a_100012351873_200011216234 [0,2,0,0,0,0|2,0,0]=4 4473 B19R2.12234 CC1CCC(CC1)Nc2cccc(c2C(=O)N)Cl 34a_100000764435_200011216234 [0,2,0,0,0,0|1,0,0]=3 4474 B19R2.12234 CC1CCC(CC1)Nc2cccc(c2C(=O)N)F 34a_100000036109_200011216234 [0,2,0,0,0,0|1,0,0]=3 4475 B19R2.12234 CC1CCC(CC1)Nc2cccc(c2[N+](=O)[O-])F 34a_100011219493_200011216234 [0,2,0,0,0,0|1,0,1]=4 4476 B19R2.12234 CC1CCC(CC1)Oc2cccc(c2C(=O)N)F 34a_100000701607_200011216234 [0,2,0,0,0,0|2,0,0]=4 4477 B19R2.12234 CC1CCC(CC1)Sc2cccc(c2C(=O)N)Cl 62a_100010147686_200011216234 [0,2,0,0,0,0|2,0,0]=4 4478 B19R2.12234 CC1CCC(CC1)Sc2cccc(c2C(=O)N)F 62a_100011219063_200011216234 [0,2,0,0,0,0|2,0,0]=4 4479 B19R2.12234 CN1CCC(CC1)Nc2cccc(c2C(=O)N)F 27a_100000198570_100011219063 [0,2,0,0,0,0|2,0,0]=4 4480 B19R2.12234 C[C@H]1CC[C@@H](CC1)Nc2cccc(c2C(=O)N)F 27a_100020625639_100011219063 [0,2,0,0,0,0|1,0,0]=3 4481 B19R2.12234 Cc1cccc(c1C(=O)N)NC2CCC(CC2)C 34a_100102558177_200011216234 [0,2,0,0,0,0|1,0,0]=3 4482 B19R2.12234 Cc1cccc(c1[N+](=O)[O-])NC2CCC(CC2)C 34a_100011424894_200011216234 [0,2,0,0,0,0|1,0,1]=4 4483 B19R2.12234 NC(=O)c1c(cccc1N[C@H]2CC[C@H](CC2)O)F 27a_100020628982_100011219063 [0,2,0,0,0,0|1,0,0]=3 4484 B19R2.12428 CC(=NO)c1ccccc1OC2CCC(CC2)C 34a_100000164216_200011216234 [0,2,0,0,0,0|2,0,0]=4 4485 B19R2.12428 CC1CCC(CC1)Oc2ccccc2C(=O)NN 34a_100000186518_200011216234 [0,2,0,0,0,0|2,0,0]=4 4486 B19R2.12428 CC1CCC(CC1)Oc2ccccc2C(=O)NO 34a_100000188472_200011216234 [0,2,0,0,0,0|1,0,0]=3 4487 B19R2.12428 CC1CCC(CC1)Sc2ccccc2C(=O)NN 62a_100000190081_200011216234 [0,2,0,0,0,0|2,0,0]=4 4488 B19R2.12428 CNC(=O)c1ccccc1NC2CCC(CC2)C 34a_100000185696_200011216234 [0,2,0,0,0,0|1,0,0]=3 4489 B19R2.12428 CNC(=O)c1ccccc1NC2CCN(CC2)C 27a_100000198570_100000155073 [0,2,0,0,0,0|2,0,0]=4 4490 B19R2.12428 CNC(=O)c1ccccc1N[C@H]2CC[C@@H](CC2)C 27a_100020625639_100000155073 [0,2,0,0,0,0|1,0,0]=3 4491 B19R2.12428 CNC(=O)c1ccccc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000155073 [0,2,0,0,0,0|1,0,0]=3 4492 B19R2.12428 CNC(=O)c1ccccc1OC2CCC(CC2)C 34a_100000185920_200011216234 [0,2,0,0,0,0|2,0,0]=4 4493 B19R2.12428 CNC(=O)c1ccccc1SC2CCC(CC2)C 62a_100000155073_200011216234 [0,2,0,0,0,0|2,0,0]=4 4494 B19R2.12428 CNC(=O)c1cccnc1N[C@H]2CC[C@@H](CC2)C 27a_100020625639_100000159833 [0,2,0,0,0,0|2,0,0]=4 4495 B19R2.12428 CNC(=O)c1cccnc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000159833 [0,2,0,0,0,0|2,0,0]=4 4496 B19R2.12428 COC(=O)c1ccccc1CN2CCC(CC2)C 2230a_100000188429_100000744672 [0,2,0,0,0,0|2,0,0]=4 4497 B19R2.12428 COC(=O)c1ccccc1CN2CCC(CC2)C 269982a_100000188429_100000744672 [0,2,0,0,0,0|2,0,0]=4 4498 B19R2.12428 COC(=O)c1ccccc1CN2CCC(CC2)C 34a_100000188429_100000744672 [0,2,0,0,0,0|2,0,0]=4 4499 B19R2.12428 COC(=O)c1ccccc1CN2CCC(CC2)F 2230a_100015193889_100000744672 [0,2,0,0,0,0|2,0,0]=4 4500 B19R2.12428 COC(=O)c1ccccc1CN2CCC(CC2)F 269982a_100015193889_100000744672 [0,2,0,0,0,0|2,0,0]=4 4501 B19R2.12428 COC(=O)c1ccccc1CN2CCC(CC2)F 34a_100015193889_100000744672 [0,2,0,0,0,0|2,0,0]=4 4502 B19R2.12428 COC(=O)c1ccccc1CN2CCC(CC2)O 2230a_100025773856_100000744672 [0,2,0,0,0,0|2,0,0]=4 4503 B19R2.12428 COC(=O)c1ccccc1CN2CCC(CC2)O 269982a_100025773856_100000744672 [0,2,0,0,0,0|2,0,0]=4 4504 B19R2.12428 COC(=O)c1ccccc1SC2CCC(CC2)C 62a_100000148710_200011216234 [0,2,0,0,0,0|1,0,0]=3 4505 B19R2.12428 COC(=O)c1ccccc1SC2CCN(CC2)C 62a_100000148710_100011215917 [0,2,0,0,0,0|2,0,0]=4 4506 B19R2.12428 COC(=O)c1cccnc1NC2CCN(CC2)C 27a_100000198570_100000150852 [0,2,0,0,0,0|2,0,0]=4 4507 B19R2.12428 COC(=O)c1cccnc1N[C@H]2CC[C@@H](CC2)C 27a_100020625639_100000150852 [0,2,0,0,0,0|1,0,0]=3 4508 B19R2.12428 COC(=O)c1cccnc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000150852 [0,2,0,0,0,0|1,0,0]=3 4509 B19R2.12428 COC(=O)c1cccnc1SC2CCC(CC2)C 62a_100011587185_200011216234 [0,2,0,0,0,0|2,0,0]=4 4510 B19R2.12428 COC(=O)c1ccncc1SC2CCC(CC2)C 62a_100010008606_200011216234 [0,2,0,0,0,0|2,0,0]=4 4511 B19R2.12428 COC(=O)c1cnccc1SC2CCC(CC2)C 62a_100020629055_200011216234 [0,2,0,0,0,0|2,0,0]=4 4512 B19R2.12428 COC(=O)c1cncnc1N[C@H]2CC[C@@H](CC2)C 27a_100020625639_100000726419 [0,2,0,0,0,0|2,0,0]=4 4513 B19R2.12428 COC(=O)c1cncnc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000726419 [0,2,0,0,0,0|2,0,0]=4 4514 B19R2.12428 COC(=O)c1ncccc1OC2CCC(CC2)C 34a_100000744052_200011216234 [0,2,0,0,0,0|2,0,0]=4 4515 B19R2.12428 COC(=O)c1ncccc1SC2CCC(CC2)C 62a_100011935214_200011216234 [0,2,0,0,0,0|2,0,0]=4 4516 B19R2.12428 COC(=O)c1nccnc1N[C@H]2CC[C@@H](CC2)C 27a_100020625639_100000079898 [0,2,0,0,0,0|2,0,0]=4 4517 B19R2.12428 COC(=O)c1nccnc1N[C@H]2CC[C@H](CC2)O 27a_100020628982_100000079898 [0,2,0,0,0,0|2,0,0]=4 4518 B19R2.45728 CC(=O)c1cccc(c1OC2CCC(CC2)C)C 34a_100009847209_200011216234 [0,2,0,0,0,0|2,0,0]=4 4519 B19R2.45728 CC(=O)c1cccc(c1OC2CCC(CC2)C)Cl 34a_100000043392_200011216234 [0,2,0,0,0,0|2,0,0]=4 4520 B19R2.45728 CC(=O)c1cccc(c1OC2CCC(CC2)C)F 34a_100011246037_200011216234 [0,2,0,0,0,0|2,0,0]=4 4521 B19R2.45728 CC(=O)c1cccc(c1SC2CCC(CC2)C)F 62a_100012362612_200011216234 [0,2,0,0,0,0|2,0,0]=4 4522 B19R2.45728 CC1CCC(CC1)Nc2c(cccc2C(=O)N)Cl 34a_200011997947_200011216234 [0,2,0,0,0,0|1,0,0]=3 4523 B19R2.45728 CC1CCC(CC1)Nc2c(cccc2C(=O)N)F 34a_100011722151_200011216234 [0,2,0,0,0,0|1,0,0]=3 4524 B19R2.45728 CC1CCC(CC1)Nc2c(cccc2[N+](=O)[O-])F 34a_100000687224_200011216234 [0,2,0,0,0,0|1,0,1]=4 4525 B19R2.45728 CC1CCC(CC1)Oc2c(cccc2C(=O)N)Cl 34a_100009868166_200011216234 [0,2,0,0,0,0|2,0,0]=4 4526 B19R2.45728 CC1CCC(CC1)Oc2c(cccc2C(=O)N)F 34a_100009886295_200011216234 [0,2,0,0,0,0|2,0,0]=4 4527 B19R2.45728 CC1CCC(CC1)Sc2c(cccc2C(=O)N)F 62a_200012351544_200011216234 [0,2,0,0,0,0|2,0,0]=4 4528 B19R2.45728 Cc1cccc(c1NC2CCC(CC2)C)C(=O)N 34a_100000223273_200011216234 [0,2,0,0,0,0|1,0,0]=3 4529 B19R2.45728 Cc1cccc(c1SC2CCC(CC2)C)C(=O)N 62a_200011409216_200011216234 [0,2,0,0,0,0|2,0,0]=4 4530 B19R2.112878 C=C(C)c1ccccc1NC2CCC(CC2)(F)F 34a_100000037685_100009865109 [0,2,0,0,0,0|2,0,0]=4 4531 B19R2.112878 CC(=O)c1ccccc1SC2CCC(CC2)(F)F 62a_100000751169_100009865109 [0,2,0,0,0,0|2,0,0]=4 4532 B19R2.112878 CC(=O)c1cccnc1NC2CCC(CC2)(C)C 27a_100000757809_100009816689 [0,2,0,0,0,0|2,0,0]=4 4533 B19R2.112878 CC(=O)c1cccnc1NC2CCC(CC2)(F)F 27a_100000694335_100009816689 [0,2,0,0,0,0|2,0,0]=4 4534 B19R2.112878 CC(=O)c1cccnc1N[C@H]2CC[C@](CC2)(C)O 27a_202125554758_100009816689 [0,2,0,0,0,0|2,0,0]=4 4535 B19R2.112878 CC(=O)c1cnccc1NC2CCC(CC2)(C)C 27a_100000757809_100160469449 [0,2,0,0,0,0|2,0,0]=4 4536 B19R2.112878 CC(=O)c1cnccc1NC2CCC(CC2)(F)F 27a_100000694335_100160469449 [0,2,0,0,0,0|2,0,0]=4 4537 B19R2.112878 CC(=O)c1cnccc1N[C@H]2CC[C@](CC2)(C)O 27a_202125554758_100160469449 [0,2,0,0,0,0|2,0,0]=4 4538 B19R2.112878 CC1(CCC(CC1)Nc2cccnc2C(=O)N)C 27a_100000757809_200012359670 [0,2,0,0,0,0|2,0,0]=4 4539 B19R2.112878 CC1(CCC(CC1)Nc2ccncc2C(=O)N)C 27a_100000757809_100000697804 [0,2,0,0,0,0|2,0,0]=4 4540 B19R2.112878 CC1(CCC(CC1)Nc2ncccc2C(=O)N)C 27a_100000757809_100000162199 [0,2,0,0,0,0|2,0,0]=4 4541 B19R2.112878 C[C@@]1(CC[C@@H](CC1)Nc2cccnc2C(=O)N)O 27a_202125554758_200012359670 [0,2,0,0,0,0|2,0,0]=4 4542 B19R2.112878 C[C@@]1(CC[C@@H](CC1)Nc2ccncc2C(=O)N)O 27a_202125554758_100000697804 [0,2,0,0,0,0|2,0,0]=4 4543 B19R2.112878 C[C@@]1(CC[C@@H](CC1)Nc2ncccc2C(=O)N)O 27a_202125554758_100000162199 [0,2,0,0,0,0|2,0,0]=4 4544 B19R2.112878 NC(=O)c1ccccc1NC2CCC(CC2)(F)F 34a_100000185089_100009865109 [0,2,0,0,0,0|1,0,0]=3 4545 B19R2.112878 NC(=O)c1ccccc1OC2CCC(CC2)(F)F 34a_100000192804_100009865109 [0,2,0,0,0,0|2,0,0]=4 4546 B19R2.112878 NC(=O)c1ccccc1OC2CCC(CC2)(F)F 7a_100000192804_100009865109 [0,2,0,0,0,0|2,0,0]=4 4547 B19R2.112878 NC(=O)c1ccccc1SC2CCC(CC2)(F)F 62a_100000162227_100009865109 [0,2,0,0,0,0|2,0,0]=4 4548 B19R2.112878 NC(=O)c1ccccc1SC2CCC(CC2)(F)F 62a_100009865109_100000162227 [0,2,0,0,0,0|2,0,0]=4 4549 B19R2.112878 NC(=O)c1cccnc1NC2CCC(CC2)(F)F 27a_100000694335_100000162199 [0,2,0,0,0,0|2,0,0]=4 4550 B19R2.112878 NC(=O)c1cnccc1NC2CCC(CC2)(F)F 27a_100000694335_100000697804 [0,2,0,0,0,0|2,0,0]=4 4551 B19R2.112878 NC(=O)c1ncccc1NC2CCC(CC2)(F)F 27a_100000694335_200012359670 [0,2,0,0,0,0|2,0,0]=4 4552 B19R2.112878 O=C(O)c1ccccc1SC2CCC(CC2)(F)F 62a_100009865109_100000734275 [0,2,0,0,0,0|1,0,0]=3 4553 B19R2.112878 O=C(O)c1ccccc1SC2CCC(CC2)(F)F 62a_202125556159_100009865109 [0,2,0,0,0,0|1,0,0]=3 4554 B19R2.112878 O=C([O-])c1ccccc1OC2CCC(CC2)(F)F 7a_100015234032_100009865109 [0,2,0,0,0,0|1,0,1]=4 4555 B19R2.4430 CC(=O)c1cccnc1NC2CCCC(C2C)C 27a_100000211273_100009816689 [0,2,0,0,0,0|2,0,0]=4 4556 B19R2.4430 CC(=O)c1cnccc1NC2CCCC(C2C)C 27a_100000211273_100160469449 [0,2,0,0,0,0|2,0,0]=4 4557 B19R2.4430 CC1CCCC(C1C)Nc2cccnc2C(=O)N 27a_100000211273_200012359670 [0,2,0,0,0,0|2,0,0]=4 4558 B19R2.4430 CC1CCCC(C1C)Nc2ccncc2C(=O)N 27a_100000211273_100000697804 [0,2,0,0,0,0|2,0,0]=4 4559 B19R2.4430 CC1CCCC(C1C)Nc2ncccc2C(=O)N 27a_100000211273_100000162199 [0,2,0,0,0,0|2,0,0]=4 4560 B19R2.12752 CNC(=O)c1ccccc1NC2CCCC(C2)C 27a_100011194320_100000155073 [0,2,0,0,0,0|1,0,0]=3 4561 B19R2.12752 CNC(=O)c1ccccc1NC2CCCC(C2)O 27a_100015190357_100000155073 [0,2,0,0,0,0|1,0,0]=3 4562 B19R2.12752 CNC(=O)c1ccccc1N[C@H]2CCCN(C2)C 27a_100016992120_100000155073 [0,2,0,0,0,0|2,0,0]=4 4563 B19R2.12752 CNC(=O)c1cccnc1NC2CCCC(C2)C 27a_100011194320_100000159833 [0,2,0,0,0,0|2,0,0]=4 4564 B19R2.12752 CNC(=O)c1cccnc1NC2CCCC(C2)O 27a_100015190357_100000159833 [0,2,0,0,0,0|2,0,0]=4 4565 B19R2.12752 COC(=O)c1ccccc1CN2CCCC(C2)F 2230a_100000697950_100000744672 [0,2,0,0,0,0|2,0,0]=4 4566 B19R2.12752 COC(=O)c1ccccc1CN2CCCC(C2)F 269982a_100000697950_100000744672 [0,2,0,0,0,0|2,0,0]=4 4567 B19R2.12752 COC(=O)c1ccccc1CN2CCCC(C2)F 34a_100000697950_100000744672 [0,2,0,0,0,0|2,0,0]=4 4568 B19R2.12752 COC(=O)c1ccccc1CN2CCCC(C2)O 2230a_100000211013_100000744672 [0,2,0,0,0,0|2,0,0]=4 4569 B19R2.12752 COC(=O)c1ccccc1CN2CCCC(C2)O 269982a_100000211013_100000744672 [0,2,0,0,0,0|2,0,0]=4 4570 B19R2.12752 COC(=O)c1ccccc1CN2CCC[C@@H](C2)C 2230a_100000717927_100000744672 [0,2,0,0,0,0|2,0,0]=4 4571 B19R2.12752 COC(=O)c1ccccc1CN2CCC[C@@H](C2)C 269982a_100000717927_100000744672 [0,2,0,0,0,0|2,0,0]=4 4572 B19R2.12752 COC(=O)c1ccccc1CN2CCC[C@@H](C2)C 34a_100000717927_100000744672 [0,2,0,0,0,0|2,0,0]=4 4573 B19R2.12752 COC(=O)c1cccnc1NC2CCCC(C2)C 27a_100011194320_100000150852 [0,2,0,0,0,0|1,0,0]=3 4574 B19R2.12752 COC(=O)c1cccnc1NC2CCCC(C2)O 27a_100015190357_100000150852 [0,2,0,0,0,0|1,0,0]=3 4575 B19R2.12752 COC(=O)c1cccnc1N[C@H]2CCCN(C2)C 27a_100016992120_100000150852 [0,2,0,0,0,0|2,0,0]=4 4576 B19R2.12752 COC(=O)c1cncnc1NC2CCCC(C2)C 27a_100011194320_100000726419 [0,2,0,0,0,0|2,0,0]=4 4577 B19R2.12752 COC(=O)c1cncnc1NC2CCCC(C2)O 27a_100015190357_100000726419 [0,2,0,0,0,0|2,0,0]=4 4578 B19R2.12752 COC(=O)c1nccnc1NC2CCCC(C2)C 27a_100011194320_100000079898 [0,2,0,0,0,0|2,0,0]=4 4579 B19R2.12752 COC(=O)c1nccnc1NC2CCCC(C2)O 27a_100015190357_100000079898 [0,2,0,0,0,0|2,0,0]=4 4580 B19R2.101510 CC1CCCC(C1)Nc2ccc(cc2C(=O)N)Br 27a_100011194320_200000162314 [0,2,0,0,0,0|1,0,0]=3 4581 B19R2.101510 CC1CCCC(C1)Nc2ncc(cc2C(=O)N)F 27a_100011194320_100012183597 [0,2,0,0,0,0|2,0,0]=4 4582 B19R2.101510 CN1CCC[C@@H](C1)Nc2ccc(cc2C(=O)N)Br 27a_100016992120_200000162314 [0,2,0,0,0,0|2,0,0]=4 4583 B19R2.101510 NC(=O)c1cc(ccc1NC2CCCC(C2)O)Br 27a_100015190357_200000162314 [0,2,0,0,0,0|1,0,0]=3 4584 B19R2.101510 NC(=O)c1cc(cnc1NC2CCCC(C2)O)F 27a_100015190357_100012183597 [0,2,0,0,0,0|2,0,0]=4 4585 B19R2.101514 CC(=O)c1ccc(cc1NC2CCCC(C2)C)F 27a_100011194320_100000686192 [0,2,0,0,0,0|1,0,0]=3 4586 B19R2.101514 CC(=O)c1ccc(cc1NC2CCCC(C2)O)F 27a_100015190357_100000686192 [0,2,0,0,0,0|1,0,0]=3 4587 B19R2.101514 CC(=O)c1ccc(cc1N[C@H]2CCCN(C2)C)F 27a_100016992120_100000686192 [0,2,0,0,0,0|2,0,0]=4 4588 B19R2.101514 CC1CCCC(C1)Nc2cc(ccc2C(=O)N)Br 27a_100011194320_100009815748 [0,2,0,0,0,0|1,0,0]=3 4589 B19R2.101514 CC1CCCC(C1)Nc2cc(ccc2C(=O)N)F 27a_100011194320_100000206404 [0,2,0,0,0,0|1,0,0]=3 4590 B19R2.101514 CN1CCC[C@@H](C1)Nc2cc(ccc2C(=O)N)Br 27a_100016992120_100009815748 [0,2,0,0,0,0|2,0,0]=4 4591 B19R2.101514 CN1CCC[C@@H](C1)Nc2cc(ccc2C(=O)N)F 27a_100016992120_100000206404 [0,2,0,0,0,0|2,0,0]=4 4592 B19R2.101514 Cc1ccc(c(n1)NC2CCCC(C2)C)C(=O)N 27a_100011194320_100000041523 [0,2,0,0,0,0|2,0,0]=4 4593 B19R2.101514 Cc1ccc(c(n1)NC2CCCC(C2)O)C(=O)N 27a_100015190357_100000041523 [0,2,0,0,0,0|2,0,0]=4 4594 B19R2.101514 NC(=O)c1ccc(cc1NC2CCCC(C2)O)Br 27a_100015190357_100009815748 [0,2,0,0,0,0|1,0,0]=3 4595 B19R2.101514 NC(=O)c1ccc(cc1NC2CCCC(C2)O)F 27a_100015190357_100000206404 [0,2,0,0,0,0|1,0,0]=3 4596 B19R2.101527 CC1CCCC(C1)Nc2cccc(c2C(=O)N)F 27a_100011194320_100011219063 [0,2,0,0,0,0|1,0,0]=3 4597 B19R2.101527 CN1CCC[C@@H](C1)Nc2cccc(c2C(=O)N)F 27a_100016992120_100011219063 [0,2,0,0,0,0|2,0,0]=4 4598 B19R2.101527 NC(=O)c1c(cccc1NC2CCCC(C2)O)F 27a_100015190357_100011219063 [0,2,0,0,0,0|1,0,0]=3 4599 B19R2.112881 CC1(CC(CCO1)Nc2ccccc2C(=O)N)C 34a_100000185089_100010191092 [0,2,0,0,0,0|2,0,0]=4 4600 B19R2.112881 CC1(CC(CCO1)Sc2ccccc2C(=O)O)C 62a_100010191092_100000734275 [0,2,0,0,0,0|2,0,0]=4 4601 B19R2.112881 CC1(CC(CCO1)Sc2ccccc2C(=O)O)C 62a_202125556159_100010191092 [0,2,0,0,0,0|2,0,0]=4 4602 B19R2.3535 COc1ccc(c(c1)OC2CCCCC2)C(=O)C 34a_100000185565_100000210327 [0,2,0,0,0,0|2,0,0]=4 4603 B19R2.3535 COc1ccc(c(c1)OC2CCCCC2)C(=O)C 7a_100000185565_100000210327 [0,2,0,0,0,0|2,0,0]=4 4604 B19R2.3535 COc1ccc(c(c1)OC2CCCCC2)C(=O)N 34a_100000185031_100000210327 [0,2,0,0,0,0|2,0,0]=4 4605 B19R2.3535 COc1ccc(c(c1)OC2CCCCC2)C(=O)N 7a_100000185031_100000210327 [0,2,0,0,0,0|2,0,0]=4 4606 B19R2.3535 COc1ccc(c(c1)SC2CCCCC2)C(=O)C 62a_100000697255_100000210327 [0,2,0,0,0,0|2,0,0]=4 4607 B19R2.3535 COc1ccc(c(c1)SC2CCCCC2)C(=O)N 62a_200009815664_100000210327 [0,2,0,0,0,0|2,0,0]=4 4608 B19R2.3535 N#Cc1ccc(c(c1)NC2CCCCC2)[N+](=O)[O-] 7a_200012185224_100000210327 [0,2,0,0,0,0|1,0,1]=4 4609 B19R2.4554 CS(=O)(=O)c1ccc(cc1NC2CCCCC2)Cl 34a_102495366493_100000210327 [0,2,0,0,0,0|1,0,1]=4 4610 B19R2.4554 CS(=O)(=O)c1ccc(cc1NC2CCCCC2)Cl 7a_102495366493_100000210327 [0,2,0,0,0,0|1,0,1]=4 4611 B19R2.4554 CS(=O)(=O)c1ccc(cc1NC2CCCCC2)F 27a_100000182618_100010175559 [0,2,0,0,0,0|1,0,1]=4 4612 B19R2.4554 Cc1ccc(c(c1)NC2CCCCC2)S(=O)(=O)C 34a_100000743561_100000210327 [0,2,0,0,0,0|1,0,1]=4 4613 B19R2.4554 Cc1ccc(c(c1)NC2CCCCC2)S(=O)(=O)C 7a_100000743561_100000210327 [0,2,0,0,0,0|1,0,1]=4 4614 B19R2.4554 NS(=O)(=O)c1ccc(cc1NC2CCCCC2)F 27a_100000182618_100011218482 [0,2,0,0,0,0|1,0,1]=4 4615 B19R2.4558 CC(=O)c1ccc(cc1NC2CCCCC2C)F 27a_100000211402_100000686192 [0,2,0,0,0,0|1,0,0]=3 4616 B19R2.4558 CC(=O)c1ccc(cc1N[C@@H]2CCCC[C@@H]2O)F 27a_100015191688_100000686192 [0,2,0,0,0,0|1,0,0]=3 4617 B19R2.4558 CC(=O)c1ccc(cc1N[C@@H]2CCCC[C@H]2F)F 27a_100015195156_100000686192 [0,2,0,0,0,0|1,0,0]=3 4618 B19R2.4558 CC(=O)c1ccc(cc1N[C@@H]2CCOC[C@@H]2O)F 27a_100016994285_100000686192 [0,2,0,0,0,0|2,0,0]=4 4619 B19R2.4558 CC(=O)c1ccc(cc1N[C@H]2CCOC[C@@H]2F)F 27a_100016994078_100000686192 [0,2,0,0,0,0|2,0,0]=4 4620 B19R2.4558 CC(=O)c1ccc(cc1N[C@H]2COCC[C@@H]2O)F 27a_100015739063_100000686192 [0,2,0,0,0,0|2,0,0]=4 4621 B19R2.4558 CC(=O)c1ccc(cc1OC2CCCCC2F)C 34a_100000234885_100015423560 [0,2,0,0,0,0|2,0,0]=4 4622 B19R2.4558 CC(=O)c1ccc(cc1OC2CCCCC2F)Cl 34a_100000061402_100015423560 [0,2,0,0,0,0|2,0,0]=4 4623 B19R2.4558 CC(=O)c1ccc(cc1OC2CCCCC2O)C 34a_100000234885_100000038908 [0,2,0,0,0,0|2,0,0]=4 4624 B19R2.4558 CC(=O)c1ccc(cc1OC2CCCCC2O)Cl 34a_100000061402_100000038908 [0,2,0,0,0,0|2,0,0]=4 4625 B19R2.4558 CC(=O)c1ccc(cc1SC2CCCCC2F)C 62a_100012353930_100015423560 [0,2,0,0,0,0|2,0,0]=4 4626 B19R2.4558 CC(=O)c1ccc(cc1SC2CCCCC2F)C 62a_100015423560_100012353930 [0,2,0,0,0,0|2,0,0]=4 4627 B19R2.4558 CC(=O)c1ccc(cc1SC2CCCCC2F)F 62a_100000686192_100015423560 [0,2,0,0,0,0|2,0,0]=4 4628 B19R2.4558 CC(=O)c1ccc(cc1SC2CCCCC2F)O 62a_100012340537_100015423560 [0,2,0,0,0,0|2,0,0]=4 4629 B19R2.4558 CC(=O)c1ccc(cc1SC2CCCCC2O)C 62a_100000038908_100012353930 [0,2,0,0,0,0|2,0,0]=4 4630 B19R2.4558 CC(=O)c1ccc(cc1SC2CCCCC2O)C 62a_100012353930_100000038908 [0,2,0,0,0,0|2,0,0]=4 4631 B19R2.4558 CC(=O)c1ccc(cc1SC2CCCCC2O)F 62a_100000686192_100000038908 [0,2,0,0,0,0|2,0,0]=4 4632 B19R2.4558 CC(=O)c1ccc(cc1SC2CCCCC2O)O 62a_100012340537_100000038908 [0,2,0,0,0,0|2,0,0]=4 4633 B19R2.4558 CC1CCCCC1Nc2cc(ccc2C(=O)N)Br 27a_100000211402_100009815748 [0,2,0,0,0,0|1,0,0]=3 4634 B19R2.4558 CC1CCCCC1Nc2cc(ccc2C(=O)N)F 27a_100000211402_100000206404 [0,2,0,0,0,0|1,0,0]=3 4635 B19R2.4558 Cc1ccc(c(c1)NC2CCCCC2=O)C(=O)N 34a_100011219537_100000754470 [0,2,0,0,0,0|1,0,1]=4 4636 B19R2.4558 Cc1ccc(c(c1)NC2CCCCC2=O)C(=O)N 7a_100011219537_100000204591 [0,2,0,0,0,0|1,0,1]=4 4637 B19R2.4558 Cc1ccc(c(c1)NC2CCCCC2F)C(=O)N 34a_100011219537_100015423560 [0,2,0,0,0,0|1,0,0]=3 4638 B19R2.4558 Cc1ccc(c(c1)NC2CCCCC2O)C(=O)N 34a_100011219537_100000038908 [0,2,0,0,0,0|1,0,0]=3 4639 B19R2.4558 Cc1ccc(c(c1)OC2CCCCC2F)C(=O)N 34a_100000192831_100015423560 [0,2,0,0,0,0|2,0,0]=4 4640 B19R2.4558 Cc1ccc(c(c1)OC2CCCCC2O)C(=O)N 34a_100000192831_100000038908 [0,2,0,0,0,0|2,0,0]=4 4641 B19R2.4558 Cc1ccc(c(n1)NC2CCCCC2C)C(=O)N 27a_100000211402_100000041523 [0,2,0,0,0,0|2,0,0]=4 4642 B19R2.4558 Cc1ccc(c(n1)N[C@@H]2CCCC[C@@H]2O)C(=O)N 27a_100015191688_100000041523 [0,2,0,0,0,0|2,0,0]=4 4643 B19R2.4558 Cc1ccc(c(n1)N[C@@H]2CCCC[C@H]2F)C(=O)N 27a_100015195156_100000041523 [0,2,0,0,0,0|2,0,0]=4 4644 B19R2.4558 NC(=O)c1ccc(cc1NC2CCCCC2=O)Br 7a_100012349972_100000204591 [0,2,0,0,0,0|1,0,1]=4 4645 B19R2.4558 NC(=O)c1ccc(cc1NC2CCCCC2=O)Cl 34a_100000738103_100000754470 [0,2,0,0,0,0|1,0,1]=4 4646 B19R2.4558 NC(=O)c1ccc(cc1NC2CCCCC2=O)Cl 7a_100000738103_100000204591 [0,2,0,0,0,0|1,0,1]=4 4647 B19R2.4558 NC(=O)c1ccc(cc1NC2CCCCC2=O)F 34a_100011298637_100000754470 [0,2,0,0,0,0|1,0,1]=4 4648 B19R2.4558 NC(=O)c1ccc(cc1NC2CCCCC2F)Cl 34a_100000738103_100015423560 [0,2,0,0,0,0|1,0,0]=3 4649 B19R2.4558 NC(=O)c1ccc(cc1NC2CCCCC2F)F 34a_100011298637_100015423560 [0,2,0,0,0,0|1,0,0]=3 4650 B19R2.4558 NC(=O)c1ccc(cc1NC2CCCCC2O)Cl 34a_100000738103_100000038908 [0,2,0,0,0,0|1,0,0]=3 4651 B19R2.4558 NC(=O)c1ccc(cc1NC2CCCCC2O)F 34a_100011298637_100000038908 [0,2,0,0,0,0|1,0,0]=3 4652 B19R2.4558 NC(=O)c1ccc(cc1N[C@@H]2CCCC[C@@H]2O)Br 27a_100015191688_100009815748 [0,2,0,0,0,0|1,0,0]=3 4653 B19R2.4558 NC(=O)c1ccc(cc1N[C@@H]2CCCC[C@@H]2O)F 27a_100015191688_100000206404 [0,2,0,0,0,0|1,0,0]=3 4654 B19R2.4558 NC(=O)c1ccc(cc1N[C@@H]2CCCC[C@H]2F)Br 27a_100015195156_100009815748 [0,2,0,0,0,0|1,0,0]=3 4655 B19R2.4558 NC(=O)c1ccc(cc1N[C@@H]2CCCC[C@H]2F)F 27a_100015195156_100000206404 [0,2,0,0,0,0|1,0,0]=3 4656 B19R2.4558 NC(=O)c1ccc(cc1N[C@@H]2CCOC[C@@H]2O)Br 27a_100016994285_100009815748 [0,2,0,0,0,0|2,0,0]=4 4657 B19R2.4558 NC(=O)c1ccc(cc1N[C@@H]2CCOC[C@@H]2O)F 27a_100016994285_100000206404 [0,2,0,0,0,0|2,0,0]=4 4658 B19R2.4558 NC(=O)c1ccc(cc1N[C@H]2CCOC[C@@H]2F)Br 27a_100016994078_100009815748 [0,2,0,0,0,0|2,0,0]=4 4659 B19R2.4558 NC(=O)c1ccc(cc1N[C@H]2CCOC[C@@H]2F)F 27a_100016994078_100000206404 [0,2,0,0,0,0|2,0,0]=4 4660 B19R2.4558 NC(=O)c1ccc(cc1N[C@H]2COCC[C@@H]2O)Br 27a_100015739063_100009815748 [0,2,0,0,0,0|2,0,0]=4 4661 B19R2.4558 NC(=O)c1ccc(cc1N[C@H]2COCC[C@@H]2O)F 27a_100015739063_100000206404 [0,2,0,0,0,0|2,0,0]=4 4662 B19R2.4558 NC(=O)c1ccc(cc1OC2CCCCC2F)Br 34a_100011550861_100015423560 [0,2,0,0,0,0|2,0,0]=4 4663 B19R2.4558 NC(=O)c1ccc(cc1OC2CCCCC2F)Cl 34a_100000192836_100015423560 [0,2,0,0,0,0|2,0,0]=4 4664 B19R2.4558 NC(=O)c1ccc(cc1OC2CCCCC2F)N 34a_100000223280_100015423560 [0,2,0,0,0,0|2,0,0]=4 4665 B19R2.4558 NC(=O)c1ccc(cc1OC2CCCCC2O)Br 34a_100011550861_100000038908 [0,2,0,0,0,0|2,0,0]=4 4666 B19R2.4558 NC(=O)c1ccc(cc1OC2CCCCC2O)Cl 34a_100000192836_100000038908 [0,2,0,0,0,0|2,0,0]=4 4667 B19R2.4558 NC(=O)c1ccc(cc1OC2CCCCC2O)N 34a_100000223280_100000038908 [0,2,0,0,0,0|2,0,0]=4 4668 B19R2.4558 NC(=O)c1ccc(cc1SC2CCCCC2F)Br 62a_100009815748_100015423560 [0,2,0,0,0,0|2,0,0]=4 4669 B19R2.4558 NC(=O)c1ccc(cc1SC2CCCCC2F)F 62a_100000206404_100015423560 [0,2,0,0,0,0|2,0,0]=4 4670 B19R2.4558 NC(=O)c1ccc(cc1SC2CCCCC2F)F 62a_100015423560_100000206404 [0,2,0,0,0,0|2,0,0]=4 4671 B19R2.4558 NC(=O)c1ccc(cc1SC2CCCCC2O)Br 62a_100009815748_100000038908 [0,2,0,0,0,0|2,0,0]=4 4672 B19R2.4558 NC(=O)c1ccc(cc1SC2CCCCC2O)F 62a_100000038908_100000206404 [0,2,0,0,0,0|2,0,0]=4 4673 B19R2.4558 NC(=O)c1ccc(cc1SC2CCCCC2O)F 62a_100000206404_100000038908 [0,2,0,0,0,0|2,0,0]=4 4674 B19R2.4558 O=[N+]([O-])c1ccc(cc1NC2CCCCC2F)F 34a_100000746377_100015423560 [0,2,0,0,0,0|1,0,1]=4 4675 B19R2.4558 O=[N+]([O-])c1ccc(cc1NC2CCCCC2O)F 34a_100000746377_100000038908 [0,2,0,0,0,0|1,0,1]=4 4676 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)Br)C 34a_100009816031_100000210327 [0,2,0,0,0,0|2,0,0]=4 4677 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)Br)C 7a_100009816031_100000210327 [0,2,0,0,0,0|2,0,0]=4 4678 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)Br)F 34a_200010245088_100000210327 [0,2,0,0,0,0|2,0,0]=4 4679 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)Br)F 7a_200010245088_100000210327 [0,2,0,0,0,0|2,0,0]=4 4680 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)C)Br 34a_200010233951_100000210327 [0,2,0,0,0,0|2,0,0]=4 4681 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)C)Br 7a_200010233951_100000210327 [0,2,0,0,0,0|2,0,0]=4 4682 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)C)C 34a_100000014572_100000210327 [0,2,0,0,0,0|2,0,0]=4 4683 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)C)C 7a_100000014572_100000210327 [0,2,0,0,0,0|2,0,0]=4 4684 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)C)Cl 34a_100000014566_100000210327 [0,2,0,0,0,0|2,0,0]=4 4685 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)C)Cl 7a_100000014566_100000210327 [0,2,0,0,0,0|2,0,0]=4 4686 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)Cl)Cl 34a_100000720105_100000210327 [0,2,0,0,0,0|2,0,0]=4 4687 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)Cl)Cl 7a_100000720105_100000210327 [0,2,0,0,0,0|2,0,0]=4 4688 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)F)Br 34a_100000691652_100000210327 [0,2,0,0,0,0|2,0,0]=4 4689 B19R2.7724 CC(=O)c1cc(c(cc1OC2CCCCC2)F)Br 7a_100000691652_100000210327 [0,2,0,0,0,0|2,0,0]=4 4690 B19R2.7724 CC(=O)c1cc(c(cc1SC2CCCCC2)F)F 62a_100013243444_100000210327 [0,2,0,0,0,0|2,0,0]=4 4691 B19R2.7724 Cc1cc(c(cc1Br)NC2CCCCC2)[N+](=O)[O-] 7a_100009993796_100000210327 [0,2,0,0,0,0|1,0,1]=4 4692 B19R2.7724 Cc1cc(c(cc1Br)[N+](=O)[O-])NC2CCCCC2 7a_100010071459_100000210327 [0,2,0,0,0,0|1,0,1]=4 4693 B19R2.7724 Cc1cc(c(cc1C)[N+](=O)[O-])NC2CCCCC2 7a_100000211049_100000210327 [0,2,0,0,0,0|1,0,1]=4 4694 B19R2.7724 Cc1cc(c(cc1Cl)NC2CCCCC2)[N+](=O)[O-] 7a_100011219555_100000210327 [0,2,0,0,0,0|1,0,1]=4 4695 B19R2.7724 Cc1cc(c(cc1I)[N+](=O)[O-])NC2CCCCC2 7a_100011003967_100000210327 [0,2,0,0,0,0|1,0,1]=4 4696 B19R2.7724 NC(=O)c1cc(c(cc1NC2CCCCC2)F)Br 34a_100015444839_100000210327 [0,2,0,0,0,0|1,0,0]=3 4697 B19R2.7724 NC(=O)c1cc(c(cc1NC2CCCCC2)F)Br 7a_100015444839_100000210327 [0,2,0,0,0,0|1,0,0]=3 4698 B19R2.7724 NC(=O)c1cc(c(cc1NC2CCCOC2)F)Br 34a_100015444839_100000693364 [0,2,0,0,0,0|2,0,0]=4 4699 B19R2.7724 NC(=O)c1cc(c(cc1NC2CCCOC2)F)Br 7a_100015444839_100000693364 [0,2,0,0,0,0|2,0,0]=4 4700 B19R2.7724 NC(=O)c1cc(c(cc1NC2CCOCC2)F)Br 7a_100015444839_100000686592 [0,2,0,0,0,0|2,0,0]=4 4701 B19R2.7724 NC(=O)c1cc(c(cc1NC2CCSCC2)F)Br 34a_100015444839_100000069128 [0,2,0,0,0,0|2,0,0]=4 4702 B19R2.7724 NC(=O)c1cc(c(cc1NC2CCSCC2)F)Br 7a_100015444839_100011500858 [0,2,0,0,0,0|2,0,0]=4 4703 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)Br)F 7a_100012662953_100000210327 [0,2,0,0,0,0|1,0,1]=4 4704 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)Br)I 7a_200021141667_100000210327 [0,2,0,0,0,0|1,0,1]=4 4705 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)Cl)Br 7a_100000717972_100000210327 [0,2,0,0,0,0|1,0,1]=4 4706 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)Cl)Cl 7a_100011215035_100000210327 [0,2,0,0,0,0|1,0,1]=4 4707 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)Cl)F 7a_100011216510_100000210327 [0,2,0,0,0,0|1,0,1]=4 4708 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)Cl)I 7a_100010191617_100000210327 [0,2,0,0,0,0|1,0,1]=4 4709 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)F)Br 7a_100000766068_100000210327 [0,2,0,0,0,0|1,0,1]=4 4710 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)F)Cl 34a_100012180780_100000210327 [0,2,0,0,0,0|1,0,1]=4 4711 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)F)Cl 7a_100012180780_100000210327 [0,2,0,0,0,0|1,0,1]=4 4712 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)F)F 34a_100000735901_100000210327 [0,2,0,0,0,0|1,0,1]=4 4713 B19R2.7724 O=[N+]([O-])c1cc(c(cc1NC2CCCCC2)F)F 7a_100000735901_100000210327 [0,2,0,0,0,0|1,0,1]=4 4714 B19R2.60516 CC(=O)c1c(cc(cc1OC2CCCCC2)Br)F 34a_100010734142_100000210327 [0,2,0,0,0,0|2,0,0]=4 4715 B19R2.60516 CC(=O)c1c(cc(cc1OC2CCCCC2)Br)F 7a_100010734142_100000210327 [0,2,0,0,0,0|2,0,0]=4 4716 B19R2.60516 CC(=O)c1c(cc(cc1OC2CCCCC2)Cl)F 34a_100009859732_100000210327 [0,2,0,0,0,0|2,0,0]=4 4717 B19R2.60516 CC(=O)c1c(cc(cc1OC2CCCCC2)Cl)F 7a_100009859732_100000210327 [0,2,0,0,0,0|2,0,0]=4 4718 B19R2.60516 Cc1cc(c(c(n1)NC2CCCCC2)C(=O)N)C 27a_100000182618_100000017153 [0,2,0,0,0,0|2,0,0]=4 4719 B19R2.60516 O=[N+]([O-])c1c(cc(cc1NC2CCCCC2)Cl)F 7a_100021568055_100000210327 [0,2,0,0,0,0|1,0,1]=4 4720 B19R2.60516 O=[N+]([O-])c1c(cc(cc1NC2CCCCC2)F)F 34a_100011217433_100000210327 [0,2,0,0,0,0|1,0,1]=4 4721 B19R2.60516 O=[N+]([O-])c1c(cc(cc1NC2CCCCC2)F)F 7a_100011217433_100000210327 [0,2,0,0,0,0|1,0,1]=4 4722 B19R2.103183 CC(=O)c1ccc(cc1N(C)C2CCCCC2)F 27a_100000207522_100000686192 [0,2,0,0,0,0|1,0,0]=3 4723 B19R2.103183 CC(=O)c1ccc(cc1N(C)C2CCOCC2)F 27a_100020587155_100000686192 [0,2,0,0,0,0|2,0,0]=4 4724 B19R2.103183 CC(=O)c1ccc(cc1N(C)C2CCSCC2)F 27a_100015184757_100000686192 [0,2,0,0,0,0|2,0,0]=4 4725 B19R2.103183 CN(c1cc(ccc1C(=O)N)Br)C2CCCCC2 27a_100000207522_100009815748 [0,2,0,0,0,0|1,0,0]=3 4726 B19R2.103183 CN(c1cc(ccc1C(=O)N)Br)C2CCOCC2 27a_100020587155_100009815748 [0,2,0,0,0,0|2,0,0]=4 4727 B19R2.103183 CN(c1cc(ccc1C(=O)N)Br)C2CCSCC2 27a_100015184757_100009815748 [0,2,0,0,0,0|2,0,0]=4 4728 B19R2.103183 CN(c1cc(ccc1C(=O)N)F)C2CCCCC2 27a_100000207522_100000206404 [0,2,0,0,0,0|1,0,0]=3 4729 B19R2.103183 CN(c1cc(ccc1C(=O)N)F)C2CCOCC2 27a_100020587155_100000206404 [0,2,0,0,0,0|2,0,0]=4 4730 B19R2.103183 CN(c1cc(ccc1C(=O)N)F)C2CCSCC2 27a_100015184757_100000206404 [0,2,0,0,0,0|2,0,0]=4 4731 B19R2.103183 CN(c1cc(ccc1[N+](=O)[O-])Br)C2CCCCC2 269982a_100000702581_100000210327 [0,2,0,0,0,0|1,0,1]=4 4732 B19R2.103183 CN(c1cc(ccc1[N+](=O)[O-])Cl)C2CCCCC2 269982a_100000188764_100000210327 [0,2,0,0,0,0|1,0,1]=4 4733 B19R2.103183 CN(c1cc(ccc1[N+](=O)[O-])F)C2CCCCC2 269982a_100000765406_100000210327 [0,2,0,0,0,0|1,0,1]=4 4734 B19R2.103183 CN(c1cc(ccc1[N+](=O)[O-])F)C2CCCCC2 34a_100000765406_100000210327 [0,2,0,0,0,0|1,0,1]=4 4735 B19R2.103183 Cc1ccc(c(c1)N(C)C2CCCCC2)[N+](=O)[O-] 269982a_100012179672_100000210327 [0,2,0,0,0,0|1,0,1]=4 4736 B19R2.103183 Cc1ccc(c(n1)N(C)C2CCCCC2)C(=O)N 27a_100000207522_100000041523 [0,2,0,0,0,0|2,0,0]=4 4737 B19R2.103261 CC(=O)c1ccc(c(c1SC2CCCCC2)F)F 62a_100000210327_200013857550 [0,2,0,0,0,0|2,0,0]=4 4738 B19R2.103261 CC(=O)c1ccc(c(c1SC2CCCCC2)F)F 62a_200013857550_100000210327 [0,2,0,0,0,0|2,0,0]=4 4739 B19R2.103261 Cc1c(ccc(c1NC2CCCCC2)[N+](=O)[O-])F 34a_100000080702_100000210327 [0,2,0,0,0,0|1,0,1]=4 4740 B19R2.103261 Cc1ccc(c(c1C)NC2CCCCC2)[N+](=O)[O-] 34a_100000181302_100000210327 [0,2,0,0,0,0|1,0,1]=4 4741 B19R2.103261 Cc1ccc(c(c1F)NC2CCCCC2)[N+](=O)[O-] 34a_100009871327_100000210327 [0,2,0,0,0,0|1,0,1]=4 4742 B19R2.103261 O=[N+]([O-])c1ccc(c(c1NC2CCCCC2)Cl)F 34a_100000093548_100000210327 [0,2,0,0,0,0|1,0,1]=4 4743 B19R2.103261 O=[N+]([O-])c1ccc(c(c1NC2CCCCC2)F)F 34a_100000759828_100000210327 [0,2,0,0,0,0|1,0,1]=4 4744 B19R2.155618 CCC(=O)c1ccc(cc1NC2CCCCC2)C 27a_100000182618_200012349623 [0,2,0,0,0,0|1,0,0]=3 4745 B19R2.155618 CCC(=O)c1ccc(cc1NC2CCCOC2)C 27a_100000719290_200012349623 [0,2,0,0,0,0|2,0,0]=4 4746 B19R2.155618 CCC(=O)c1ccc(cc1NC2CCOCC2)C 27a_100000741149_200012349623 [0,2,0,0,0,0|2,0,0]=4 4747 B19R2.155618 CCC(=O)c1ccc(cc1NC2CCSCC2)C 27a_100000748639_200012349623 [0,2,0,0,0,0|2,0,0]=4 4748 B19R2.155618 CNC(=O)c1ccc(cc1NC2CCCCC2)Cl 34a_100000742614_100000210327 [0,2,0,0,0,0|1,0,0]=3 4749 B19R2.155618 CNC(=O)c1ccc(cc1NC2CCCCC2)F 27a_100000182618_200000206206 [0,2,0,0,0,0|1,0,0]=3 4750 B19R2.155618 CNC(=O)c1ccc(cc1NC2CCCOC2)Cl 34a_100000742614_100000693364 [0,2,0,0,0,0|2,0,0]=4 4751 B19R2.155618 CNC(=O)c1ccc(cc1NC2CCCOC2)F 27a_100000719290_200000206206 [0,2,0,0,0,0|2,0,0]=4 4752 B19R2.155618 CNC(=O)c1ccc(cc1NC2CCOCC2)F 27a_100000741149_200000206206 [0,2,0,0,0,0|2,0,0]=4 4753 B19R2.155618 CNC(=O)c1ccc(cc1NC2CCSCC2)Cl 34a_100000742614_100000069128 [0,2,0,0,0,0|2,0,0]=4 4754 B19R2.155618 CNC(=O)c1ccc(cc1NC2CCSCC2)F 27a_100000748639_200000206206 [0,2,0,0,0,0|2,0,0]=4 4755 B19R2.155618 CNC(=O)c1ccc(cc1OC2CCCCC2)N 34a_100000223174_100000210327 [0,2,0,0,0,0|2,0,0]=4 4756 B19R2.155618 CNC(=O)c1ccc(cc1OC2CCCCC2)N 7a_100000223174_100000210327 [0,2,0,0,0,0|2,0,0]=4 4757 B19R2.155618 CNC(=O)c1ccc(cc1SC2CCCCC2)F 62a_100000210327_200000206206 [0,2,0,0,0,0|2,0,0]=4 4758 B19R2.155618 CNC(=O)c1ccc(cc1SC2CCCCC2)F 62a_200000206206_100000210327 [0,2,0,0,0,0|2,0,0]=4 4759 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)Br 34a_100000699699_100000210327 [0,2,0,0,0,0|1,0,0]=3 4760 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)Br 7a_100000699699_100000210327 [0,2,0,0,0,0|1,0,0]=3 4761 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)C 34a_100000148187_100000210327 [0,2,0,0,0,0|1,0,0]=3 4762 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)C 7a_100000148187_100000210327 [0,2,0,0,0,0|1,0,0]=3 4763 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)Cl 34a_100000151441_100000210327 [0,2,0,0,0,0|1,0,0]=3 4764 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)Cl 7a_100000151441_100000210327 [0,2,0,0,0,0|1,0,0]=3 4765 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)F 34a_100011216117_100000210327 [0,2,0,0,0,0|1,0,0]=3 4766 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)F 7a_100011216117_100000210327 [0,2,0,0,0,0|1,0,0]=3 4767 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)I 7a_100000062286_100000210327 [0,2,0,0,0,0|1,0,0]=3 4768 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)N 34a_100000718744_100000210327 [0,2,0,0,0,0|1,0,0]=3 4769 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCCC2)N 7a_100000718744_100000210327 [0,2,0,0,0,0|1,0,0]=3 4770 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)Br 34a_100000699699_100000693364 [0,2,0,0,0,0|2,0,0]=4 4771 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)Br 7a_100000699699_100000693364 [0,2,0,0,0,0|2,0,0]=4 4772 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)C 34a_100000148187_100000693364 [0,2,0,0,0,0|2,0,0]=4 4773 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)C 7a_100000148187_100000693364 [0,2,0,0,0,0|2,0,0]=4 4774 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)Cl 34a_100000151441_100000693364 [0,2,0,0,0,0|2,0,0]=4 4775 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)Cl 7a_100000151441_100000693364 [0,2,0,0,0,0|2,0,0]=4 4776 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)F 34a_100011216117_100000693364 [0,2,0,0,0,0|2,0,0]=4 4777 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)F 7a_100011216117_100000693364 [0,2,0,0,0,0|2,0,0]=4 4778 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)I 7a_100000062286_100000693364 [0,2,0,0,0,0|2,0,0]=4 4779 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)N 34a_100000718744_100000693364 [0,2,0,0,0,0|2,0,0]=4 4780 B19R2.155618 COC(=O)c1ccc(cc1OC2CCCOC2)N 7a_100000718744_100000693364 [0,2,0,0,0,0|2,0,0]=4 4781 B19R2.155618 COC(=O)c1ccc(cc1OC2CCOCC2)Br 7a_100000699699_100000686592 [0,2,0,0,0,0|2,0,0]=4 4782 B19R2.155618 COC(=O)c1ccc(cc1OC2CCOCC2)C 7a_100000148187_100000686592 [0,2,0,0,0,0|2,0,0]=4 4783 B19R2.155618 COC(=O)c1ccc(cc1OC2CCOCC2)Cl 7a_100000151441_100000686592 [0,2,0,0,0,0|2,0,0]=4 4784 B19R2.155618 COC(=O)c1ccc(cc1OC2CCOCC2)F 7a_100011216117_100000686592 [0,2,0,0,0,0|2,0,0]=4 4785 B19R2.155618 COC(=O)c1ccc(cc1OC2CCOCC2)I 7a_100000062286_100000686592 [0,2,0,0,0,0|2,0,0]=4 4786 B19R2.155618 COC(=O)c1ccc(cc1OC2CCOCC2)N 7a_100000718744_100000686592 [0,2,0,0,0,0|2,0,0]=4 4787 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)Br 34a_100000699699_100000069128 [0,2,0,0,0,0|2,0,0]=4 4788 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)Br 7a_100000699699_100011500858 [0,2,0,0,0,0|2,0,0]=4 4789 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)C 34a_100000148187_100000069128 [0,2,0,0,0,0|2,0,0]=4 4790 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)C 7a_100000148187_100011500858 [0,2,0,0,0,0|2,0,0]=4 4791 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)Cl 34a_100000151441_100000069128 [0,2,0,0,0,0|2,0,0]=4 4792 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)Cl 7a_100000151441_100011500858 [0,2,0,0,0,0|2,0,0]=4 4793 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)F 34a_100011216117_100000069128 [0,2,0,0,0,0|2,0,0]=4 4794 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)F 7a_100011216117_100011500858 [0,2,0,0,0,0|2,0,0]=4 4795 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)I 7a_100000062286_100011500858 [0,2,0,0,0,0|2,0,0]=4 4796 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)N 34a_100000718744_100000069128 [0,2,0,0,0,0|2,0,0]=4 4797 B19R2.155618 COC(=O)c1ccc(cc1OC2CCSCC2)N 7a_100000718744_100011500858 [0,2,0,0,0,0|2,0,0]=4 4798 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)Br 62a_100000701758_100000210327 [0,2,0,0,0,0|1,0,0]=3 4799 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)C 62a_100000210327_100012340597 [0,2,0,0,0,0|1,0,0]=3 4800 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)C 62a_100012340597_100000210327 [0,2,0,0,0,0|1,0,0]=3 4801 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)Cl 62a_100000047510_100000210327 [0,2,0,0,0,0|1,0,0]=3 4802 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)Cl 62a_100000210327_100000047510 [0,2,0,0,0,0|1,0,0]=3 4803 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)F 62a_100000204356_100000210327 [0,2,0,0,0,0|1,0,0]=3 4804 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)F 62a_100000210327_100000204356 [0,2,0,0,0,0|1,0,0]=3 4805 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)N 62a_100000210327_100010150747 [0,2,0,0,0,0|1,0,0]=3 4806 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)N 62a_100009998378_100000210327 [0,2,0,0,0,0|1,0,0]=3 4807 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)O 62a_100000210327_100010150825 [0,2,0,0,0,0|1,0,0]=3 4808 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCCC2)O 62a_100010150825_100000210327 [0,2,0,0,0,0|1,0,0]=3 4809 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCOC2)Br 62a_100000701758_100000693364 [0,2,0,0,0,0|2,0,0]=4 4810 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCOC2)C 62a_100012340597_100000693364 [0,2,0,0,0,0|2,0,0]=4 4811 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCOC2)Cl 62a_100000047510_100000693364 [0,2,0,0,0,0|2,0,0]=4 4812 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCOC2)F 62a_100000204356_100000693364 [0,2,0,0,0,0|2,0,0]=4 4813 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCOC2)N 62a_100009998378_100000693364 [0,2,0,0,0,0|2,0,0]=4 4814 B19R2.155618 COC(=O)c1ccc(cc1SC2CCCOC2)O 62a_100010150825_100000693364 [0,2,0,0,0,0|2,0,0]=4 4815 B19R2.155618 COC(=O)c1ccc(cc1SC2CCOCC2)Br 62a_100000701758_100011324220 [0,2,0,0,0,0|2,0,0]=4 4816 B19R2.155618 COC(=O)c1ccc(cc1SC2CCOCC2)C 62a_100012340597_100011324220 [0,2,0,0,0,0|2,0,0]=4 4817 B19R2.155618 COC(=O)c1ccc(cc1SC2CCOCC2)Cl 62a_100000047510_100011324220 [0,2,0,0,0,0|2,0,0]=4 4818 B19R2.155618 COC(=O)c1ccc(cc1SC2CCOCC2)F 62a_100000204356_100011324220 [0,2,0,0,0,0|2,0,0]=4 4819 B19R2.155618 COC(=O)c1ccc(cc1SC2CCOCC2)N 62a_100009998378_100011324220 [0,2,0,0,0,0|2,0,0]=4 4820 B19R2.155618 COC(=O)c1ccc(cc1SC2CCOCC2)O 62a_100010150825_100011324220 [0,2,0,0,0,0|2,0,0]=4 4821 B19R2.155618 COC(=O)c1ccc(cc1SC2CCSCC2)Br 62a_100000701758_100000069128 [0,2,0,0,0,0|2,0,0]=4 4822 B19R2.155618 COC(=O)c1ccc(cc1SC2CCSCC2)C 62a_100012340597_100000069128 [0,2,0,0,0,0|2,0,0]=4 4823 B19R2.155618 COC(=O)c1ccc(cc1SC2CCSCC2)Cl 62a_100000047510_100000069128 [0,2,0,0,0,0|2,0,0]=4 4824 B19R2.155618 COC(=O)c1ccc(cc1SC2CCSCC2)F 62a_100000204356_100000069128 [0,2,0,0,0,0|2,0,0]=4 4825 B19R2.155618 COC(=O)c1ccc(cc1SC2CCSCC2)N 62a_100009998378_100000069128 [0,2,0,0,0,0|2,0,0]=4 4826 B19R2.155618 COC(=O)c1ccc(cc1SC2CCSCC2)O 62a_100010150825_100000069128 [0,2,0,0,0,0|2,0,0]=4 4827 B19R2.155618 COC(=O)c1ccc(nc1SC2CCCCC2)C 62a_100000054099_100000210327 [0,2,0,0,0,0|2,0,0]=4 4828 B19R2.155618 COC(=O)c1ccc(nc1SC2CCCCC2)C 62a_100000210327_100000054099 [0,2,0,0,0,0|2,0,0]=4 4829 B19R2.155618 COC(=O)c1ccc(nc1SC2CCCCC2)N 62a_100000210327_100009865240 [0,2,0,0,0,0|2,0,0]=4 4830 B19R2.155618 COC(=O)c1ccc(nc1SC2CCCCC2)N 62a_100009865240_100000210327 [0,2,0,0,0,0|2,0,0]=4 4831 B19R2.155618 COC(=O)c1cnc(cc1NC2CCCCC2)C 27a_100000182618_100011998247 [0,2,0,0,0,0|1,0,0]=3 4832 B19R2.155618 COC(=O)c1cnc(cc1NC2CCCOC2)C 27a_100000719290_100011998247 [0,2,0,0,0,0|2,0,0]=4 4833 B19R2.155618 COC(=O)c1cnc(cc1NC2CCOCC2)C 27a_100000741149_100011998247 [0,2,0,0,0,0|2,0,0]=4 4834 B19R2.155618 COC(=O)c1cnc(cc1NC2CCSCC2)C 27a_100000748639_100011998247 [0,2,0,0,0,0|2,0,0]=4 4835 B19R2.155618 COC(=O)c1cnc(cc1SC2CCCCC2)C 62a_100000210327_100011998247 [0,2,0,0,0,0|2,0,0]=4 4836 B19R2.155618 COC(=O)c1cnc(cc1SC2CCCCC2)C 62a_100011998247_100000210327 [0,2,0,0,0,0|2,0,0]=4 4837 B19R2.155618 COC(=O)c1cnc(cc1SC2CCCCC2)Cl 62a_100000210327_100010734300 [0,2,0,0,0,0|2,0,0]=4 4838 B19R2.155618 COC(=O)c1cnc(cc1SC2CCCCC2)Cl 62a_100010734300_100000210327 [0,2,0,0,0,0|2,0,0]=4 4839 B19R2.155618 COC(=O)c1cnc(nc1NC2CCCCC2)N 27a_100000182618_100010277515 [0,2,0,0,0,0|2,0,0]=4 4840 B19R2.155618 COC(=O)c1ncc(cc1OC2CCCCC2)Br 34a_100010071521_100000210327 [0,2,0,0,0,0|2,0,0]=4 4841 B19R2.155618 COC(=O)c1ncc(cc1OC2CCCCC2)Br 7a_100010071521_100000210327 [0,2,0,0,0,0|2,0,0]=4 4842 B19R2.155618 COC(=O)c1ncc(cc1SC2CCCCC2)C 62a_100000210327_100010167497 [0,2,0,0,0,0|2,0,0]=4 4843 B19R2.155618 COC(=O)c1ncc(cc1SC2CCCCC2)C 62a_100010167497_100000210327 [0,2,0,0,0,0|2,0,0]=4 4844 B19R2.155618 COC(=O)c1ncc(cc1SC2CCCCC2)F 62a_100000210327_100010189631 [0,2,0,0,0,0|2,0,0]=4 4845 B19R2.155618 COC(=O)c1ncc(cc1SC2CCCCC2)F 62a_100010189631_100000210327 [0,2,0,0,0,0|2,0,0]=4 4846 B19R2.155618 COC(=O)c1ncc(nc1NC2CCCCC2)C 27a_100000182618_100000099855 [0,2,0,0,0,0|2,0,0]=4 4847 B19R2.155618 Cc1ccc(c(c1)OC2CCCCC2)C(=O)NN 34a_100000193368_100000210327 [0,2,0,0,0,0|2,0,0]=4 4848 B19R2.155618 Cc1ccc(c(c1)OC2CCCCC2)C(=O)NO 34a_200000199133_100000210327 [0,2,0,0,0,0|1,0,0]=3 4849 B19R2.155618 Cc1ccc(c(c1)OC2CCCOC2)C(=O)NO 34a_200000199133_100000693364 [0,2,0,0,0,0|2,0,0]=4 4850 B19R2.155618 Cc1ccc(c(c1)OC2CCSCC2)C(=O)NO 34a_200000199133_100000069128 [0,2,0,0,0,0|2,0,0]=4 4851 B19R2.155618 Cc1ccc(c(c1)SC2CCCCC2)C(=O)NN 62a_100000210327_200012340525 [0,2,0,0,0,0|2,0,0]=4 4852 B19R2.155618 Cc1ccc(c(c1)SC2CCCCC2)C(=O)NN 62a_200012340525_100000210327 [0,2,0,0,0,0|2,0,0]=4 4853 B19R2.155618 NNC(=O)c1ccc(cc1NC2CCCCC2)F 27a_100000182618_100000203923 [0,2,0,0,0,0|1,0,0]=3 4854 B19R2.155618 NNC(=O)c1ccc(cc1NC2CCCOC2)F 27a_100000719290_100000203923 [0,2,0,0,0,0|2,0,0]=4 4855 B19R2.155618 NNC(=O)c1ccc(cc1NC2CCOCC2)F 27a_100000741149_100000203923 [0,2,0,0,0,0|2,0,0]=4 4856 B19R2.155618 NNC(=O)c1ccc(cc1NC2CCSCC2)F 27a_100000748639_100000203923 [0,2,0,0,0,0|2,0,0]=4 4857 B19R2.155618 NNC(=O)c1ccc(cc1OC2CCCCC2)Cl 34a_100000193371_100000210327 [0,2,0,0,0,0|2,0,0]=4 4858 B19R2.155618 NNC(=O)c1ccc(cc1OC2CCCCC2)N 34a_200000020778_100000210327 [0,2,0,0,0,0|2,0,0]=4 4859 B19R2.155618 NNC(=O)c1ccc(cc1SC2CCCCC2)F 62a_100000203923_100000210327 [0,2,0,0,0,0|2,0,0]=4 4860 B19R2.155618 NNC(=O)c1ccc(cc1SC2CCCCC2)F 62a_100000210327_100000203923 [0,2,0,0,0,0|2,0,0]=4 4861 B19R2.155618 O=C(CBr)c1ccc(cc1OC2CCCCC2)F 7a_100009817053_100000210327 [0,2,0,0,0,0|2,0,0]=4 4862 B19R2.155618 O=C(NO)c1ccc(cc1OC2CCCCC2)Cl 34a_100000199135_100000210327 [0,2,0,0,0,0|1,0,0]=3 4863 B19R2.155618 O=C(NO)c1ccc(cc1OC2CCCOC2)Cl 34a_100000199135_100000693364 [0,2,0,0,0,0|2,0,0]=4 4864 B19R2.155618 O=C(NO)c1ccc(cc1OC2CCSCC2)Cl 34a_100000199135_100000069128 [0,2,0,0,0,0|2,0,0]=4 4865 B19R2.506971 CC(=O)c1ccc(cc1NC2(CCOCC2)C)F 27a_100000692449_100000686192 [0,2,0,0,0,0|2,0,0]=4 4866 B19R2.506971 CC1(CCOCC1)Nc2cc(ccc2C(=O)N)Br 27a_100000692449_100009815748 [0,2,0,0,0,0|2,0,0]=4 4867 B19R2.506971 CC1(CCOCC1)Nc2cc(ccc2C(=O)N)F 27a_100000692449_100000206404 [0,2,0,0,0,0|2,0,0]=4 4868 B19R2.5668 CC(C)(O)c1ccccc1NC2CCCCC2F 34a_100000081495_100015423560 [0,2,0,0,0,0|1,0,1]=4 4869 B19R2.5668 CC(C)(O)c1ccccc1NC2CCCCC2O 34a_100000081495_100000038908 [0,2,0,0,0,0|1,0,1]=4 4870 B19R2.5668 CP(=O)(C)c1ccccc1NC2CCCCC2F 34a_100010749338_100015423560 [0,2,0,0,0,0|2,0,0]=4 4871 B19R2.5668 CP(=O)(C)c1ccccc1NC2CCCCC2O 34a_100010749338_100000038908 [0,2,0,0,0,0|2,0,0]=4 4872 B19R2.5668 CS(=O)(=O)c1ccccc1NC2CCCCC2F 34a_100000241000_100015423560 [0,2,0,0,0,0|1,0,1]=4 4873 B19R2.5668 CS(=O)(=O)c1ccccc1NC2CCCCC2O 34a_100000241000_100000038908 [0,2,0,0,0,0|1,0,1]=4 4874 B19R2.5668 NS(=O)(=O)c1ccccc1NC2CCCCC2F 34a_100011204920_100015423560 [0,2,0,0,0,0|1,0,1]=4 4875 B19R2.5668 NS(=O)(=O)c1ccccc1NC2CCCCC2O 34a_100011204920_100000038908 [0,2,0,0,0,0|1,0,1]=4 4876 B19R2.7521 CC(=O)c1c(cccc1OC2CCCCC2F)Br 34a_100010174959_100015423560 [0,2,0,0,0,0|2,0,0]=4 4877 B19R2.7521 CC(=O)c1c(cccc1OC2CCCCC2F)C 34a_100009860897_100015423560 [0,2,0,0,0,0|2,0,0]=4 4878 B19R2.7521 CC(=O)c1c(cccc1OC2CCCCC2F)Cl 34a_100000730630_100015423560 [0,2,0,0,0,0|2,0,0]=4 4879 B19R2.7521 CC(=O)c1c(cccc1OC2CCCCC2F)F 34a_100011216272_100015423560 [0,2,0,0,0,0|2,0,0]=4 4880 B19R2.7521 CC(=O)c1c(cccc1OC2CCCCC2O)Br 34a_100010174959_100000038908 [0,2,0,0,0,0|2,0,0]=4 4881 B19R2.7521 CC(=O)c1c(cccc1OC2CCCCC2O)C 34a_100009860897_100000038908 [0,2,0,0,0,0|2,0,0]=4 4882 B19R2.7521 CC(=O)c1c(cccc1OC2CCCCC2O)Cl 34a_100000730630_100000038908 [0,2,0,0,0,0|2,0,0]=4 4883 B19R2.7521 CC(=O)c1c(cccc1OC2CCCCC2O)F 34a_100011216272_100000038908 [0,2,0,0,0,0|2,0,0]=4 4884 B19R2.7521 CC(=O)c1c(cccc1SC2CCCCC2F)F 62a_100012351873_100015423560 [0,2,0,0,0,0|2,0,0]=4 4885 B19R2.7521 CC(=O)c1c(cccc1SC2CCCCC2O)F 62a_100012351873_100000038908 [0,2,0,0,0,0|2,0,0]=4 4886 B19R2.7521 CC1CCCCC1Nc2cccc(c2C(=O)N)F 27a_100000211402_100011219063 [0,2,0,0,0,0|1,0,0]=3 4887 B19R2.7521 Cc1cccc(c1C(=O)N)NC2CCCCC2=O 34a_100102558177_100000754470 [0,2,0,0,0,0|1,0,1]=4 4888 B19R2.7521 Cc1cccc(c1C(=O)N)NC2CCCCC2=O 7a_100102558177_100000204591 [0,2,0,0,0,0|1,0,1]=4 4889 B19R2.7521 Cc1cccc(c1C(=O)N)NC2CCCCC2F 34a_100102558177_100015423560 [0,2,0,0,0,0|1,0,0]=3 4890 B19R2.7521 Cc1cccc(c1C(=O)N)NC2CCCCC2O 34a_100102558177_100000038908 [0,2,0,0,0,0|1,0,0]=3 4891 B19R2.7521 Cc1cccc(c1[N+](=O)[O-])NC2CCCCC2F 34a_100011424894_100015423560 [0,2,0,0,0,0|1,0,1]=4 4892 B19R2.7521 Cc1cccc(c1[N+](=O)[O-])NC2CCCCC2O 34a_100011424894_100000038908 [0,2,0,0,0,0|1,0,1]=4 4893 B19R2.7521 NC(=O)c1c(cccc1NC2CCCCC2=O)Cl 34a_100000764435_100000754470 [0,2,0,0,0,0|1,0,1]=4 4894 B19R2.7521 NC(=O)c1c(cccc1NC2CCCCC2=O)Cl 7a_100000764435_100000204591 [0,2,0,0,0,0|1,0,1]=4 4895 B19R2.7521 NC(=O)c1c(cccc1NC2CCCCC2=O)F 34a_100000036109_100000754470 [0,2,0,0,0,0|1,0,1]=4 4896 B19R2.7521 NC(=O)c1c(cccc1NC2CCCCC2=O)F 7a_100000036109_100000204591 [0,2,0,0,0,0|1,0,1]=4 4897 B19R2.7521 NC(=O)c1c(cccc1NC2CCCCC2F)Cl 34a_100000764435_100015423560 [0,2,0,0,0,0|1,0,0]=3 4898 B19R2.7521 NC(=O)c1c(cccc1NC2CCCCC2F)F 34a_100000036109_100015423560 [0,2,0,0,0,0|1,0,0]=3 4899 B19R2.7521 NC(=O)c1c(cccc1NC2CCCCC2O)Cl 34a_100000764435_100000038908 [0,2,0,0,0,0|1,0,0]=3 4900 B19R2.7521 NC(=O)c1c(cccc1NC2CCCCC2O)F 34a_100000036109_100000038908 [0,2,0,0,0,0|1,0,0]=3 4901 B19R2.7521 NC(=O)c1c(cccc1N[C@@H]2CCCC[C@@H]2O)F 27a_100015191688_100011219063 [0,2,0,0,0,0|1,0,0]=3 4902 B19R2.7521 NC(=O)c1c(cccc1N[C@@H]2CCCC[C@H]2F)F 27a_100015195156_100011219063 [0,2,0,0,0,0|1,0,0]=3 4903 B19R2.7521 NC(=O)c1c(cccc1N[C@@H]2CCOC[C@@H]2O)F 27a_100016994285_100011219063 [0,2,0,0,0,0|2,0,0]=4 4904 B19R2.7521 NC(=O)c1c(cccc1N[C@H]2CCOC[C@@H]2F)F 27a_100016994078_100011219063 [0,2,0,0,0,0|2,0,0]=4 4905 B19R2.7521 NC(=O)c1c(cccc1N[C@H]2COCC[C@@H]2O)F 27a_100015739063_100011219063 [0,2,0,0,0,0|2,0,0]=4 4906 B19R2.7521 NC(=O)c1c(cccc1OC2CCCCC2F)F 34a_100000701607_100015423560 [0,2,0,0,0,0|2,0,0]=4 4907 B19R2.7521 NC(=O)c1c(cccc1OC2CCCCC2O)F 34a_100000701607_100000038908 [0,2,0,0,0,0|2,0,0]=4 4908 B19R2.7521 NC(=O)c1c(cccc1SC2CCCCC2F)Cl 62a_100010147686_100015423560 [0,2,0,0,0,0|2,0,0]=4 4909 B19R2.7521 NC(=O)c1c(cccc1SC2CCCCC2F)F 62a_100011219063_100015423560 [0,2,0,0,0,0|2,0,0]=4 4910 B19R2.7521 NC(=O)c1c(cccc1SC2CCCCC2O)Cl 62a_100010147686_100000038908 [0,2,0,0,0,0|2,0,0]=4 4911 B19R2.7521 NC(=O)c1c(cccc1SC2CCCCC2O)F 62a_100011219063_100000038908 [0,2,0,0,0,0|2,0,0]=4 4912 B19R2.7521 O=[N+]([O-])c1c(cccc1NC2CCCCC2F)F 34a_100011219493_100015423560 [0,2,0,0,0,0|1,0,1]=4 4913 B19R2.7521 O=[N+]([O-])c1c(cccc1NC2CCCCC2O)F 34a_100011219493_100000038908 [0,2,0,0,0,0|1,0,1]=4 4914 B19R2.14492 COC1CCCCC1Nc2cccnc2C(=O)N 27a_100011208099_200012359670 [0,2,0,0,0,0|2,0,0]=4 4915 B19R2.14492 COC1CCCCC1Nc2ccncc2C(=O)C 27a_100011208099_100160469449 [0,2,0,0,0,0|2,0,0]=4 4916 B19R2.14492 COC1CCCCC1Nc2ccncc2C(=O)N 27a_100011208099_100000697804 [0,2,0,0,0,0|2,0,0]=4 4917 B19R2.14492 COC1CCCCC1Nc2ncccc2C(=O)C 27a_100011208099_100009816689 [0,2,0,0,0,0|2,0,0]=4 4918 B19R2.14492 COC1CCCCC1Nc2ncccc2C(=O)N 27a_100011208099_100000162199 [0,2,0,0,0,0|2,0,0]=4 4919 B19R2.62502 CC(=O)c1cccc(c1OC2CCCCC2F)C 34a_100009847209_100015423560 [0,2,0,0,0,0|2,0,0]=4 4920 B19R2.62502 CC(=O)c1cccc(c1OC2CCCCC2F)Cl 34a_100000043392_100015423560 [0,2,0,0,0,0|2,0,0]=4 4921 B19R2.62502 CC(=O)c1cccc(c1OC2CCCCC2F)F 34a_100011246037_100015423560 [0,2,0,0,0,0|2,0,0]=4 4922 B19R2.62502 CC(=O)c1cccc(c1OC2CCCCC2O)C 34a_100009847209_100000038908 [0,2,0,0,0,0|2,0,0]=4 4923 B19R2.62502 CC(=O)c1cccc(c1OC2CCCCC2O)Cl 34a_100000043392_100000038908 [0,2,0,0,0,0|2,0,0]=4 4924 B19R2.62502 CC(=O)c1cccc(c1OC2CCCCC2O)F 34a_100011246037_100000038908 [0,2,0,0,0,0|2,0,0]=4 4925 B19R2.62502 CC(=O)c1cccc(c1SC2CCCCC2F)F 62a_100012362612_100015423560 [0,2,0,0,0,0|2,0,0]=4 4926 B19R2.62502 CC(=O)c1cccc(c1SC2CCCCC2F)F 62a_100015423560_100012362612 [0,2,0,0,0,0|2,0,0]=4 4927 B19R2.62502 CC(=O)c1cccc(c1SC2CCCCC2O)F 62a_100000038908_100012362612 [0,2,0,0,0,0|2,0,0]=4 4928 B19R2.62502 CC(=O)c1cccc(c1SC2CCCCC2O)F 62a_100012362612_100000038908 [0,2,0,0,0,0|2,0,0]=4 4929 B19R2.62502 Cc1cccc(c1NC2CCCCC2=O)C(=O)N 34a_100000223273_100000754470 [0,2,0,0,0,0|1,0,1]=4 4930 B19R2.62502 Cc1cccc(c1NC2CCCCC2F)C(=O)N 34a_100000223273_100015423560 [0,2,0,0,0,0|1,0,0]=3 4931 B19R2.62502 Cc1cccc(c1NC2CCCCC2O)C(=O)N 34a_100000223273_100000038908 [0,2,0,0,0,0|1,0,0]=3 4932 B19R2.62502 Cc1cccc(c1SC2CCCCC2F)C(=O)N 62a_100015423560_200011409216 [0,2,0,0,0,0|2,0,0]=4 4933 B19R2.62502 Cc1cccc(c1SC2CCCCC2F)C(=O)N 62a_200011409216_100015423560 [0,2,0,0,0,0|2,0,0]=4 4934 B19R2.62502 Cc1cccc(c1SC2CCCCC2O)C(=O)N 62a_100000038908_200011409216 [0,2,0,0,0,0|2,0,0]=4 4935 B19R2.62502 Cc1cccc(c1SC2CCCCC2O)C(=O)N 62a_200011409216_100000038908 [0,2,0,0,0,0|2,0,0]=4 4936 B19R2.62502 NC(=O)c1cccc(c1NC2CCCCC2=O)Cl 34a_200011997947_100000754470 [0,2,0,0,0,0|1,0,1]=4 4937 B19R2.62502 NC(=O)c1cccc(c1NC2CCCCC2=O)F 34a_100011722151_100000754470 [0,2,0,0,0,0|1,0,1]=4 4938 B19R2.62502 NC(=O)c1cccc(c1NC2CCCCC2F)Cl 34a_200011997947_100015423560 [0,2,0,0,0,0|1,0,0]=3 4939 B19R2.62502 NC(=O)c1cccc(c1NC2CCCCC2F)F 34a_100011722151_100015423560 [0,2,0,0,0,0|1,0,0]=3 4940 B19R2.62502 NC(=O)c1cccc(c1NC2CCCCC2O)Cl 34a_200011997947_100000038908 [0,2,0,0,0,0|1,0,0]=3 4941 B19R2.62502 NC(=O)c1cccc(c1NC2CCCCC2O)F 34a_100011722151_100000038908 [0,2,0,0,0,0|1,0,0]=3 4942 B19R2.62502 NC(=O)c1cccc(c1OC2CCCCC2F)Cl 34a_100009868166_100015423560 [0,2,0,0,0,0|2,0,0]=4 4943 B19R2.62502 NC(=O)c1cccc(c1OC2CCCCC2F)F 34a_100009886295_100015423560 [0,2,0,0,0,0|2,0,0]=4 4944 B19R2.62502 NC(=O)c1cccc(c1OC2CCCCC2O)Cl 34a_100009868166_100000038908 [0,2,0,0,0,0|2,0,0]=4 4945 B19R2.62502 NC(=O)c1cccc(c1OC2CCCCC2O)F 34a_100009886295_100000038908 [0,2,0,0,0,0|2,0,0]=4 4946 B19R2.62502 NC(=O)c1cccc(c1SC2CCCCC2F)F 62a_100015423560_200012351544 [0,2,0,0,0,0|2,0,0]=4 4947 B19R2.62502 NC(=O)c1cccc(c1SC2CCCCC2F)F 62a_200012351544_100015423560 [0,2,0,0,0,0|2,0,0]=4 4948 B19R2.62502 NC(=O)c1cccc(c1SC2CCCCC2O)F 62a_100000038908_200012351544 [0,2,0,0,0,0|2,0,0]=4 4949 B19R2.62502 NC(=O)c1cccc(c1SC2CCCCC2O)F 62a_200012351544_100000038908 [0,2,0,0,0,0|2,0,0]=4 4950 B19R2.62502 O=[N+]([O-])c1cccc(c1NC2CCCCC2F)F 34a_100000687224_100015423560 [0,2,0,0,0,0|1,0,1]=4 4951 B19R2.62502 O=[N+]([O-])c1cccc(c1NC2CCCCC2O)F 34a_100000687224_100000038908 [0,2,0,0,0,0|1,0,1]=4 4952 B19R2.92351 CC(=O)c1cccnc1N(C)[C@@H]2CCCC[C@H]2O 27a_100000708425_100009816689 [0,2,0,0,0,0|2,0,0]=4 4953 B19R2.92351 CC(=O)c1cnccc1N(C)[C@@H]2CCCC[C@H]2O 27a_100000708425_100160469449 [0,2,0,0,0,0|2,0,0]=4 4954 B19R2.92351 CN(c1ccccc1C(=O)N)C2CCCCC2=O 269982a_100000184419_100000204591 [0,2,0,0,0,0|1,0,1]=4 4955 B19R2.92351 CN(c1ccccc1C(=O)N)C2CCCCC2F 269982a_100000184419_100015423560 [0,2,0,0,0,0|1,0,0]=3 4956 B19R2.92351 CN(c1ccccc1C(=O)N)C2CCCCC2O 269982a_100000184419_100000038908 [0,2,0,0,0,0|1,0,0]=3 4957 B19R2.92351 CN(c1ccccc1[N+](=O)[O-])C2CCCCC2F 269982a_100000156515_100015423560 [0,2,0,0,0,0|1,0,1]=4 4958 B19R2.92351 CN(c1ccccc1[N+](=O)[O-])C2CCCCC2O 269982a_100000156515_100000038908 [0,2,0,0,0,0|1,0,1]=4 4959 B19R2.92351 CN(c1cccnc1C(=O)N)[C@@H]2CCCC[C@H]2O 27a_100000708425_200012359670 [0,2,0,0,0,0|2,0,0]=4 4960 B19R2.92351 CN(c1ccncc1C(=O)N)[C@@H]2CCCC[C@H]2O 27a_100000708425_100000697804 [0,2,0,0,0,0|2,0,0]=4 4961 B19R2.92351 CN(c1ncccc1C(=O)N)[C@@H]2CCCC[C@H]2O 27a_100000708425_100000162199 [0,2,0,0,0,0|2,0,0]=4 4962 B19R2.103503 C=C(C)c1cc(ccc1NC2CCCCC2F)F 34a_100009961556_100015423560 [0,2,0,0,0,0|2,0,0]=4 4963 B19R2.103503 C=C(C)c1cc(ccc1NC2CCCCC2O)F 34a_100009961556_100000038908 [0,2,0,0,0,0|2,0,0]=4 4964 B19R2.103503 CC(=O)c1cc(ccc1OC2CCCCC2F)Br 34a_100000212127_100015423560 [0,2,0,0,0,0|2,0,0]=4 4965 B19R2.103503 CC(=O)c1cc(ccc1OC2CCCCC2F)C 34a_100000195442_100015423560 [0,2,0,0,0,0|2,0,0]=4 4966 B19R2.103503 CC(=O)c1cc(ccc1OC2CCCCC2F)Cl 34a_100000185566_100015423560 [0,2,0,0,0,0|2,0,0]=4 4967 B19R2.103503 CC(=O)c1cc(ccc1OC2CCCCC2F)N 34a_100011218865_100015423560 [0,2,0,0,0,0|2,0,0]=4 4968 B19R2.103503 CC(=O)c1cc(ccc1OC2CCCCC2O)Br 34a_100000212127_100000038908 [0,2,0,0,0,0|2,0,0]=4 4969 B19R2.103503 CC(=O)c1cc(ccc1OC2CCCCC2O)C 34a_100000195442_100000038908 [0,2,0,0,0,0|2,0,0]=4 4970 B19R2.103503 CC(=O)c1cc(ccc1OC2CCCCC2O)Cl 34a_100000185566_100000038908 [0,2,0,0,0,0|2,0,0]=4 4971 B19R2.103503 CC(=O)c1cc(ccc1OC2CCCCC2O)N 34a_100011218865_100000038908 [0,2,0,0,0,0|2,0,0]=4 4972 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2F)C 62a_100012361225_100015423560 [0,2,0,0,0,0|2,0,0]=4 4973 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2F)C 62a_100015423560_100012361225 [0,2,0,0,0,0|2,0,0]=4 4974 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2F)F 62a_100012353695_100015423560 [0,2,0,0,0,0|2,0,0]=4 4975 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2F)F 62a_100015423560_100010200798 [0,2,0,0,0,0|2,0,0]=4 4976 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2F)N 62a_100012349454_100015423560 [0,2,0,0,0,0|2,0,0]=4 4977 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2O)Br 62a_100012349576_100000038908 [0,2,0,0,0,0|2,0,0]=4 4978 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2O)C 62a_100000038908_100012361225 [0,2,0,0,0,0|2,0,0]=4 4979 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2O)C 62a_100012361225_100000038908 [0,2,0,0,0,0|2,0,0]=4 4980 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2O)F 62a_100000038908_100010200798 [0,2,0,0,0,0|2,0,0]=4 4981 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2O)F 62a_100012353695_100000038908 [0,2,0,0,0,0|2,0,0]=4 4982 B19R2.103503 CC(=O)c1cc(ccc1SC2CCCCC2O)N 62a_100012349454_100000038908 [0,2,0,0,0,0|2,0,0]=4 4983 B19R2.103503 CC1CCCCC1Nc2ccc(cc2C(=O)N)Br 27a_100000211402_200000162314 [0,2,0,0,0,0|1,0,0]=3 4984 B19R2.103503 CC1CCCCC1Nc2ncc(cc2C(=O)N)F 27a_100000211402_100012183597 [0,2,0,0,0,0|2,0,0]=4 4985 B19R2.103503 Cc1ccc(c(c1)C(=O)N)NC2CCCCC2=O 34a_100011692829_100000754470 [0,2,0,0,0,0|1,0,1]=4 4986 B19R2.103503 Cc1ccc(c(c1)C(=O)N)NC2CCCCC2F 34a_100011692829_100015423560 [0,2,0,0,0,0|1,0,0]=3 4987 B19R2.103503 Cc1ccc(c(c1)C(=O)N)NC2CCCCC2O 34a_100011692829_100000038908 [0,2,0,0,0,0|1,0,0]=3 4988 B19R2.103503 Cc1ccc(c(c1)C(=O)N)OC2CCCCC2F 34a_200000192840_100015423560 [0,2,0,0,0,0|2,0,0]=4 4989 B19R2.103503 Cc1ccc(c(c1)C(=O)N)OC2CCCCC2O 34a_200000192840_100000038908 [0,2,0,0,0,0|2,0,0]=4 4990 B19R2.103503 Cc1ccc(c(c1)C(=O)N)SC2CCCCC2F 62a_100015423560_200012349609 [0,2,0,0,0,0|2,0,0]=4 4991 B19R2.103503 Cc1ccc(c(c1)C(=O)N)SC2CCCCC2F 62a_200012349609_100015423560 [0,2,0,0,0,0|2,0,0]=4 4992 B19R2.103503 Cc1ccc(c(c1)C(=O)N)SC2CCCCC2O 62a_100000038908_200012349609 [0,2,0,0,0,0|2,0,0]=4 4993 B19R2.103503 Cc1ccc(c(c1)C(=O)N)SC2CCCCC2O 62a_200012349609_100000038908 [0,2,0,0,0,0|2,0,0]=4 4994 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2=O)Br 34a_100000740421_100000754470 [0,2,0,0,0,0|1,0,1]=4 4995 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2=O)Br 7a_100000740421_100000204591 [0,2,0,0,0,0|1,0,1]=4 4996 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2=O)Cl 34a_100000743835_100000754470 [0,2,0,0,0,0|1,0,1]=4 4997 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2=O)Cl 7a_100000743835_100000204591 [0,2,0,0,0,0|1,0,1]=4 4998 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2=O)F 34a_100000741173_100000754470 [0,2,0,0,0,0|1,0,1]=4 4999 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2=O)F 7a_100000741173_100000204591 [0,2,0,0,0,0|1,0,1]=4 5000 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2F)Br 34a_100000740421_100015423560 [0,2,0,0,0,0|1,0,0]=3 5001 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2F)Cl 34a_100000743835_100015423560 [0,2,0,0,0,0|1,0,0]=3 5002 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2F)F 34a_100000741173_100015423560 [0,2,0,0,0,0|1,0,0]=3 5003 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2O)Br 34a_100000740421_100000038908 [0,2,0,0,0,0|1,0,0]=3 5004 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2O)Cl 34a_100000743835_100000038908 [0,2,0,0,0,0|1,0,0]=3 5005 B19R2.103503 NC(=O)c1cc(ccc1NC2CCCCC2O)F 34a_100000741173_100000038908 [0,2,0,0,0,0|1,0,0]=3 5006 B19R2.103503 NC(=O)c1cc(ccc1N[C@@H]2CCCC[C@@H]2O)Br 27a_100015191688_200000162314 [0,2,0,0,0,0|1,0,0]=3 5007 B19R2.103503 NC(=O)c1cc(ccc1N[C@@H]2CCCC[C@H]2F)Br 27a_100015195156_200000162314 [0,2,0,0,0,0|1,0,0]=3 5008 B19R2.103503 NC(=O)c1cc(ccc1N[C@@H]2CCOC[C@@H]2O)Br 27a_100016994285_200000162314 [0,2,0,0,0,0|2,0,0]=4 5009 B19R2.103503 NC(=O)c1cc(ccc1N[C@H]2CCOC[C@@H]2F)Br 27a_100016994078_200000162314 [0,2,0,0,0,0|2,0,0]=4 5010 B19R2.103503 NC(=O)c1cc(ccc1N[C@H]2COCC[C@@H]2O)Br 27a_100015739063_200000162314 [0,2,0,0,0,0|2,0,0]=4 5011 B19R2.103503 NC(=O)c1cc(ccc1OC2CCCCC2F)Br 34a_100000192807_100015423560 [0,2,0,0,0,0|2,0,0]=4 5012 B19R2.103503 NC(=O)c1cc(ccc1OC2CCCCC2F)Cl 34a_100000185026_100015423560 [0,2,0,0,0,0|2,0,0]=4 5013 B19R2.103503 NC(=O)c1cc(ccc1OC2CCCCC2F)F 34a_100012186459_100015423560 [0,2,0,0,0,0|2,0,0]=4 5014 B19R2.103503 NC(=O)c1cc(ccc1OC2CCCCC2F)I 34a_100000192813_100015423560 [0,2,0,0,0,0|2,0,0]=4 5015 B19R2.103503 NC(=O)c1cc(ccc1OC2CCCCC2O)Br 34a_100000192807_100000038908 [0,2,0,0,0,0|2,0,0]=4 5016 B19R2.103503 NC(=O)c1cc(ccc1OC2CCCCC2O)Cl 34a_100000185026_100000038908 [0,2,0,0,0,0|2,0,0]=4 5017 B19R2.103503 NC(=O)c1cc(ccc1OC2CCCCC2O)F 34a_100012186459_100000038908 [0,2,0,0,0,0|2,0,0]=4 5018 B19R2.103503 NC(=O)c1cc(ccc1OC2CCCCC2O)I 34a_100000192813_100000038908 [0,2,0,0,0,0|2,0,0]=4 5019 B19R2.103503 NC(=O)c1cc(ccc1SC2CCCCC2F)Br 62a_200000162314_100015423560 [0,2,0,0,0,0|2,0,0]=4 5020 B19R2.103503 NC(=O)c1cc(ccc1SC2CCCCC2F)F 62a_100000206434_100015423560 [0,2,0,0,0,0|2,0,0]=4 5021 B19R2.103503 NC(=O)c1cc(ccc1SC2CCCCC2F)F 62a_100015423560_100000206434 [0,2,0,0,0,0|2,0,0]=4 5022 B19R2.103503 NC(=O)c1cc(ccc1SC2CCCCC2F)N 62a_100015186447_100015423560 [0,2,0,0,0,0|2,0,0]=4 5023 B19R2.103503 NC(=O)c1cc(ccc1SC2CCCCC2O)Br 62a_200000162314_100000038908 [0,2,0,0,0,0|2,0,0]=4 5024 B19R2.103503 NC(=O)c1cc(ccc1SC2CCCCC2O)F 62a_100000038908_100000206434 [0,2,0,0,0,0|2,0,0]=4 5025 B19R2.103503 NC(=O)c1cc(ccc1SC2CCCCC2O)F 62a_100000206434_100000038908 [0,2,0,0,0,0|2,0,0]=4 5026 B19R2.103503 NC(=O)c1cc(ccc1SC2CCCCC2O)N 62a_100015186447_100000038908 [0,2,0,0,0,0|2,0,0]=4 5027 B19R2.103503 NC(=O)c1cc(cnc1N[C@@H]2CCCC[C@@H]2O)F 27a_100015191688_100012183597 [0,2,0,0,0,0|2,0,0]=4 5028 B19R2.103503 NC(=O)c1cc(cnc1N[C@@H]2CCCC[C@H]2F)F 27a_100015195156_100012183597 [0,2,0,0,0,0|2,0,0]=4 5029 B19R2.103503 O=C(O)c1cc(ccc1SC2CCCCC2=O)Br 62a_100011072988_100000204591 [0,2,0,0,0,0|1,0,1]=4 5030 B19R2.103503 O=C(O)c1cc(ccc1SC2CCCCC2F)Br 62a_100011072988_100015423560 [0,2,0,0,0,0|1,0,0]=3 5031 B19R2.103503 O=C(O)c1cc(ccc1SC2CCCCC2O)Br 62a_100011072988_100000038908 [0,2,0,0,0,0|1,0,0]=3 5032 B19R2.103503 O=[N+]([O-])c1cc(ccc1NC2CCCCC2F)F 34a_100000187532_100015423560 [0,2,0,0,0,0|1,0,1]=4 5033 B19R2.103503 O=[N+]([O-])c1cc(ccc1NC2CCCCC2O)F 34a_100000187532_100000038908 [0,2,0,0,0,0|1,0,1]=4 5034 B19R2.111164 C=C(C)c1ccccc1NC2CCCCC2(F)F 34a_100000037685_200009832135 [0,2,0,0,0,0|2,0,0]=4 5035 B19R2.111164 CC(=O)c1ccccc1SC2CCCCC2(F)F 62a_100000751169_200009832135 [0,2,0,0,0,0|2,0,0]=4 5036 B19R2.111164 CC(=O)c1cccnc1NC2CCCCC2(F)F 27a_100000686509_100009816689 [0,2,0,0,0,0|2,0,0]=4 5037 B19R2.111164 CC(=O)c1cnccc1NC2CCCCC2(F)F 27a_100000686509_100160469449 [0,2,0,0,0,0|2,0,0]=4 5038 B19R2.111164 NC(=O)c1ccccc1NC2CCCCC2(F)F 34a_100000185089_200009832135 [0,2,0,0,0,0|1,0,0]=3 5039 B19R2.111164 NC(=O)c1ccccc1OC2CCCCC2(F)F 34a_100000192804_200009832135 [0,2,0,0,0,0|2,0,0]=4 5040 B19R2.111164 NC(=O)c1ccccc1SC2CCCCC2(F)F 62a_100000162227_200009832135 [0,2,0,0,0,0|2,0,0]=4 5041 B19R2.111164 NC(=O)c1ccccc1SC2CCCCC2(F)F 62a_200009832135_100000162227 [0,2,0,0,0,0|2,0,0]=4 5042 B19R2.111164 NC(=O)c1cccnc1NC2CCCCC2(F)F 27a_100000686509_100000162199 [0,2,0,0,0,0|2,0,0]=4 5043 B19R2.111164 NC(=O)c1cnccc1NC2CCCCC2(F)F 27a_100000686509_100000697804 [0,2,0,0,0,0|2,0,0]=4 5044 B19R2.111164 NC(=O)c1ncccc1NC2CCCCC2(F)F 27a_100000686509_200012359670 [0,2,0,0,0,0|2,0,0]=4 5045 B19R2.111164 O=C(O)c1ccccc1SC2CCCCC2(F)F 62a_200009832135_100000734275 [0,2,0,0,0,0|1,0,0]=3 5046 B19R2.111164 O=C(O)c1ccccc1SC2CCCCC2(F)F 62a_202125556159_200009832135 [0,2,0,0,0,0|1,0,0]=3 5047 B19R2.156713 CC(=NO)c1ccccc1OC2CCCCC2F 34a_100000164216_100015423560 [0,2,0,0,0,0|2,0,0]=4 5048 B19R2.156713 CC(=NO)c1ccccc1OC2CCCCC2O 34a_100000164216_100000038908 [0,2,0,0,0,0|2,0,0]=4 5049 B19R2.156713 CNC(=O)c1ccccc1NC2CCCCC2=O 34a_100000185696_100000754470 [0,2,0,0,0,0|1,0,1]=4 5050 B19R2.156713 CNC(=O)c1ccccc1NC2CCCCC2C 27a_100000211402_100000155073 [0,2,0,0,0,0|1,0,0]=3 5051 B19R2.156713 CNC(=O)c1ccccc1NC2CCCCC2F 34a_100000185696_100015423560 [0,2,0,0,0,0|1,0,0]=3 5052 B19R2.156713 CNC(=O)c1ccccc1NC2CCCCC2O 34a_100000185696_100000038908 [0,2,0,0,0,0|1,0,0]=3 5053 B19R2.156713 CNC(=O)c1ccccc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000155073 [0,2,0,0,0,0|1,0,0]=3 5054 B19R2.156713 CNC(=O)c1ccccc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000155073 [0,2,0,0,0,0|1,0,0]=3 5055 B19R2.156713 CNC(=O)c1ccccc1N[C@@H]2CCOC[C@@H]2O 27a_100016994285_100000155073 [0,2,0,0,0,0|2,0,0]=4 5056 B19R2.156713 CNC(=O)c1ccccc1N[C@H]2CCOC[C@@H]2F 27a_100016994078_100000155073 [0,2,0,0,0,0|2,0,0]=4 5057 B19R2.156713 CNC(=O)c1ccccc1N[C@H]2COCC[C@@H]2O 27a_100015739063_100000155073 [0,2,0,0,0,0|2,0,0]=4 5058 B19R2.156713 CNC(=O)c1ccccc1OC2CCCCC2F 34a_100000185920_100015423560 [0,2,0,0,0,0|2,0,0]=4 5059 B19R2.156713 CNC(=O)c1ccccc1OC2CCCCC2O 34a_100000185920_100000038908 [0,2,0,0,0,0|2,0,0]=4 5060 B19R2.156713 CNC(=O)c1ccccc1SC2CCCCC2F 62a_100000155073_100015423560 [0,2,0,0,0,0|2,0,0]=4 5061 B19R2.156713 CNC(=O)c1ccccc1SC2CCCCC2F 62a_100015423560_100000155073 [0,2,0,0,0,0|2,0,0]=4 5062 B19R2.156713 CNC(=O)c1ccccc1SC2CCCCC2O 62a_100000038908_100000155073 [0,2,0,0,0,0|2,0,0]=4 5063 B19R2.156713 CNC(=O)c1ccccc1SC2CCCCC2O 62a_100000155073_100000038908 [0,2,0,0,0,0|2,0,0]=4 5064 B19R2.156713 CNC(=O)c1cccnc1NC2CCCCC2C 27a_100000211402_100000159833 [0,2,0,0,0,0|2,0,0]=4 5065 B19R2.156713 CNC(=O)c1cccnc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000159833 [0,2,0,0,0,0|2,0,0]=4 5066 B19R2.156713 CNC(=O)c1cccnc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000159833 [0,2,0,0,0,0|2,0,0]=4 5067 B19R2.156713 COC(=O)c1ccccc1CN2CCCCC2C 2230a_100000211376_100000744672 [0,2,0,0,0,0|2,0,0]=4 5068 B19R2.156713 COC(=O)c1ccccc1CN2CCCCC2C 269982a_100000211376_100000744672 [0,2,0,0,0,0|2,0,0]=4 5069 B19R2.156713 COC(=O)c1ccccc1CN2CCCCC2C 34a_100000211376_100000744672 [0,2,0,0,0,0|2,0,0]=4 5070 B19R2.156713 COC(=O)c1ccccc1OC2CCCCC2=O 7a_100000150335_100000204591 [0,2,0,0,0,0|1,0,1]=4 5071 B19R2.156713 COC(=O)c1ccccc1SC2CCCCC2=O 62a_100000148710_100000204591 [0,2,0,0,0,0|1,0,1]=4 5072 B19R2.156713 COC(=O)c1ccccc1SC2CCCCC2=O 62a_100000204591_100000148710 [0,2,0,0,0,0|1,0,1]=4 5073 B19R2.156713 COC(=O)c1ccccc1SC2CCCCC2F 62a_100000148710_100015423560 [0,2,0,0,0,0|1,0,0]=3 5074 B19R2.156713 COC(=O)c1ccccc1SC2CCCCC2F 62a_100015423560_100000148710 [0,2,0,0,0,0|1,0,0]=3 5075 B19R2.156713 COC(=O)c1ccccc1SC2CCCCC2O 62a_100000038908_100000148710 [0,2,0,0,0,0|1,0,0]=3 5076 B19R2.156713 COC(=O)c1ccccc1SC2CCCCC2O 62a_100000148710_100000038908 [0,2,0,0,0,0|1,0,0]=3 5077 B19R2.156713 COC(=O)c1cccnc1NC2CCCCC2C 27a_100000211402_100000150852 [0,2,0,0,0,0|1,0,0]=3 5078 B19R2.156713 COC(=O)c1cccnc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000150852 [0,2,0,0,0,0|1,0,0]=3 5079 B19R2.156713 COC(=O)c1cccnc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000150852 [0,2,0,0,0,0|1,0,0]=3 5080 B19R2.156713 COC(=O)c1cccnc1N[C@@H]2CCOC[C@@H]2O 27a_100016994285_100000150852 [0,2,0,0,0,0|2,0,0]=4 5081 B19R2.156713 COC(=O)c1cccnc1N[C@H]2CCOC[C@@H]2F 27a_100016994078_100000150852 [0,2,0,0,0,0|2,0,0]=4 5082 B19R2.156713 COC(=O)c1cccnc1N[C@H]2COCC[C@@H]2O 27a_100015739063_100000150852 [0,2,0,0,0,0|2,0,0]=4 5083 B19R2.156713 COC(=O)c1cccnc1SC2CCCCC2F 62a_100011587185_100015423560 [0,2,0,0,0,0|2,0,0]=4 5084 B19R2.156713 COC(=O)c1cccnc1SC2CCCCC2F 62a_100015423560_100000150852 [0,2,0,0,0,0|2,0,0]=4 5085 B19R2.156713 COC(=O)c1cccnc1SC2CCCCC2O 62a_100000038908_100000150852 [0,2,0,0,0,0|2,0,0]=4 5086 B19R2.156713 COC(=O)c1cccnc1SC2CCCCC2O 62a_100011587185_100000038908 [0,2,0,0,0,0|2,0,0]=4 5087 B19R2.156713 COC(=O)c1ccncc1SC2CCCCC2F 62a_100010008606_100015423560 [0,2,0,0,0,0|2,0,0]=4 5088 B19R2.156713 COC(=O)c1ccncc1SC2CCCCC2F 62a_100015423560_100010008606 [0,2,0,0,0,0|2,0,0]=4 5089 B19R2.156713 COC(=O)c1ccncc1SC2CCCCC2O 62a_100000038908_100010008606 [0,2,0,0,0,0|2,0,0]=4 5090 B19R2.156713 COC(=O)c1ccncc1SC2CCCCC2O 62a_100010008606_100000038908 [0,2,0,0,0,0|2,0,0]=4 5091 B19R2.156713 COC(=O)c1cnccc1SC2CCCCC2F 62a_100015423560_100020629055 [0,2,0,0,0,0|2,0,0]=4 5092 B19R2.156713 COC(=O)c1cnccc1SC2CCCCC2F 62a_100020629055_100015423560 [0,2,0,0,0,0|2,0,0]=4 5093 B19R2.156713 COC(=O)c1cnccc1SC2CCCCC2O 62a_100000038908_100020629055 [0,2,0,0,0,0|2,0,0]=4 5094 B19R2.156713 COC(=O)c1cnccc1SC2CCCCC2O 62a_100020629055_100000038908 [0,2,0,0,0,0|2,0,0]=4 5095 B19R2.156713 COC(=O)c1cncnc1NC2CCCCC2C 27a_100000211402_100000726419 [0,2,0,0,0,0|2,0,0]=4 5096 B19R2.156713 COC(=O)c1cncnc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000726419 [0,2,0,0,0,0|2,0,0]=4 5097 B19R2.156713 COC(=O)c1cncnc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000726419 [0,2,0,0,0,0|2,0,0]=4 5098 B19R2.156713 COC(=O)c1ncccc1OC2CCCCC2F 34a_100000744052_100015423560 [0,2,0,0,0,0|2,0,0]=4 5099 B19R2.156713 COC(=O)c1ncccc1OC2CCCCC2O 34a_100000744052_100000038908 [0,2,0,0,0,0|2,0,0]=4 5100 B19R2.156713 COC(=O)c1ncccc1SC2CCCCC2F 62a_100011935214_100015423560 [0,2,0,0,0,0|2,0,0]=4 5101 B19R2.156713 COC(=O)c1ncccc1SC2CCCCC2F 62a_100015423560_100011935214 [0,2,0,0,0,0|2,0,0]=4 5102 B19R2.156713 COC(=O)c1ncccc1SC2CCCCC2O 62a_100000038908_100011935214 [0,2,0,0,0,0|2,0,0]=4 5103 B19R2.156713 COC(=O)c1ncccc1SC2CCCCC2O 62a_100011935214_100000038908 [0,2,0,0,0,0|2,0,0]=4 5104 B19R2.156713 COC(=O)c1nccnc1NC2CCCCC2C 27a_100000211402_100000079898 [0,2,0,0,0,0|2,0,0]=4 5105 B19R2.156713 COC(=O)c1nccnc1N[C@@H]2CCCC[C@@H]2O 27a_100015191688_100000079898 [0,2,0,0,0,0|2,0,0]=4 5106 B19R2.156713 COC(=O)c1nccnc1N[C@@H]2CCCC[C@H]2F 27a_100015195156_100000079898 [0,2,0,0,0,0|2,0,0]=4 5107 B19R2.156713 NNC(=O)c1ccccc1OC2CCCCC2F 34a_100000186518_100015423560 [0,2,0,0,0,0|2,0,0]=4 5108 B19R2.156713 NNC(=O)c1ccccc1OC2CCCCC2O 34a_100000186518_100000038908 [0,2,0,0,0,0|2,0,0]=4 5109 B19R2.156713 NNC(=O)c1ccccc1SC2CCCCC2F 62a_100000190081_100015423560 [0,2,0,0,0,0|2,0,0]=4 5110 B19R2.156713 NNC(=O)c1ccccc1SC2CCCCC2F 62a_100015423560_100000190081 [0,2,0,0,0,0|2,0,0]=4 5111 B19R2.156713 NNC(=O)c1ccccc1SC2CCCCC2O 62a_100000038908_100000190081 [0,2,0,0,0,0|2,0,0]=4 5112 B19R2.156713 NNC(=O)c1ccccc1SC2CCCCC2O 62a_100000190081_100000038908 [0,2,0,0,0,0|2,0,0]=4 5113 B19R2.156713 O=C(NO)c1ccccc1OC2CCCCC2=O 34a_100000188472_100000754470 [0,2,0,0,0,0|1,0,1]=4 5114 B19R2.156713 O=C(NO)c1ccccc1OC2CCCCC2F 34a_100000188472_100015423560 [0,2,0,0,0,0|1,0,0]=3 5115 B19R2.156713 O=C(NO)c1ccccc1OC2CCCCC2O 34a_100000188472_100000038908 [0,2,0,0,0,0|1,0,0]=3 5116 B19R2.156713 O=C(O[Na])c1ccccc1SC2CCCCC2=O 62a_100000204591_114855342371 [0,2,0,0,0,0|1,0,1]=4 5117 B19R2.156713 O=C(O[Na])c1ccccc1SC2CCCCC2F 62a_100015423560_114855342371 [0,2,0,0,0,0|1,0,0]=3 5118 B19R2.156713 O=C(O[Na])c1ccccc1SC2CCCCC2O 62a_100000038908_114855342371 [0,2,0,0,0,0|1,0,0]=3 5119 B19R2.895 COc1cccc(c1C(=O)C)OC2CCCCC2 34a_100000691520_100000210327 [0,2,0,0,0,0|2,0,0]=4 5120 B19R2.895 COc1cccc(c1C(=O)C)OC2CCCCC2 7a_100000691520_100000210327 [0,2,0,0,0,0|2,0,0]=4 5121 B19R2.895 COc1cccc(c1C(=O)C)SC2CCCCC2 62a_100010725609_100000210327 [0,2,0,0,0,0|2,0,0]=4 5122 B19R2.895 COc1cccc(c1C(=O)N)NC2CCCCC2 34a_200012186629_100000210327 [0,2,0,0,0,0|1,0,0]=3 5123 B19R2.895 COc1cccc(c1C(=O)N)NC2CCCOC2 34a_200012186629_100000693364 [0,2,0,0,0,0|2,0,0]=4 5124 B19R2.895 COc1cccc(c1C(=O)N)NC2CCSCC2 34a_200012186629_100000069128 [0,2,0,0,0,0|2,0,0]=4 5125 B19R2.895 COc1cccc(c1C(=O)N)SC2CCCCC2 62a_200010146778_100000210327 [0,2,0,0,0,0|2,0,0]=4 5126 B19R2.7675 CN(c1cccc(c1C(=O)N)F)C2CCCCC2 27a_100000207522_100011219063 [0,2,0,0,0,0|1,0,0]=3 5127 B19R2.7675 CN(c1cccc(c1C(=O)N)F)C2CCOCC2 27a_100020587155_100011219063 [0,2,0,0,0,0|2,0,0]=4 5128 B19R2.7675 CN(c1cccc(c1C(=O)N)F)C2CCSCC2 27a_100015184757_100011219063 [0,2,0,0,0,0|2,0,0]=4 5129 B19R2.7675 CN(c1cccc(c1[N+](=O)[O-])Br)C2CCCCC2 269982a_100012362474_100000210327 [0,2,0,0,0,0|1,0,1]=4 5130 B19R2.12758 CNC(=O)c1c(cccc1NC2CCCCC2)F 27a_100000182618_100012642803 [0,2,0,0,0,0|1,0,0]=3 5131 B19R2.12758 CNC(=O)c1c(cccc1NC2CCCOC2)F 27a_100000719290_100012642803 [0,2,0,0,0,0|2,0,0]=4 5132 B19R2.12758 CNC(=O)c1c(cccc1NC2CCOCC2)F 27a_100000741149_100012642803 [0,2,0,0,0,0|2,0,0]=4 5133 B19R2.12758 CNC(=O)c1c(cccc1NC2CCSCC2)F 27a_100000748639_100012642803 [0,2,0,0,0,0|2,0,0]=4 5134 B19R2.12758 CNC(=O)c1c(cccc1SC2CCCCC2)F 62a_100000210327_100012642803 [0,2,0,0,0,0|2,0,0]=4 5135 B19R2.12758 CNC(=O)c1c(cccc1SC2CCCCC2)F 62a_100012642803_100000210327 [0,2,0,0,0,0|2,0,0]=4 5136 B19R2.12758 COC(=O)c1c(cccc1OC2CCCCC2)C 34a_100000084604_100000210327 [0,2,0,0,0,0|1,0,0]=3 5137 B19R2.12758 COC(=O)c1c(cccc1OC2CCCCC2)C 7a_100000084604_100000210327 [0,2,0,0,0,0|1,0,0]=3 5138 B19R2.12758 COC(=O)c1c(cccc1OC2CCCCC2)Cl 34a_200000055445_100000210327 [0,2,0,0,0,0|1,0,0]=3 5139 B19R2.12758 COC(=O)c1c(cccc1OC2CCCCC2)Cl 7a_200000055445_100000210327 [0,2,0,0,0,0|1,0,0]=3 5140 B19R2.12758 COC(=O)c1c(cccc1OC2CCCCC2)F 34a_100011216559_100000210327 [0,2,0,0,0,0|1,0,0]=3 5141 B19R2.12758 COC(=O)c1c(cccc1OC2CCCCC2)F 7a_100011216559_100000210327 [0,2,0,0,0,0|1,0,0]=3 5142 B19R2.12758 COC(=O)c1c(cccc1OC2CCCOC2)C 34a_100000084604_100000693364 [0,2,0,0,0,0|2,0,0]=4 5143 B19R2.12758 COC(=O)c1c(cccc1OC2CCCOC2)C 7a_100000084604_100000693364 [0,2,0,0,0,0|2,0,0]=4 5144 B19R2.12758 COC(=O)c1c(cccc1OC2CCCOC2)Cl 34a_200000055445_100000693364 [0,2,0,0,0,0|2,0,0]=4 5145 B19R2.12758 COC(=O)c1c(cccc1OC2CCCOC2)Cl 7a_200000055445_100000693364 [0,2,0,0,0,0|2,0,0]=4 5146 B19R2.12758 COC(=O)c1c(cccc1OC2CCCOC2)F 34a_100011216559_100000693364 [0,2,0,0,0,0|2,0,0]=4 5147 B19R2.12758 COC(=O)c1c(cccc1OC2CCCOC2)F 7a_100011216559_100000693364 [0,2,0,0,0,0|2,0,0]=4 5148 B19R2.12758 COC(=O)c1c(cccc1OC2CCOCC2)C 7a_100000084604_100000686592 [0,2,0,0,0,0|2,0,0]=4 5149 B19R2.12758 COC(=O)c1c(cccc1OC2CCOCC2)Cl 7a_200000055445_100000686592 [0,2,0,0,0,0|2,0,0]=4 5150 B19R2.12758 COC(=O)c1c(cccc1OC2CCOCC2)F 7a_100011216559_100000686592 [0,2,0,0,0,0|2,0,0]=4 5151 B19R2.12758 COC(=O)c1c(cccc1OC2CCSCC2)C 34a_100000084604_100000069128 [0,2,0,0,0,0|2,0,0]=4 5152 B19R2.12758 COC(=O)c1c(cccc1OC2CCSCC2)C 7a_100000084604_100011500858 [0,2,0,0,0,0|2,0,0]=4 5153 B19R2.12758 COC(=O)c1c(cccc1OC2CCSCC2)Cl 34a_200000055445_100000069128 [0,2,0,0,0,0|2,0,0]=4 5154 B19R2.12758 COC(=O)c1c(cccc1OC2CCSCC2)Cl 7a_200000055445_100011500858 [0,2,0,0,0,0|2,0,0]=4 5155 B19R2.12758 COC(=O)c1c(cccc1OC2CCSCC2)F 34a_100011216559_100000069128 [0,2,0,0,0,0|2,0,0]=4 5156 B19R2.12758 COC(=O)c1c(cccc1OC2CCSCC2)F 7a_100011216559_100011500858 [0,2,0,0,0,0|2,0,0]=4 5157 B19R2.12758 COC(=O)c1c(cccc1SC2CCCCC2)Br 62a_100000210327_100010247157 [0,2,0,0,0,0|1,0,0]=3 5158 B19R2.12758 COC(=O)c1c(cccc1SC2CCCCC2)Br 62a_100010247157_100000210327 [0,2,0,0,0,0|1,0,0]=3 5159 B19R2.12758 COC(=O)c1c(cccc1SC2CCCCC2)C 62a_100000210327_100010204206 [0,2,0,0,0,0|1,0,0]=3 5160 B19R2.12758 COC(=O)c1c(cccc1SC2CCCCC2)C 62a_100010204206_100000210327 [0,2,0,0,0,0|1,0,0]=3 5161 B19R2.12758 COC(=O)c1c(cccc1SC2CCCCC2)Cl 62a_100000210327_100010150959 [0,2,0,0,0,0|1,0,0]=3 5162 B19R2.12758 COC(=O)c1c(cccc1SC2CCCCC2)Cl 62a_100010150959_100000210327 [0,2,0,0,0,0|1,0,0]=3 5163 B19R2.12758 COC(=O)c1c(cccc1SC2CCCCC2)F 62a_100000150693_100000210327 [0,2,0,0,0,0|1,0,0]=3 5164 B19R2.12758 COC(=O)c1c(cccc1SC2CCCCC2)F 62a_100000210327_100000150693 [0,2,0,0,0,0|1,0,0]=3 5165 B19R2.12758 COC(=O)c1c(cccc1SC2CCCCC2)N 62a_100010253892_100000210327 [0,2,0,0,0,0|1,0,0]=3 5166 B19R2.12758 COC(=O)c1c(cccc1SC2CCCOC2)Br 62a_100010247157_100000693364 [0,2,0,0,0,0|2,0,0]=4 5167 B19R2.12758 COC(=O)c1c(cccc1SC2CCCOC2)C 62a_100010204206_100000693364 [0,2,0,0,0,0|2,0,0]=4 5168 B19R2.12758 COC(=O)c1c(cccc1SC2CCCOC2)Cl 62a_100010150959_100000693364 [0,2,0,0,0,0|2,0,0]=4 5169 B19R2.12758 COC(=O)c1c(cccc1SC2CCCOC2)F 62a_100000150693_100000693364 [0,2,0,0,0,0|2,0,0]=4 5170 B19R2.12758 COC(=O)c1c(cccc1SC2CCCOC2)N 62a_100010253892_100000693364 [0,2,0,0,0,0|2,0,0]=4 5171 B19R2.12758 COC(=O)c1c(cccc1SC2CCOCC2)Br 62a_100010247157_100011324220 [0,2,0,0,0,0|2,0,0]=4 5172 B19R2.12758 COC(=O)c1c(cccc1SC2CCOCC2)C 62a_100010204206_100011324220 [0,2,0,0,0,0|2,0,0]=4 5173 B19R2.12758 COC(=O)c1c(cccc1SC2CCOCC2)Cl 62a_100010150959_100011324220 [0,2,0,0,0,0|2,0,0]=4 5174 B19R2.12758 COC(=O)c1c(cccc1SC2CCOCC2)F 62a_100000150693_100011324220 [0,2,0,0,0,0|2,0,0]=4 5175 B19R2.12758 COC(=O)c1c(cccc1SC2CCOCC2)N 62a_100010253892_100011324220 [0,2,0,0,0,0|2,0,0]=4 5176 B19R2.12758 COC(=O)c1c(cccc1SC2CCSCC2)Br 62a_100010247157_100000069128 [0,2,0,0,0,0|2,0,0]=4 5177 B19R2.12758 COC(=O)c1c(cccc1SC2CCSCC2)C 62a_100010204206_100000069128 [0,2,0,0,0,0|2,0,0]=4 5178 B19R2.12758 COC(=O)c1c(cccc1SC2CCSCC2)Cl 62a_100010150959_100000069128 [0,2,0,0,0,0|2,0,0]=4 5179 B19R2.12758 COC(=O)c1c(cccc1SC2CCSCC2)F 62a_100000150693_100000069128 [0,2,0,0,0,0|2,0,0]=4 5180 B19R2.12758 COC(=O)c1c(cccc1SC2CCSCC2)N 62a_100010253892_100000069128 [0,2,0,0,0,0|2,0,0]=4 5181 B19R2.12758 COC(=O)c1c(ccnc1Cl)SC2CCCCC2 62a_100000210327_100010138530 [0,2,0,0,0,0|2,0,0]=4 5182 B19R2.12758 COC(=O)c1c(ccnc1F)SC2CCCCC2 62a_100000210327_100010150474 [0,2,0,0,0,0|2,0,0]=4 5183 B19R2.12758 COC(=O)c1c(ccnc1F)SC2CCCCC2 62a_100010150474_100000210327 [0,2,0,0,0,0|2,0,0]=4 5184 B19R2.12758 COC(=O)c1c(ccnc1SC2CCCCC2)F 62a_100000210327_100015560809 [0,2,0,0,0,0|2,0,0]=4 5185 B19R2.12758 COC(=O)c1c(ccnc1SC2CCCCC2)F 62a_100015560809_100000210327 [0,2,0,0,0,0|2,0,0]=4 5186 B19R2.12758 COC(=O)c1c(ccnc1SC2CCCCC2)N 62a_100000210327_100009985557 [0,2,0,0,0,0|2,0,0]=4 5187 B19R2.12758 COC(=O)c1c(cncc1SC2CCCCC2)F 62a_100000210327_100010189632 [0,2,0,0,0,0|2,0,0]=4 5188 B19R2.12758 COC(=O)c1c(cncc1SC2CCCCC2)F 62a_100010189632_100000210327 [0,2,0,0,0,0|2,0,0]=4 5189 B19R2.49649 Cc1c(ccc(c1[N+](=O)[O-])NC2CCCCC2)Cl 34a_200016036588_100000210327 [0,2,0,0,0,0|1,0,1]=4 5190 B19R2.956290 CC1(CCOCC1)Nc2cccc(c2C(=O)N)F 27a_100000692449_100011219063 [0,2,0,0,0,0|2,0,0]=4 5191 B19R2.1076 CC(=O)c1cc(ccc1OC2CCCCC2)C#N 34a_100000074817_100000210327 [0,2,0,0,0,0|2,0,0]=4 5192 B19R2.1076 CC(=O)c1cc(ccc1OC2CCCCC2)C#N 7a_100000074817_100000210327 [0,2,0,0,0,0|2,0,0]=4 5193 B19R2.1076 CCc1ccc(c(c1)C(=O)C)OC2CCCCC2 34a_100000230022_100000210327 [0,2,0,0,0,0|2,0,0]=4 5194 B19R2.1076 CCc1ccc(c(c1)C(=O)C)OC2CCCCC2 7a_100000230022_100000210327 [0,2,0,0,0,0|2,0,0]=4 5195 B19R2.1076 CCc1ccc(c(c1)C(=O)N)NC2CCCCC2 34a_100014932089_100000210327 [0,2,0,0,0,0|1,0,0]=3 5196 B19R2.1076 CCc1ccc(c(c1)C(=O)N)NC2CCCCC2 7a_100014932089_100000210327 [0,2,0,0,0,0|1,0,0]=3 5197 B19R2.1076 CCc1ccc(c(c1)C(=O)N)NC2CCCOC2 34a_100014932089_100000693364 [0,2,0,0,0,0|2,0,0]=4 5198 B19R2.1076 CCc1ccc(c(c1)C(=O)N)NC2CCCOC2 7a_100014932089_100000693364 [0,2,0,0,0,0|2,0,0]=4 5199 B19R2.1076 CCc1ccc(c(c1)C(=O)N)NC2CCOCC2 7a_100014932089_100000686592 [0,2,0,0,0,0|2,0,0]=4 5200 B19R2.1076 CCc1ccc(c(c1)C(=O)N)NC2CCSCC2 34a_100014932089_100000069128 [0,2,0,0,0,0|2,0,0]=4 5201 B19R2.1076 CCc1ccc(c(c1)C(=O)N)NC2CCSCC2 7a_100014932089_100011500858 [0,2,0,0,0,0|2,0,0]=4 5202 B19R2.1076 COc1ccc(c(c1)C(=O)C)OC2CCCCC2 34a_100000211518_100000210327 [0,2,0,0,0,0|2,0,0]=4 5203 B19R2.1076 COc1ccc(c(c1)C(=O)C)OC2CCCCC2 7a_100000211518_100000210327 [0,2,0,0,0,0|2,0,0]=4 5204 B19R2.1076 COc1ccc(c(c1)C(=O)C)SC2CCCCC2 62a_100011360761_100000210327 [0,2,0,0,0,0|2,0,0]=4 5205 B19R2.1076 COc1ccc(c(c1)C(=O)N)NC2CCCCC2 34a_100011380456_100000210327 [0,2,0,0,0,0|1,0,0]=3 5206 B19R2.1076 COc1ccc(c(c1)C(=O)N)NC2CCCOC2 34a_100011380456_100000693364 [0,2,0,0,0,0|2,0,0]=4 5207 B19R2.1076 COc1ccc(c(c1)C(=O)N)NC2CCSCC2 34a_100011380456_100000069128 [0,2,0,0,0,0|2,0,0]=4 5208 B19R2.1076 COc1ccc(c(c1)C(=O)N)SC2CCCCC2 62a_100000162014_100000210327 [0,2,0,0,0,0|2,0,0]=4 5209 B19R2.1076 N#Cc1ccc(c(c1)[N+](=O)[O-])NC2CCCCC2 7a_100000210007_100000210327 [0,2,0,0,0,0|1,0,1]=4 5210 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCCCC2 269982a_200010114593_100000210327 [0,2,0,0,0,0|1,0,0]=3 5211 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCCCC2 27a_100000207522_200000162314 [0,2,0,0,0,0|1,0,0]=3 5212 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCCCC2 34a_200010114593_100000210327 [0,2,0,0,0,0|1,0,0]=3 5213 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCCOC2 269982a_200010114593_100000693364 [0,2,0,0,0,0|2,0,0]=4 5214 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCCOC2 34a_200010114593_100000693364 [0,2,0,0,0,0|2,0,0]=4 5215 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCOCC2 269982a_200010114593_100011324220 [0,2,0,0,0,0|2,0,0]=4 5216 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCOCC2 27a_100020587155_200000162314 [0,2,0,0,0,0|2,0,0]=4 5217 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCSCC2 269982a_200010114593_100000069128 [0,2,0,0,0,0|2,0,0]=4 5218 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCSCC2 27a_100015184757_200000162314 [0,2,0,0,0,0|2,0,0]=4 5219 B19R2.4542 CN(c1ccc(cc1C(=O)N)Br)C2CCSCC2 34a_200010114593_100000069128 [0,2,0,0,0,0|2,0,0]=4 5220 B19R2.4542 CN(c1ccc(cc1[N+](=O)[O-])Br)C2CCCCC2 269982a_100000752019_100000210327 [0,2,0,0,0,0|1,0,1]=4 5221 B19R2.4542 CN(c1ccc(cc1[N+](=O)[O-])Cl)C2CCCCC2 269982a_100000156513_100000210327 [0,2,0,0,0,0|1,0,1]=4 5222 B19R2.4542 CN(c1ccc(cc1[N+](=O)[O-])F)C2CCCCC2 269982a_100000197360_100000210327 [0,2,0,0,0,0|1,0,1]=4 5223 B19R2.4542 CN(c1ccc(cc1[N+](=O)[O-])F)C2CCCCC2 34a_100000197360_100000210327 [0,2,0,0,0,0|1,0,1]=4 5224 B19R2.4542 CN(c1ncc(cc1C(=O)N)F)C2CCCCC2 27a_100000207522_100012183597 [0,2,0,0,0,0|2,0,0]=4 5225 B19R2.4544 CS(=O)(=O)c1cc(ccc1NC2CCCCC2)Br 34a_100000692581_100000210327 [0,2,0,0,0,0|1,0,1]=4 5226 B19R2.4544 CS(=O)(=O)c1cc(ccc1NC2CCCCC2)Br 7a_100000692581_100000210327 [0,2,0,0,0,0|1,0,1]=4 5227 B19R2.4544 CS(=O)(=O)c1cc(ccc1NC2CCCCC2)F 34a_100011661272_100000210327 [0,2,0,0,0,0|1,0,1]=4 5228 B19R2.4544 CS(=O)(=O)c1cc(ccc1NC2CCCCC2)F 7a_100011661272_100000210327 [0,2,0,0,0,0|1,0,1]=4 5229 B19R2.4544 Cc1ccc(c(c1)P(=O)(C)C)NC2CCCCC2 34a_202126155009_100000210327 [0,2,0,0,0,0|2,0,0]=4 5230 B19R2.4544 Cc1ccc(c(c1)P(=O)(C)C)NC2CCCCC2 7a_202126155009_100000210327 [0,2,0,0,0,0|2,0,0]=4 5231 B19R2.4544 Cc1ccc(c(c1)S(=O)(=O)N)NC2CCCCC2 34a_100000076701_100000210327 [0,2,0,0,0,0|1,0,1]=4 5232 B19R2.4544 NS(=O)(=O)c1cc(ccc1NC2CCCCC2)Br 34a_100011388931_100000210327 [0,2,0,0,0,0|1,0,1]=4 5233 B19R2.4544 NS(=O)(=O)c1cc(ccc1NC2CCCCC2)Cl 34a_100011290893_100000210327 [0,2,0,0,0,0|1,0,1]=4 5234 B19R2.4544 NS(=O)(=O)c1cc(ccc1NC2CCCCC2)F 34a_100011388930_100000210327 [0,2,0,0,0,0|1,0,1]=4 5235 B19R2.12447 CCC(=O)c1cc(ccc1OC2CCCCC2)Br 7a_100000183607_100000210327 [0,2,0,0,0,0|2,0,0]=4 5236 B19R2.12447 CCC(=O)c1cc(ccc1OC2CCCCC2)C 7a_100000183590_100000210327 [0,2,0,0,0,0|2,0,0]=4 5237 B19R2.12447 CCC(=O)c1cc(ccc1OC2CCCCC2)Cl 7a_100000181482_100000210327 [0,2,0,0,0,0|2,0,0]=4 5238 B19R2.12447 CCC(=O)c1cc(ccc1OC2CCCCC2)F 34a_100000183209_100000210327 [0,2,0,0,0,0|2,0,0]=4 5239 B19R2.12447 CCC(=O)c1cc(ccc1OC2CCCCC2)F 7a_100000183209_100000210327 [0,2,0,0,0,0|2,0,0]=4 5240 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCCCC2)Br 34a_100000690504_100000210327 [0,2,0,0,0,0|1,0,0]=3 5241 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCCCC2)Cl 27a_100000182618_200011279454 [0,2,0,0,0,0|1,0,0]=3 5242 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCCCC2)Cl 34a_100000739363_100000210327 [0,2,0,0,0,0|1,0,0]=3 5243 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCCCC2)F 27a_100000182618_200000206232 [0,2,0,0,0,0|1,0,0]=3 5244 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCCOC2)Br 34a_100000690504_100000693364 [0,2,0,0,0,0|2,0,0]=4 5245 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCCOC2)Cl 27a_100000719290_200011279454 [0,2,0,0,0,0|2,0,0]=4 5246 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCCOC2)Cl 34a_100000739363_100000693364 [0,2,0,0,0,0|2,0,0]=4 5247 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCCOC2)F 27a_100000719290_200000206232 [0,2,0,0,0,0|2,0,0]=4 5248 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCOCC2)Cl 27a_100000741149_200011279454 [0,2,0,0,0,0|2,0,0]=4 5249 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCOCC2)F 27a_100000741149_200000206232 [0,2,0,0,0,0|2,0,0]=4 5250 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCSCC2)Br 34a_100000690504_100000069128 [0,2,0,0,0,0|2,0,0]=4 5251 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCSCC2)Cl 27a_100000748639_200011279454 [0,2,0,0,0,0|2,0,0]=4 5252 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCSCC2)Cl 34a_100000739363_100000069128 [0,2,0,0,0,0|2,0,0]=4 5253 B19R2.12447 CNC(=O)c1cc(ccc1NC2CCSCC2)F 27a_100000748639_200000206232 [0,2,0,0,0,0|2,0,0]=4 5254 B19R2.12447 CNC(=O)c1cc(ccc1SC2CCCCC2)Cl 62a_100000210327_200011279454 [0,2,0,0,0,0|2,0,0]=4 5255 B19R2.12447 CNC(=O)c1cc(ccc1SC2CCCCC2)Cl 62a_200011279454_100000210327 [0,2,0,0,0,0|2,0,0]=4 5256 B19R2.12447 CNC(=O)c1cc(ccc1SC2CCCCC2)F 62a_100000210327_200000206232 [0,2,0,0,0,0|2,0,0]=4 5257 B19R2.12447 CNC(=O)c1cc(ccc1SC2CCCCC2)F 62a_200000206232_100000210327 [0,2,0,0,0,0|2,0,0]=4 5258 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)Br 34a_100000149267_100000210327 [0,2,0,0,0,0|1,0,0]=3 5259 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)Br 7a_100000149267_100000210327 [0,2,0,0,0,0|1,0,0]=3 5260 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)C 34a_100000216618_100000210327 [0,2,0,0,0,0|1,0,0]=3 5261 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)C 7a_100000216618_100000210327 [0,2,0,0,0,0|1,0,0]=3 5262 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)Cl 34a_100000149278_100000210327 [0,2,0,0,0,0|1,0,0]=3 5263 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)Cl 7a_100000149278_100000210327 [0,2,0,0,0,0|1,0,0]=3 5264 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)F 34a_100011219540_100000210327 [0,2,0,0,0,0|1,0,0]=3 5265 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)F 7a_100011219540_100000210327 [0,2,0,0,0,0|1,0,0]=3 5266 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)I 34a_100000149868_100000210327 [0,2,0,0,0,0|1,0,0]=3 5267 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)I 7a_100000149868_100000210327 [0,2,0,0,0,0|1,0,0]=3 5268 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)N 34a_100011246163_100000210327 [0,2,0,0,0,0|1,0,0]=3 5269 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCCC2)N 7a_100011246163_100000210327 [0,2,0,0,0,0|1,0,0]=3 5270 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)Br 34a_100000149267_100000693364 [0,2,0,0,0,0|2,0,0]=4 5271 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)Br 7a_100000149267_100000693364 [0,2,0,0,0,0|2,0,0]=4 5272 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)C 34a_100000216618_100000693364 [0,2,0,0,0,0|2,0,0]=4 5273 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)C 7a_100000216618_100000693364 [0,2,0,0,0,0|2,0,0]=4 5274 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)Cl 34a_100000149278_100000693364 [0,2,0,0,0,0|2,0,0]=4 5275 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)Cl 7a_100000149278_100000693364 [0,2,0,0,0,0|2,0,0]=4 5276 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)F 34a_100011219540_100000693364 [0,2,0,0,0,0|2,0,0]=4 5277 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)F 7a_100011219540_100000693364 [0,2,0,0,0,0|2,0,0]=4 5278 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)I 34a_100000149868_100000693364 [0,2,0,0,0,0|2,0,0]=4 5279 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)I 7a_100000149868_100000693364 [0,2,0,0,0,0|2,0,0]=4 5280 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)N 34a_100011246163_100000693364 [0,2,0,0,0,0|2,0,0]=4 5281 B19R2.12447 COC(=O)c1cc(ccc1OC2CCCOC2)N 7a_100011246163_100000693364 [0,2,0,0,0,0|2,0,0]=4 5282 B19R2.12447 COC(=O)c1cc(ccc1OC2CCOCC2)Br 7a_100000149267_100000686592 [0,2,0,0,0,0|2,0,0]=4 5283 B19R2.12447 COC(=O)c1cc(ccc1OC2CCOCC2)C 7a_100000216618_100000686592 [0,2,0,0,0,0|2,0,0]=4 5284 B19R2.12447 COC(=O)c1cc(ccc1OC2CCOCC2)Cl 7a_100000149278_100000686592 [0,2,0,0,0,0|2,0,0]=4 5285 B19R2.12447 COC(=O)c1cc(ccc1OC2CCOCC2)F 7a_100011219540_100000686592 [0,2,0,0,0,0|2,0,0]=4 5286 B19R2.12447 COC(=O)c1cc(ccc1OC2CCOCC2)I 7a_100000149868_100000686592 [0,2,0,0,0,0|2,0,0]=4 5287 B19R2.12447 COC(=O)c1cc(ccc1OC2CCOCC2)N 7a_100011246163_100000686592 [0,2,0,0,0,0|2,0,0]=4 5288 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)Br 34a_100000149267_100000069128 [0,2,0,0,0,0|2,0,0]=4 5289 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)Br 7a_100000149267_100011500858 [0,2,0,0,0,0|2,0,0]=4 5290 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)C 34a_100000216618_100000069128 [0,2,0,0,0,0|2,0,0]=4 5291 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)C 7a_100000216618_100011500858 [0,2,0,0,0,0|2,0,0]=4 5292 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)Cl 34a_100000149278_100000069128 [0,2,0,0,0,0|2,0,0]=4 5293 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)Cl 7a_100000149278_100011500858 [0,2,0,0,0,0|2,0,0]=4 5294 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)F 34a_100011219540_100000069128 [0,2,0,0,0,0|2,0,0]=4 5295 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)F 7a_100011219540_100011500858 [0,2,0,0,0,0|2,0,0]=4 5296 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)I 34a_100000149868_100000069128 [0,2,0,0,0,0|2,0,0]=4 5297 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)I 7a_100000149868_100011500858 [0,2,0,0,0,0|2,0,0]=4 5298 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)N 34a_100011246163_100000069128 [0,2,0,0,0,0|2,0,0]=4 5299 B19R2.12447 COC(=O)c1cc(ccc1OC2CCSCC2)N 7a_100011246163_100011500858 [0,2,0,0,0,0|2,0,0]=4 5300 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)Br 62a_100000148213_100000210327 [0,2,0,0,0,0|1,0,0]=3 5301 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)Br 62a_100000210327_100000148213 [0,2,0,0,0,0|1,0,0]=3 5302 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)C 62a_100000210327_100012339458 [0,2,0,0,0,0|1,0,0]=3 5303 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)C 62a_100012339458_100000210327 [0,2,0,0,0,0|1,0,0]=3 5304 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)Cl 62a_100000210327_100011294804 [0,2,0,0,0,0|1,0,0]=3 5305 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)Cl 62a_100011294804_100000210327 [0,2,0,0,0,0|1,0,0]=3 5306 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)F 62a_100000205820_100000210327 [0,2,0,0,0,0|1,0,0]=3 5307 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)F 62a_100000210327_100000205820 [0,2,0,0,0,0|1,0,0]=3 5308 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)N 62a_100000210327_100011794239 [0,2,0,0,0,0|1,0,0]=3 5309 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)N 62a_100000696289_100000210327 [0,2,0,0,0,0|1,0,0]=3 5310 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)O 62a_100000210327_100010230369 [0,2,0,0,0,0|1,0,0]=3 5311 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCCC2)O 62a_100010230369_100000210327 [0,2,0,0,0,0|1,0,0]=3 5312 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCOC2)Br 62a_100000148213_100000693364 [0,2,0,0,0,0|2,0,0]=4 5313 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCOC2)C 62a_100012339458_100000693364 [0,2,0,0,0,0|2,0,0]=4 5314 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCOC2)Cl 62a_100011294804_100000693364 [0,2,0,0,0,0|2,0,0]=4 5315 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCOC2)F 62a_100000205820_100000693364 [0,2,0,0,0,0|2,0,0]=4 5316 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCOC2)N 62a_100000696289_100000693364 [0,2,0,0,0,0|2,0,0]=4 5317 B19R2.12447 COC(=O)c1cc(ccc1SC2CCCOC2)O 62a_100010230369_100000693364 [0,2,0,0,0,0|2,0,0]=4 5318 B19R2.12447 COC(=O)c1cc(ccc1SC2CCOCC2)Br 62a_100000148213_100011324220 [0,2,0,0,0,0|2,0,0]=4 5319 B19R2.12447 COC(=O)c1cc(ccc1SC2CCOCC2)C 62a_100012339458_100011324220 [0,2,0,0,0,0|2,0,0]=4 5320 B19R2.12447 COC(=O)c1cc(ccc1SC2CCOCC2)Cl 62a_100011294804_100011324220 [0,2,0,0,0,0|2,0,0]=4 5321 B19R2.12447 COC(=O)c1cc(ccc1SC2CCOCC2)F 62a_100000205820_100011324220 [0,2,0,0,0,0|2,0,0]=4 5322 B19R2.12447 COC(=O)c1cc(ccc1SC2CCOCC2)N 62a_100000696289_100011324220 [0,2,0,0,0,0|2,0,0]=4 5323 B19R2.12447 COC(=O)c1cc(ccc1SC2CCOCC2)O 62a_100010230369_100011324220 [0,2,0,0,0,0|2,0,0]=4 5324 B19R2.12447 COC(=O)c1cc(ccc1SC2CCSCC2)Br 62a_100000148213_100000069128 [0,2,0,0,0,0|2,0,0]=4 5325 B19R2.12447 COC(=O)c1cc(ccc1SC2CCSCC2)C 62a_100012339458_100000069128 [0,2,0,0,0,0|2,0,0]=4 5326 B19R2.12447 COC(=O)c1cc(ccc1SC2CCSCC2)Cl 62a_100011294804_100000069128 [0,2,0,0,0,0|2,0,0]=4 5327 B19R2.12447 COC(=O)c1cc(ccc1SC2CCSCC2)F 62a_100000205820_100000069128 [0,2,0,0,0,0|2,0,0]=4 5328 B19R2.12447 COC(=O)c1cc(ccc1SC2CCSCC2)N 62a_100000696289_100000069128 [0,2,0,0,0,0|2,0,0]=4 5329 B19R2.12447 COC(=O)c1cc(ccc1SC2CCSCC2)O 62a_100010230369_100000069128 [0,2,0,0,0,0|2,0,0]=4 5330 B19R2.12447 COC(=O)c1cc(cnc1NC2CCCCC2)C 27a_100000182618_100000085774 [0,2,0,0,0,0|1,0,0]=3 5331 B19R2.12447 COC(=O)c1cc(cnc1NC2CCCOC2)C 27a_100000719290_100000085774 [0,2,0,0,0,0|2,0,0]=4 5332 B19R2.12447 COC(=O)c1cc(cnc1NC2CCOCC2)C 27a_100000741149_100000085774 [0,2,0,0,0,0|2,0,0]=4 5333 B19R2.12447 COC(=O)c1cc(cnc1NC2CCSCC2)C 27a_100000748639_100000085774 [0,2,0,0,0,0|2,0,0]=4 5334 B19R2.12447 COC(=O)c1cc(cnc1SC2CCCCC2)C 62a_100000210327_100000085774 [0,2,0,0,0,0|2,0,0]=4 5335 B19R2.12447 COC(=O)c1cc(cnc1SC2CCCCC2)C 62a_100010162703_100000210327 [0,2,0,0,0,0|2,0,0]=4 5336 B19R2.12447 COC(=O)c1cc(cnc1SC2CCCCC2)F 62a_100000210327_100012000215 [0,2,0,0,0,0|2,0,0]=4 5337 B19R2.12447 COC(=O)c1cc(cnc1SC2CCCCC2)F 62a_100012000215_100000210327 [0,2,0,0,0,0|2,0,0]=4 5338 B19R2.12447 COC(=O)c1cc(cnc1SC2CCCCC2)N 62a_100000210327_200012182668 [0,2,0,0,0,0|2,0,0]=4 5339 B19R2.12447 COC(=O)c1cc(cnc1SC2CCCCC2)N 62a_200012182668_100000210327 [0,2,0,0,0,0|2,0,0]=4 5340 B19R2.12447 COC(=O)c1cc(ncc1OC2CCCCC2)Br 34a_100010136202_100000210327 [0,2,0,0,0,0|2,0,0]=4 5341 B19R2.12447 COC(=O)c1cc(ncc1OC2CCCCC2)Br 7a_100010136202_100000210327 [0,2,0,0,0,0|2,0,0]=4 5342 B19R2.12447 COC(=O)c1cc(ncc1SC2CCCCC2)N 62a_100000210327_100011934820 [0,2,0,0,0,0|2,0,0]=4 5343 B19R2.12447 COC(=O)c1cc(ncc1SC2CCCCC2)N 62a_100011934820_100000210327 [0,2,0,0,0,0|2,0,0]=4 5344 B19R2.12447 COC(=O)c1cc(ncc1SC2CCCCC2)O 62a_100000210327_100009816900 [0,2,0,0,0,0|2,0,0]=4 5345 B19R2.12447 COC(=O)c1cc(ncc1SC2CCCCC2)O 62a_100009816900_100000210327 [0,2,0,0,0,0|2,0,0]=4 5346 B19R2.12447 COC(=O)c1nc(ccc1OC2CCCCC2)Br 34a_100000697862_100000210327 [0,2,0,0,0,0|2,0,0]=4 5347 B19R2.12447 COC(=O)c1nc(ccc1OC2CCCCC2)Br 7a_100000697862_100000210327 [0,2,0,0,0,0|2,0,0]=4 5348 B19R2.12447 COC(=O)c1nc(ccc1OC2CCCCC2)C 34a_100009869402_100000210327 [0,2,0,0,0,0|2,0,0]=4 5349 B19R2.12447 COC(=O)c1nc(ccc1OC2CCCCC2)C 7a_100009869402_100000210327 [0,2,0,0,0,0|2,0,0]=4 5350 B19R2.12447 COC(=O)c1nc(ccc1SC2CCCCC2)N 62a_100009816986_100000210327 [0,2,0,0,0,0|2,0,0]=4 5351 B19R2.12447 Cc1ccc(c(c1)C(=O)NN)OC2CCCCC2 34a_200000193374_100000210327 [0,2,0,0,0,0|2,0,0]=4 5352 B19R2.12447 NNC(=O)c1cc(ccc1OC2CCCCC2)Br 34a_100000193350_100000210327 [0,2,0,0,0,0|2,0,0]=4 5353 B19R2.12447 NNC(=O)c1cc(ccc1SC2CCCCC2)F 62a_100000205862_100000210327 [0,2,0,0,0,0|2,0,0]=4 5354 B19R2.12447 NNC(=O)c1cc(ccc1SC2CCCCC2)F 62a_100000210327_100000205862 [0,2,0,0,0,0|2,0,0]=4 5355 B19R2.12447 O=C(CBr)c1cc(ccc1OC2CCCCC2)Br 7a_200009828000_100000210327 [0,2,0,0,0,0|2,0,0]=4 5356 B19R2.12447 O=C(CBr)c1cc(ccc1OC2CCCCC2)Cl 7a_200009816716_100000210327 [0,2,0,0,0,0|2,0,0]=4 5357 B19R2.12447 O=C(CBr)c1cc(ccc1OC2CCCCC2)F 7a_100009814381_100000210327 [0,2,0,0,0,0|2,0,0]=4 5358 B19R2.12447 O=C(CCl)c1cc(ccc1OC2CCCCC2)F 7a_100000047744_100000210327 [0,2,0,0,0,0|2,0,0]=4 5359 B19R2.12447 O=C(NO)c1cc(ccc1OC2CCCCC2)Cl 34a_100000199126_100000210327 [0,2,0,0,0,0|1,0,0]=3 5360 B19R2.12447 O=C(NO)c1cc(ccc1OC2CCCOC2)Cl 34a_100000199126_100000693364 [0,2,0,0,0,0|2,0,0]=4 5361 B19R2.12447 O=C(NO)c1cc(ccc1OC2CCSCC2)Cl 34a_100000199126_100000069128 [0,2,0,0,0,0|2,0,0]=4 5362 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)Br)C 7a_100011659362_100000210327 [0,2,0,0,0,0|2,0,0]=4 5363 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)C)C 34a_100000188341_100000210327 [0,2,0,0,0,0|2,0,0]=4 5364 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)C)C 7a_100000188341_100000210327 [0,2,0,0,0,0|2,0,0]=4 5365 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)Cl)C 34a_100010659243_100000210327 [0,2,0,0,0,0|2,0,0]=4 5366 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)Cl)C 7a_100010659243_100000210327 [0,2,0,0,0,0|2,0,0]=4 5367 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)Cl)Cl 7a_100000182809_100000210327 [0,2,0,0,0,0|2,0,0]=4 5368 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)Cl)F 34a_100011659368_100000210327 [0,2,0,0,0,0|2,0,0]=4 5369 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)Cl)F 7a_100011659368_100000210327 [0,2,0,0,0,0|2,0,0]=4 5370 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)F)F 34a_100000751779_100000210327 [0,2,0,0,0,0|2,0,0]=4 5371 B19R2.17420 CC(=O)c1cc(cc(c1OC2CCCCC2)F)F 7a_100000751779_100000210327 [0,2,0,0,0,0|2,0,0]=4 5372 B19R2.17420 Cc1cc(cc(c1NC2CCCCC2)C(=O)N)Cl 34a_200000101212_100000210327 [0,2,0,0,0,0|1,0,0]=3 5373 B19R2.17420 Cc1cc(cc(c1NC2CCCCC2)C(=O)N)Cl 7a_200000101212_100000210327 [0,2,0,0,0,0|1,0,0]=3 5374 B19R2.17420 Cc1cc(cc(c1NC2CCCOC2)C(=O)N)Cl 34a_200000101212_100000693364 [0,2,0,0,0,0|2,0,0]=4 5375 B19R2.17420 Cc1cc(cc(c1NC2CCCOC2)C(=O)N)Cl 7a_200000101212_100000693364 [0,2,0,0,0,0|2,0,0]=4 5376 B19R2.17420 Cc1cc(cc(c1NC2CCOCC2)C(=O)N)Cl 7a_200000101212_100000686592 [0,2,0,0,0,0|2,0,0]=4 5377 B19R2.17420 Cc1cc(cc(c1NC2CCSCC2)C(=O)N)Cl 34a_200000101212_100000069128 [0,2,0,0,0,0|2,0,0]=4 5378 B19R2.17420 Cc1cc(cc(c1NC2CCSCC2)C(=O)N)Cl 7a_200000101212_100011500858 [0,2,0,0,0,0|2,0,0]=4 5379 B19R2.17420 NC(=O)c1cc(cc(c1OC2CCCCC2)Br)Br 34a_200009812496_100000210327 [0,2,0,0,0,0|2,0,0]=4 5380 B19R2.17420 NC(=O)c1cc(cc(c1OC2CCCCC2)Br)Br 7a_200009812496_100000210327 [0,2,0,0,0,0|2,0,0]=4 5381 B19R2.17420 NC(=O)c1cc(cc(c1OC2CCCCC2)I)F 34a_200135271384_100000210327 [0,2,0,0,0,0|2,0,0]=4 5382 B19R2.17420 NC(=O)c1cc(cc(c1OC2CCCCC2)I)F 7a_200135271384_100000210327 [0,2,0,0,0,0|2,0,0]=4 5383 B19R2.17420 O=[N+]([O-])c1cc(cc(c1NC2CCCCC2)F)F 34a_100000685770_100000210327 [0,2,0,0,0,0|1,0,1]=4 5384 B19R2.968990 CC1(CCOCC1)Nc2ccc(cc2C(=O)N)Br 27a_100000692449_200000162314 [0,2,0,0,0,0|2,0,0]=4 5385 B19R2.2131 CCN(c1ccccc1[N+](=O)[O-])C2CCCCC2 2230a_100000251146_100000210202 [0,2,0,0,0,0|1,0,1]=4 5386 B19R2.2131 CCN(c1ccccc1[N+](=O)[O-])C2CCCCC2 269982a_100000156562_100000210327 [0,2,0,0,0,0|1,0,1]=4 5387 B19R2.2131 CCN(c1ccccc1[N+](=O)[O-])C2CCCCC2 269982a_100000251146_100000204670 [0,2,0,0,0,0|1,0,1]=4 5388 B19R2.2131 CCN(c1ccccc1[N+](=O)[O-])C2CCCCC2 34a_100000251146_100000210202 [0,2,0,0,0,0|1,0,1]=4 5389 B19R2.2131 CCN(c1ccccc1[N+](=O)[O-])C2CCCCC2 7a_100000251146_100000210202 [0,2,0,0,0,0|1,0,1]=4 5390 B19R2.2131 CCN(c1cccnc1C(=O)N)C2CCCCC2 27a_100000201195_200012359670 [0,2,0,0,0,0|2,0,0]=4 5391 B19R2.2131 CCN(c1ccncc1C(=O)C)C2CCCCC2 27a_100000201195_100160469449 [0,2,0,0,0,0|2,0,0]=4 5392 B19R2.2131 CCN(c1ccncc1C(=O)N)C2CCCCC2 27a_100000201195_100000697804 [0,2,0,0,0,0|2,0,0]=4 5393 B19R2.2131 CCN(c1ncccc1C(=O)C)C2CCCCC2 27a_100000201195_100009816689 [0,2,0,0,0,0|2,0,0]=4 5394 B19R2.2131 CCN(c1ncccc1C(=O)N)C2CCCCC2 27a_100000201195_100000162199 [0,2,0,0,0,0|2,0,0]=4 5395 B19R2.2131 O=[N+]([O-])c1ccccc1N(CF)C2CCCCC2 269982a_100000251146_100015361967 [0,2,0,0,0,0|1,0,1]=4 5396 B19R2.2131 O=[N+]([O-])c1ccccc1N(CF)C2CCCCC2 34a_100000251146_100015361967 [0,2,0,0,0,0|1,0,1]=4 5397 B19R2.2131 O=[N+]([O-])c1ccccc1N(CF)C2CCCCC2 7a_100000251146_100015361967 [0,2,0,0,0,0|1,0,1]=4 5398 B19R2.12761 CNC(=O)c1ccccc1N(C)C2CCCCC2 27a_100000207522_100000155073 [0,2,0,0,0,0|1,0,0]=3 5399 B19R2.12761 CNC(=O)c1ccccc1N(C)C2CCOCC2 27a_100020587155_100000155073 [0,2,0,0,0,0|2,0,0]=4 5400 B19R2.12761 CNC(=O)c1ccccc1N(C)C2CCSCC2 27a_100015184757_100000155073 [0,2,0,0,0,0|2,0,0]=4 5401 B19R2.12761 CNC(=O)c1cccnc1N(C)C2CCCCC2 27a_100000207522_100000159833 [0,2,0,0,0,0|2,0,0]=4 5402 B19R2.12761 COC(=O)c1ccccc1C(=O)C2CCCCC2 1458a_100011215673_100000210327 [0,2,0,0,0,0|1,0,0]=3 5403 B19R2.12761 COC(=O)c1ccccc1C(=O)C2CCCOC2 1458a_100011215673_100000693364 [0,2,0,0,0,0|2,0,0]=4 5404 B19R2.12761 COC(=O)c1ccccc1C(=O)C2CCOCC2 1458a_100011215673_100011324220 [0,2,0,0,0,0|2,0,0]=4 5405 B19R2.12761 COC(=O)c1ccccc1N(C)C2C=CCCC2 269982a_100000170468_100000751183 [0,2,0,0,0,0|0,0,2]=4 5406 B19R2.12761 COC(=O)c1ccccc1N(C)C2CCCCC2 269982a_100000170468_100000210327 [0,2,0,0,0,0|0,0,0]=2 5407 B19R2.12761 COC(=O)c1ccccc1N(C)C2CCCCC2 34a_100000170468_100000210327 [0,2,0,0,0,0|0,0,0]=2 5408 B19R2.12761 COC(=O)c1ccccc1N(C)C2CCCOC2 269982a_100000170468_100000693364 [0,2,0,0,0,0|1,0,0]=3 5409 B19R2.12761 COC(=O)c1ccccc1N(C)C2CCCOC2 34a_100000170468_100000693364 [0,2,0,0,0,0|1,0,0]=3 5410 B19R2.12761 COC(=O)c1ccccc1N(C)C2CCOCC2 269982a_100000170468_100011324220 [0,2,0,0,0,0|1,0,0]=3 5411 B19R2.12761 COC(=O)c1ccccc1N(C)C2CCSCC2 269982a_100000170468_100000069128 [0,2,0,0,0,0|1,0,0]=3 5412 B19R2.12761 COC(=O)c1ccccc1N(C)C2CCSCC2 34a_100000170468_100000069128 [0,2,0,0,0,0|1,0,0]=3 5413 B19R2.12761 COC(=O)c1cccnc1N(C)C2CCCCC2 27a_100000207522_100000150852 [0,2,0,0,0,0|1,0,0]=3 5414 B19R2.12761 COC(=O)c1cccnc1N(C)C2CCOCC2 27a_100020587155_100000150852 [0,2,0,0,0,0|2,0,0]=4 5415 B19R2.12761 COC(=O)c1cccnc1N(C)C2CCSCC2 27a_100015184757_100000150852 [0,2,0,0,0,0|2,0,0]=4 5416 B19R2.12761 COC(=O)c1cncnc1N(C)C2CCCCC2 27a_100000207522_100000726419 [0,2,0,0,0,0|2,0,0]=4 5417 B19R2.12761 COC(=O)c1nccnc1N(C)C2CCCCC2 27a_100000207522_100000079898 [0,2,0,0,0,0|2,0,0]=4 5418 B19R2.101141 CN(c1c(cccc1[N+](=O)[O-])Br)C2CCCCC2 269982a_100011093391_100000210327 [0,2,0,0,0,0|1,0,1]=4 5419 B19R2.101141 CN(c1c(cccc1[N+](=O)[O-])Cl)C2CCCCC2 269982a_200011606563_100000210327 [0,2,0,0,0,0|1,0,1]=4 5420 B19R2.101141 CN(c1c(cccc1[N+](=O)[O-])F)C2CCCCC2 269982a_200012281166_100000210327 [0,2,0,0,0,0|1,0,1]=4 5421 B19R2.101141 CN(c1c(cccc1[N+](=O)[O-])F)C2CCCCC2 34a_200012281166_100000210327 [0,2,0,0,0,0|1,0,1]=4 5422 B19R2.6844 CCS(=O)(=O)c1ccccc1NC2CCCCC2 34a_100000738084_100000210327 [0,2,0,0,0,0|1,0,1]=4 5423 B19R2.6844 CCS(=O)(=O)c1ccccc1NC2CCCCC2 7a_100000738084_100000210327 [0,2,0,0,0,0|1,0,1]=4 5424 B19R2.6844 CNS(=O)(=O)c1ccccc1NC2CCCCC2 34a_100000736802_100000210327 [0,2,0,0,0,0|1,0,1]=4 5425 B19R2.10501 C=COC(=O)c1ccccc1SC2CCCCC2 62a_100000210327_200000036168 [0,2,0,0,0,0|1,0,0]=3 5426 B19R2.10501 C=COC(=O)c1ccccc1SC2CCCCC2 62a_200000036168_100000210327 [0,2,0,0,0,0|1,0,0]=3 5427 B19R2.10501 C=COC(=O)c1ccccc1SC2CCCOC2 62a_200000036168_100000693364 [0,2,0,0,0,0|2,0,0]=4 5428 B19R2.10501 C=COC(=O)c1ccccc1SC2CCOCC2 62a_200000036168_100011324220 [0,2,0,0,0,0|2,0,0]=4 5429 B19R2.10501 C=COC(=O)c1ccccc1SC2CCSCC2 62a_200000036168_100000069128 [0,2,0,0,0,0|2,0,0]=4 5430 B19R2.10501 CCCC(=O)c1ccccc1OC2CCCCC2 34a_200000073644_100000210327 [0,2,0,0,0,0|2,0,0]=4 5431 B19R2.10501 CCCC(=O)c1ccccc1OC2CCCCC2 7a_200000073644_100000210327 [0,2,0,0,0,0|2,0,0]=4 5432 B19R2.10501 CCNC(=O)c1ccccc1NC2CCCCC2 27a_100000182618_200000155173 [0,2,0,0,0,0|1,0,0]=3 5433 B19R2.10501 CCNC(=O)c1ccccc1NC2CCCCC2 34a_100000205978_100000210327 [0,2,0,0,0,0|1,0,0]=3 5434 B19R2.10501 CCNC(=O)c1ccccc1NC2CCCOC2 27a_100000719290_200000155173 [0,2,0,0,0,0|2,0,0]=4 5435 B19R2.10501 CCNC(=O)c1ccccc1NC2CCCOC2 34a_100000205978_100000693364 [0,2,0,0,0,0|2,0,0]=4 5436 B19R2.10501 CCNC(=O)c1ccccc1NC2CCOCC2 27a_100000741149_200000155173 [0,2,0,0,0,0|2,0,0]=4 5437 B19R2.10501 CCNC(=O)c1ccccc1NC2CCSCC2 27a_100000748639_200000155173 [0,2,0,0,0,0|2,0,0]=4 5438 B19R2.10501 CCNC(=O)c1ccccc1NC2CCSCC2 34a_100000205978_100000069128 [0,2,0,0,0,0|2,0,0]=4 5439 B19R2.10501 CCNC(=O)c1ccccc1OC2CCCCC2 34a_100000192205_100000210327 [0,2,0,0,0,0|2,0,0]=4 5440 B19R2.10501 CCNC(=O)c1ccccc1OC2CCCCC2 7a_100000192205_100000210327 [0,2,0,0,0,0|2,0,0]=4 5441 B19R2.10501 CCNC(=O)c1ccccc1SC2CCCCC2 62a_100000210327_200000155173 [0,2,0,0,0,0|2,0,0]=4 5442 B19R2.10501 CCNC(=O)c1ccccc1SC2CCCCC2 62a_200000155173_100000210327 [0,2,0,0,0,0|2,0,0]=4 5443 B19R2.10501 CCNC(=O)c1cccnc1NC2CCCCC2 27a_100000182618_100000160120 [0,2,0,0,0,0|2,0,0]=4 5444 B19R2.10501 CCOC(=O)c1ccccc1OC2CCCCC2 7a_100000169922_100000210327 [0,2,0,0,0,0|1,0,0]=3 5445 B19R2.10501 CCOC(=O)c1ccccc1OC2CCCOC2 7a_100000169922_100000693364 [0,2,0,0,0,0|2,0,0]=4 5446 B19R2.10501 CCOC(=O)c1ccccc1OC2CCOCC2 7a_100000169922_100000686592 [0,2,0,0,0,0|2,0,0]=4 5447 B19R2.10501 CCOC(=O)c1ccccc1OC2CCSCC2 7a_100000169922_100011500858 [0,2,0,0,0,0|2,0,0]=4 5448 B19R2.10501 CCOC(=O)c1ccccc1SC2CCCCC2 62a_100000169876_100000210327 [0,2,0,0,0,0|1,0,0]=3 5449 B19R2.10501 CCOC(=O)c1ccccc1SC2CCCCC2 62a_100000210327_100000169879 [0,2,0,0,0,0|1,0,0]=3 5450 B19R2.10501 CCOC(=O)c1ccccc1SC2CCCOC2 62a_100000169876_100000693364 [0,2,0,0,0,0|2,0,0]=4 5451 B19R2.10501 CCOC(=O)c1ccccc1SC2CCOCC2 62a_100000169876_100011324220 [0,2,0,0,0,0|2,0,0]=4 5452 B19R2.10501 CCOC(=O)c1ccccc1SC2CCSCC2 62a_100000169876_100000069128 [0,2,0,0,0,0|2,0,0]=4 5453 B19R2.10501 CCOC(=O)c1cccnc1NC2CCCCC2 27a_100000182618_100000170124 [0,2,0,0,0,0|1,0,0]=3 5454 B19R2.10501 CCOC(=O)c1cccnc1NC2CCCOC2 27a_100000719290_100000170124 [0,2,0,0,0,0|2,0,0]=4 5455 B19R2.10501 CCOC(=O)c1cccnc1NC2CCOCC2 27a_100000741149_100000170124 [0,2,0,0,0,0|2,0,0]=4 5456 B19R2.10501 CCOC(=O)c1cccnc1NC2CCSCC2 27a_100000748639_100000170124 [0,2,0,0,0,0|2,0,0]=4 5457 B19R2.10501 CCOC(=O)c1cccnc1SC2CCCCC2 62a_100000210327_100000170124 [0,2,0,0,0,0|2,0,0]=4 5458 B19R2.10501 CCOC(=O)c1cccnc1SC2CCCCC2 62a_100011291640_100000210327 [0,2,0,0,0,0|2,0,0]=4 5459 B19R2.10501 CCOC(=O)c1ccncc1SC2CCCCC2 62a_100000210327_100010238393 [0,2,0,0,0,0|2,0,0]=4 5460 B19R2.10501 CCOC(=O)c1ccncc1SC2CCCCC2 62a_100010238393_100000210327 [0,2,0,0,0,0|2,0,0]=4 5461 B19R2.10501 CCOC(=O)c1cnccc1NC2CCCCC2 27a_100000182618_100016987518 [0,2,0,0,0,0|1,0,0]=3 5462 B19R2.10501 CCOC(=O)c1cnccc1NC2CCCOC2 27a_100000719290_100016987518 [0,2,0,0,0,0|2,0,0]=4 5463 B19R2.10501 CCOC(=O)c1cnccc1NC2CCOCC2 27a_100000741149_100016987518 [0,2,0,0,0,0|2,0,0]=4 5464 B19R2.10501 CCOC(=O)c1cnccc1NC2CCSCC2 27a_100000748639_100016987518 [0,2,0,0,0,0|2,0,0]=4 5465 B19R2.10501 CCOC(=O)c1cnccc1SC2CCCCC2 62a_100000210327_100016987518 [0,2,0,0,0,0|2,0,0]=4 5466 B19R2.10501 CCOC(=O)c1cncnc1NC2CCCCC2 27a_100000182618_100011998183 [0,2,0,0,0,0|2,0,0]=4 5467 B19R2.10501 CCOC(=O)c1ncccc1OC2CCCCC2 7a_200011376064_100000210327 [0,2,0,0,0,0|2,0,0]=4 5468 B19R2.10501 CCOC(=O)c1ncccc1SC2CCCCC2 62a_100000210327_100012351660 [0,2,0,0,0,0|2,0,0]=4 5469 B19R2.10501 CCOC(=O)c1ncccc1SC2CCCCC2 62a_100012351660_100000210327 [0,2,0,0,0,0|2,0,0]=4 5470 B19R2.10501 CCOC(=O)c1nccnc1NC2CCCCC2 27a_100000182618_100000085455 [0,2,0,0,0,0|2,0,0]=4 5471 B19R2.10501 CCOC(=O)c1ncncc1NC2CCCCC2 27a_100000182618_100012344254 [0,2,0,0,0,0|2,0,0]=4 5472 B19R2.10501 CONC(=O)c1ccccc1NC2CCCCC2 34a_100011599994_100000210327 [0,2,0,0,0,0|0,0,0]=2 5473 B19R2.10501 CONC(=O)c1ccccc1NC2CCCOC2 34a_100011599994_100000693364 [0,2,0,0,0,0|1,0,0]=3 5474 B19R2.10501 CONC(=O)c1ccccc1NC2CCSCC2 34a_100011599994_100000069128 [0,2,0,0,0,0|1,0,0]=3 5475 B19R2.10501 N#CCC(=O)c1ccccc1OC2CCCCC2 7a_200009873261_100000210327 [0,2,0,0,0,0|2,0,0]=4 5476 B19R2.10501 N#CCC(=O)c1ccccc1SC2CCCCC2 62a_100000210327_100011225204 [0,2,0,0,0,0|2,0,0]=4 5477 B19R2.10501 N#CCC(=O)c1ccccc1SC2CCCCC2 62a_100011225204_100000210327 [0,2,0,0,0,0|2,0,0]=4 5478 B19R2.10501 O=C(CCCl)c1ccccc1OC2CCCCC2 7a_100009873196_100000210327 [0,2,0,0,0,0|2,0,0]=4 5479 B19R2.10501 O=C(CCO)c1ccccc1CN2CCCCC2 1458a_100011301541_100000211926 [0,2,0,0,0,0|2,0,0]=4 5480 B19R2.152791 CNC(=O)c1cccc(c1NC2CCCCC2)C 34a_100000223168_100000210327 [0,2,0,0,0,0|1,0,0]=3 5481 B19R2.152791 CNC(=O)c1cccc(c1NC2CCCCC2)Cl 34a_200012181065_100000210327 [0,2,0,0,0,0|1,0,0]=3 5482 B19R2.152791 CNC(=O)c1cccc(c1NC2CCCOC2)C 34a_100000223168_100000693364 [0,2,0,0,0,0|2,0,0]=4 5483 B19R2.152791 CNC(=O)c1cccc(c1NC2CCCOC2)Cl 34a_200012181065_100000693364 [0,2,0,0,0,0|2,0,0]=4 5484 B19R2.152791 CNC(=O)c1cccc(c1NC2CCSCC2)C 34a_100000223168_100000069128 [0,2,0,0,0,0|2,0,0]=4 5485 B19R2.152791 CNC(=O)c1cccc(c1NC2CCSCC2)Cl 34a_200012181065_100000069128 [0,2,0,0,0,0|2,0,0]=4 5486 B19R2.152791 COC(=O)c1cccc(c1OC2CCCCC2)Br 34a_100009816214_100000210327 [0,2,0,0,0,0|1,0,0]=3 5487 B19R2.152791 COC(=O)c1cccc(c1OC2CCCCC2)C 34a_100000149854_100000210327 [0,2,0,0,0,0|1,0,0]=3 5488 B19R2.152791 COC(=O)c1cccc(c1OC2CCCCC2)C 7a_100000149854_100000210327 [0,2,0,0,0,0|1,0,0]=3 5489 B19R2.152791 COC(=O)c1cccc(c1OC2CCCCC2)Cl 34a_100000074923_100000210327 [0,2,0,0,0,0|1,0,0]=3 5490 B19R2.152791 COC(=O)c1cccc(c1OC2CCCCC2)Cl 7a_100000074923_100000210327 [0,2,0,0,0,0|1,0,0]=3 5491 B19R2.152791 COC(=O)c1cccc(c1OC2CCCCC2)F 34a_100000082593_100000210327 [0,2,0,0,0,0|1,0,0]=3 5492 B19R2.152791 COC(=O)c1cccc(c1OC2CCCCC2)F 7a_100000082593_100000210327 [0,2,0,0,0,0|1,0,0]=3 5493 B19R2.152791 COC(=O)c1cccc(c1OC2CCCCC2)N 34a_100000750886_100000210327 [0,2,0,0,0,0|1,0,0]=3 5494 B19R2.152791 COC(=O)c1cccc(c1OC2CCCOC2)Br 34a_100009816214_100000693364 [0,2,0,0,0,0|2,0,0]=4 5495 B19R2.152791 COC(=O)c1cccc(c1OC2CCCOC2)C 34a_100000149854_100000693364 [0,2,0,0,0,0|2,0,0]=4 5496 B19R2.152791 COC(=O)c1cccc(c1OC2CCCOC2)C 7a_100000149854_100000693364 [0,2,0,0,0,0|2,0,0]=4 5497 B19R2.152791 COC(=O)c1cccc(c1OC2CCCOC2)Cl 34a_100000074923_100000693364 [0,2,0,0,0,0|2,0,0]=4 5498 B19R2.152791 COC(=O)c1cccc(c1OC2CCCOC2)Cl 7a_100000074923_100000693364 [0,2,0,0,0,0|2,0,0]=4 5499 B19R2.152791 COC(=O)c1cccc(c1OC2CCCOC2)F 34a_100000082593_100000693364 [0,2,0,0,0,0|2,0,0]=4 5500 B19R2.152791 COC(=O)c1cccc(c1OC2CCCOC2)F 7a_100000082593_100000693364 [0,2,0,0,0,0|2,0,0]=4 5501 B19R2.152791 COC(=O)c1cccc(c1OC2CCCOC2)N 34a_100000750886_100000693364 [0,2,0,0,0,0|2,0,0]=4 5502 B19R2.152791 COC(=O)c1cccc(c1OC2CCOCC2)C 7a_100000149854_100000686592 [0,2,0,0,0,0|2,0,0]=4 5503 B19R2.152791 COC(=O)c1cccc(c1OC2CCOCC2)Cl 7a_100000074923_100000686592 [0,2,0,0,0,0|2,0,0]=4 5504 B19R2.152791 COC(=O)c1cccc(c1OC2CCOCC2)F 7a_100000082593_100000686592 [0,2,0,0,0,0|2,0,0]=4 5505 B19R2.152791 COC(=O)c1cccc(c1OC2CCSCC2)Br 34a_100009816214_100000069128 [0,2,0,0,0,0|2,0,0]=4 5506 B19R2.152791 COC(=O)c1cccc(c1OC2CCSCC2)C 34a_100000149854_100000069128 [0,2,0,0,0,0|2,0,0]=4 5507 B19R2.152791 COC(=O)c1cccc(c1OC2CCSCC2)C 7a_100000149854_100011500858 [0,2,0,0,0,0|2,0,0]=4 5508 B19R2.152791 COC(=O)c1cccc(c1OC2CCSCC2)Cl 34a_100000074923_100000069128 [0,2,0,0,0,0|2,0,0]=4 5509 B19R2.152791 COC(=O)c1cccc(c1OC2CCSCC2)Cl 7a_100000074923_100011500858 [0,2,0,0,0,0|2,0,0]=4 5510 B19R2.152791 COC(=O)c1cccc(c1OC2CCSCC2)F 34a_100000082593_100000069128 [0,2,0,0,0,0|2,0,0]=4 5511 B19R2.152791 COC(=O)c1cccc(c1OC2CCSCC2)F 7a_100000082593_100011500858 [0,2,0,0,0,0|2,0,0]=4 5512 B19R2.152791 COC(=O)c1cccc(c1OC2CCSCC2)N 34a_100000750886_100000069128 [0,2,0,0,0,0|2,0,0]=4 5513 B19R2.152791 COC(=O)c1cccc(c1SC2CCCCC2)Br 62a_100000210327_100010150843 [0,2,0,0,0,0|1,0,0]=3 5514 B19R2.152791 COC(=O)c1cccc(c1SC2CCCCC2)Br 62a_100010150843_100000210327 [0,2,0,0,0,0|1,0,0]=3 5515 B19R2.152791 COC(=O)c1cccc(c1SC2CCCCC2)C 62a_100000210327_100012002529 [0,2,0,0,0,0|1,0,0]=3 5516 B19R2.152791 COC(=O)c1cccc(c1SC2CCCCC2)C 62a_100012002529_100000210327 [0,2,0,0,0,0|1,0,0]=3 5517 B19R2.152791 COC(=O)c1cccc(c1SC2CCCCC2)F 62a_100000210327_100012357630 [0,2,0,0,0,0|1,0,0]=3 5518 B19R2.152791 COC(=O)c1cccc(c1SC2CCCCC2)F 62a_100012357630_100000210327 [0,2,0,0,0,0|1,0,0]=3 5519 B19R2.152791 COC(=O)c1cccc(c1SC2CCCCC2)N 62a_100000719424_100000210327 [0,2,0,0,0,0|1,0,0]=3 5520 B19R2.152791 COC(=O)c1cccc(c1SC2CCCCC2)O 62a_100000210327_200010230364 [0,2,0,0,0,0|1,0,0]=3 5521 B19R2.152791 COC(=O)c1cccc(c1SC2CCCCC2)O 62a_200010230364_100000210327 [0,2,0,0,0,0|1,0,0]=3 5522 B19R2.152791 COC(=O)c1cccc(c1SC2CCCOC2)Br 62a_100010150843_100000693364 [0,2,0,0,0,0|2,0,0]=4 5523 B19R2.152791 COC(=O)c1cccc(c1SC2CCCOC2)C 62a_100012002529_100000693364 [0,2,0,0,0,0|2,0,0]=4 5524 B19R2.152791 COC(=O)c1cccc(c1SC2CCCOC2)F 62a_100012357630_100000693364 [0,2,0,0,0,0|2,0,0]=4 5525 B19R2.152791 COC(=O)c1cccc(c1SC2CCCOC2)N 62a_100000719424_100000693364 [0,2,0,0,0,0|2,0,0]=4 5526 B19R2.152791 COC(=O)c1cccc(c1SC2CCCOC2)O 62a_200010230364_100000693364 [0,2,0,0,0,0|2,0,0]=4 5527 B19R2.152791 COC(=O)c1cccc(c1SC2CCOCC2)Br 62a_100010150843_100011324220 [0,2,0,0,0,0|2,0,0]=4 5528 B19R2.152791 COC(=O)c1cccc(c1SC2CCOCC2)C 62a_100012002529_100011324220 [0,2,0,0,0,0|2,0,0]=4 5529 B19R2.152791 COC(=O)c1cccc(c1SC2CCOCC2)F 62a_100012357630_100011324220 [0,2,0,0,0,0|2,0,0]=4 5530 B19R2.152791 COC(=O)c1cccc(c1SC2CCOCC2)N 62a_100000719424_100011324220 [0,2,0,0,0,0|2,0,0]=4 5531 B19R2.152791 COC(=O)c1cccc(c1SC2CCOCC2)O 62a_200010230364_100011324220 [0,2,0,0,0,0|2,0,0]=4 5532 B19R2.152791 COC(=O)c1cccc(c1SC2CCSCC2)Br 62a_100010150843_100000069128 [0,2,0,0,0,0|2,0,0]=4 5533 B19R2.152791 COC(=O)c1cccc(c1SC2CCSCC2)C 62a_100012002529_100000069128 [0,2,0,0,0,0|2,0,0]=4 5534 B19R2.152791 COC(=O)c1cccc(c1SC2CCSCC2)F 62a_100012357630_100000069128 [0,2,0,0,0,0|2,0,0]=4 5535 B19R2.152791 COC(=O)c1cccc(c1SC2CCSCC2)N 62a_100000719424_100000069128 [0,2,0,0,0,0|2,0,0]=4 5536 B19R2.152791 COC(=O)c1cccc(c1SC2CCSCC2)O 62a_200010230364_100000069128 [0,2,0,0,0,0|2,0,0]=4 5537 B19R2.152791 Cc1cccc(c1OC2CCCCC2)C(=O)NN 34a_100000193353_100000210327 [0,2,0,0,0,0|2,0,0]=4 5538 B19R2.152791 Cc1cccc(c1SC2CCCCC2)C(=O)NN 62a_100000210327_200012340524 [0,2,0,0,0,0|2,0,0]=4 5539 B19R2.152791 Cc1cccc(c1SC2CCCCC2)C(=O)NN 62a_200012340524_100000210327 [0,2,0,0,0,0|2,0,0]=4 5540 B19R2.1298621 CNC(=O)c1ccccc1NC2(CCOCC2)C 27a_100000692449_100000155073 [0,2,0,0,0,0|2,0,0]=4 5541 B19R2.1298621 COC(=O)c1cccnc1NC2(CCOCC2)C 27a_100000692449_100000150852 [0,2,0,0,0,0|2,0,0]=4 5542 B17R2.5301 O=c1cccc([nH]1)C=NNC2CCCCC2 4a_100000709804_100011935257 [0,0,1,1,0,0|2,0,0]=4 5543 B17R2.5301 Oc1cccc(c1)C=NNC2CCCCC2 4a_100000709804_100000188321 [0,0,1,1,0,0|2,0,0]=4 5544 B17R2.2880 CCC1CCCN1c2cccnc2C(=O)N 27a_100000754278_200012359670 [0,0,1,1,0,0|2,0,0]=4 5545 B17R2.2880 CCC1CCCN1c2ccncc2C(=O)C 27a_100000754278_100160469449 [0,0,1,1,0,0|2,0,0]=4 5546 B17R2.2880 CCC1CCCN1c2ccncc2C(=O)N 27a_100000754278_100000697804 [0,0,1,1,0,0|2,0,0]=4 5547 B17R2.2880 CCC1CCCN1c2ncccc2C(=O)C 27a_100000754278_100009816689 [0,0,1,1,0,0|2,0,0]=4 5548 B17R2.2880 CCC1CCCN1c2ncccc2C(=O)N 27a_100000754278_100000162199 [0,0,1,1,0,0|2,0,0]=4 5549 B17R2.5678 C=C(C)c1ccccc1NCC2CCCC2 34a_100000037685_100000740388 [0,0,1,1,0,0|2,0,0]=4 5550 B17R2.5678 CC(=O)c1ccccc1SCC2CCCC2 62a_100000751169_100000740388 [0,0,1,1,0,0|2,0,0]=4 5551 B17R2.5678 CC(=O)c1cccnc1NCC2CCCC2 27a_100000737975_100009816689 [0,0,1,1,0,0|2,0,0]=4 5552 B17R2.5678 CC(=O)c1cnccc1NCC2CCCC2 27a_100000737975_100160469449 [0,0,1,1,0,0|2,0,0]=4 5553 B17R2.5678 CC(O)c1ccccc1NCC2CCCC2 2230a_100011405641_100000740388 [0,0,1,1,0,0|1,0,1]=4 5554 B17R2.5678 NC(=O)c1ccccc1NCC2CCCC2 34a_100000185089_100000740388 [0,0,1,1,0,0|1,0,0]=3 5555 B17R2.5678 NC(=O)c1ccccc1NCC2CCOC2 34a_100000185089_100011261433 [0,0,1,1,0,0|2,0,0]=4 5556 B17R2.5678 NC(=O)c1ccccc1OCC2CCCC2 34a_100000192804_100000740388 [0,0,1,1,0,0|2,0,0]=4 5557 B17R2.5678 NC(=O)c1ccccc1OCC2CCCC2 7a_100000192804_100000740388 [0,0,1,1,0,0|2,0,0]=4 5558 B17R2.5678 NC(=O)c1ccccc1SCC2CCCC2 62a_100000162227_100000740388 [0,0,1,1,0,0|2,0,0]=4 5559 B17R2.5678 NC(=O)c1ccccc1SCC2CCCC2 62a_100000740388_100000162227 [0,0,1,1,0,0|2,0,0]=4 5560 B17R2.5678 NC(=O)c1cccnc1NCC2CCCC2 27a_100000737975_100000162199 [0,0,1,1,0,0|2,0,0]=4 5561 B17R2.5678 NC(=O)c1cnccc1NCC2CCCC2 27a_100000737975_100000697804 [0,0,1,1,0,0|2,0,0]=4 5562 B17R2.5678 NC(=O)c1ncccc1NCC2CCCC2 27a_100000737975_200012359670 [0,0,1,1,0,0|2,0,0]=4 5563 B17R2.5678 O=C(O)c1ccccc1CNC2CCCC2 269956a_100015183376_100000179811 [0,0,1,1,0,0|2,0,0]=4 5564 B17R2.5678 O=C(O)c1ccccc1SCC2CCCC2 62a_100000740388_100000734275 [0,0,1,1,0,0|1,0,0]=3 5565 B17R2.5678 O=C(O)c1ccccc1SCC2CCCC2 62a_202125556159_100000740388 [0,0,1,1,0,0|1,0,0]=3 5566 B17R2.5678 O=C(O)c1ccccc1SCC2CCCO2 62a_100000203698_100000734275 [0,0,1,1,0,0|2,0,0]=4 5567 B17R2.5678 O=C(O)c1ccccc1SCC2CCCO2 62a_202125556159_100000203698 [0,0,1,1,0,0|2,0,0]=4 5568 B17R2.5678 O=C(O)c1ccccc1SCC2CCOC2 62a_100000702531_100000734275 [0,0,1,1,0,0|2,0,0]=4 5569 B17R2.5678 O=C(O)c1ccccc1SCC2CCOC2 62a_202125556159_100000702531 [0,0,1,1,0,0|2,0,0]=4 5570 B17R2.5678 O=C([O-])c1ccccc1OCC2CCCC2 7a_100015234032_100000740388 [0,0,1,1,0,0|1,0,1]=4 5571 B17R2.19030 CCCCCNC1OC(=O)c2c1cccc2 2230a_100000209983_100009813457 [0,0,1,1,0,0|2,0,0]=4 5572 B17R2.19030 CCCCCSC1OC(=O)c2c1cccc2 62a_100000210326_100009813457 [0,0,1,1,0,0|2,0,0]=4 5573 B17R2.45243 NC(=O)c1ccccc1NCCCC2CO2 34a_100000185089_100000733510 [0,0,1,1,0,0|2,0,0]=4 5574 B17R2.45243 O=C(O)c1ccccc1CNCCC2CC2 269956a_100015183376_100000694398 [0,0,1,1,0,0|2,0,0]=4 5575 B17R2.45243 O=C(O)c1ccccc1SCCCC2CO2 62a_100000733510_100000734275 [0,0,1,1,0,0|2,0,0]=4 5576 B17R2.45243 O=C(O)c1ccccc1SCCCC2CO2 62a_202125556159_100000733510 [0,0,1,1,0,0|2,0,0]=4 5577 B17R2.45250 CC(=O)c1cccnc1N2CCCCCC2 27a_100000185865_100009816689 [0,0,1,1,0,0|2,0,0]=4 5578 B17R2.45250 CC(=O)c1cnccc1N2CCCCCC2 27a_100000185865_100160469449 [0,0,1,1,0,0|2,0,0]=4 5579 B17R2.45250 NC(=O)c1cccnc1N2CCCCCC2 27a_100000185865_100000162199 [0,0,1,1,0,0|2,0,0]=4 5580 B17R2.45250 NC(=O)c1cnccc1N2CCCCCC2 27a_100000185865_100000697804 [0,0,1,1,0,0|2,0,0]=4 5581 B17R2.45250 NC(=O)c1ncccc1N2CCCCCC2 27a_100000185865_200012359670 [0,0,1,1,0,0|2,0,0]=4 5582 B17R2.293058 O=C(O)c1ccccc1CNCC2CCC2 269956a_100015183376_100000763275 [0,0,1,1,0,0|2,0,0]=4 5583 B17R2.1725 O=C(O)c1ccccc1SC2CC(C2)CO 62a_100009874164_100000734275 [0,0,1,1,0,0|2,0,0]=4 5584 B17R2.1725 O=C(O)c1ccccc1SC2CC(C2)CO 62a_202125556159_100009874164 [0,0,1,1,0,0|2,0,0]=4 5585 B17R2.8674 CC(=O)c1cccnc1N2C(CCC2C)C 27a_100000687148_100009816689 [0,0,1,1,0,0|2,0,0]=4 5586 B17R2.8674 CC(=O)c1cnccc1N2C(CCC2C)C 27a_100000687148_100160469449 [0,0,1,1,0,0|2,0,0]=4 5587 B17R2.8674 CC1CCC(N1c2cccnc2C(=O)N)C 27a_100000687148_200012359670 [0,0,1,1,0,0|2,0,0]=4 5588 B17R2.8674 CC1CCC(N1c2ccncc2C(=O)N)C 27a_100000687148_100000697804 [0,0,1,1,0,0|2,0,0]=4 5589 B17R2.8674 CC1CCC(N1c2ncccc2C(=O)N)C 27a_100000687148_100000162199 [0,0,1,1,0,0|2,0,0]=4 5590 B17R2.159317 CCCCN(C)C1OC(=O)c2c1cccc2 2230a_100000207549_100009813457 [0,0,1,1,0,0|2,0,0]=4 5591 B17R2.159317 CCCCN(C)C1OC(=O)c2c1cccc2 269982a_100000207549_100009813457 [0,0,1,1,0,0|2,0,0]=4 5592 B17R2.293056 CC(=O)c1cccnc1NC(C)C2CCC2 27a_100016994624_100009816689 [0,0,1,1,0,0|2,0,0]=4 5593 B17R2.293056 CC(=O)c1cnccc1NC(C)C2CCC2 27a_100016994624_100160469449 [0,0,1,1,0,0|2,0,0]=4 5594 B17R2.293056 CC(Nc1cccnc1C(=O)N)C2CCC2 27a_100016994624_200012359670 [0,0,1,1,0,0|2,0,0]=4 5595 B17R2.293056 CC(Nc1ccncc1C(=O)N)C2CCC2 27a_100016994624_100000697804 [0,0,1,1,0,0|2,0,0]=4 5596 B17R2.293056 CC(Nc1ncccc1C(=O)N)C2CCC2 27a_100016994624_100000162199 [0,0,1,1,0,0|2,0,0]=4 5597 B17R2.47362 CCCC1(CC1)Nc2cccnc2C(=O)N 27a_100015185929_200012359670 [0,0,1,1,0,0|2,0,0]=4 5598 B17R2.47362 CCCC1(CC1)Nc2ccncc2C(=O)C 27a_100015185929_100160469449 [0,0,1,1,0,0|2,0,0]=4 5599 B17R2.47362 CCCC1(CC1)Nc2ccncc2C(=O)N 27a_100015185929_100000697804 [0,0,1,1,0,0|2,0,0]=4 5600 B17R2.47362 CCCC1(CC1)Nc2ncccc2C(=O)C 27a_100015185929_100009816689 [0,0,1,1,0,0|2,0,0]=4 5601 B17R2.47362 CCCC1(CC1)Nc2ncccc2C(=O)N 27a_100015185929_100000162199 [0,0,1,1,0,0|2,0,0]=4 5602 B17R2.48601 CCC(Nc1cccnc1C(=O)N)C2CC2 27a_100025715781_200012359670 [0,0,1,1,0,0|2,0,0]=4 5603 B17R2.48601 CCC(Nc1ccncc1C(=O)C)C2CC2 27a_100025715781_100160469449 [0,0,1,1,0,0|2,0,0]=4 5604 B17R2.48601 CCC(Nc1ccncc1C(=O)N)C2CC2 27a_100025715781_100000697804 [0,0,1,1,0,0|2,0,0]=4 5605 B17R2.48601 CCC(Nc1ncccc1C(=O)C)C2CC2 27a_100025715781_100009816689 [0,0,1,1,0,0|2,0,0]=4 5606 B17R2.48601 CCC(Nc1ncccc1C(=O)N)C2CC2 27a_100025715781_100000162199 [0,0,1,1,0,0|2,0,0]=4 5607 B17R2.445734 CCCN(CC)C1OC(=O)c2c1cccc2 2230a_100000226822_100009813457 [0,0,1,1,0,0|2,0,0]=4 5608 B17R2.445734 CCCN(CC)C1OC(=O)c2c1cccc2 269982a_100000226822_100009813457 [0,0,1,1,0,0|2,0,0]=4 5609 B17R2.3417 O=C(NC1CCCCC1)c2ccccc2O 240690a_100000182618_100015234032 [0,0,1,1,0,0|2,0,0]=4 5610 B17R2.3417 O=C(NC1CCCCC1)c2ccccc2O 271570a_203496583355_200000153393 [0,0,1,1,0,0|2,0,0]=4 5611 B17R2.3417 O=C(NC1CCCCC1)c2cccnc2O 271570a_203496583355_100000158245 [0,0,1,1,0,0|2,0,0]=4 5612 B17R3.633 C=Cc1cccc2c1NC3C2CNCC3 271570a_100011290941_200015416792 [1,0,0,1,0,0|2,0,0]=4 5613 B17R3.2036 O=Cc1ccccc1CN2CC3CC3C2 2230a_100000741873_200009853537 [1,0,0,1,0,0|2,0,0]=4 5614 B17R3.2036 O=Cc1ccccc1CN2CC3CC3C2 269982a_100000741873_200009853537 [1,0,0,1,0,0|2,0,0]=4 5615 B17R3.2036 O=Cc1ccccc1CN2CC3CC3C2 34a_100000741873_200009853537 [1,0,0,1,0,0|2,0,0]=4 5616 B17R3.11240 OCc1cnccc1N2C3CCC2CC3 27a_100000735658_100000117392 [1,0,0,1,0,0|1,0,1]=4 5617 B17R3.7829 O=C1OC(c2c1cccc2)N3CCCC3 2230a_100000188435_100009813457 [0,0,0,1,1,0|2,0,0]=4 5618 B17R3.7829 O=C1OC(c2c1cccc2)N3CCCC3 269982a_100000188435_100009813457 [0,0,0,1,1,0|2,0,0]=4 5619 B19R3.10680 O=[N+]([O-])c1ccccc1CNC2CC3CC3C2 270004a_100000740939_100010340937 [0,0,0,1,0,1|1,0,1]=4 5620 B19R3.17443 O=C1CC(c2c1cccc2)NC3CCCCC3 2230a_100000182618_100010208147 [0,0,0,1,0,1|1,0,0]=3 5621 B19R3.17443 O=C1CC(c2c1cccc2)NC3CCCOC3 2230a_100000719290_100010208147 [0,0,0,1,0,1|2,0,0]=4 5622 B19R3.17443 O=C1CC(c2c1cccc2)NC3CCOCC3 2230a_100000741149_100010208147 [0,0,0,1,0,1|2,0,0]=4 5623 B19R3.17443 O=C1CC(c2c1cccc2)NC3CCSCC3 2230a_100000748639_100010208147 [0,0,0,1,0,1|2,0,0]=4 5624 B19R3.17443 O=C1CC(c2c1cccc2)OC3CCCCC3 7a_100000210231_100010208147 [0,0,0,1,0,1|2,0,0]=4 5625 B19R3.17443 O=C1CC(c2c1cccc2)SC3CCCCC3 62a_100000210327_100010208147 [0,0,0,1,0,1|2,0,0]=4 5626 B19R3.17443 O=C1CC(c2c1cccc2)SC3CCCCC3 62a_100010208147_100000210327 [0,0,0,1,0,1|2,0,0]=4 5627 B19R3.17443 O=C1OC(c2c1cccc2)NC3CCCCC3 2230a_100000182618_100009813457 [0,0,0,1,0,1|0,0,0]=2 5628 B19R3.17443 O=C1OC(c2c1cccc2)NC3CCCOC3 2230a_100000719290_100009813457 [0,0,0,1,0,1|1,0,0]=3 5629 B19R3.17443 O=C1OC(c2c1cccc2)NC3CCOCC3 2230a_100000741149_100009813457 [0,0,0,1,0,1|1,0,0]=3 5630 B19R3.17443 O=C1OC(c2c1cccc2)NC3CCSCC3 2230a_100000748639_100009813457 [0,0,0,1,0,1|1,0,0]=3 5631 B19R3.17443 O=C1OC(c2c1cccc2)SC3CCCCC3 62a_100000210327_100009813457 [0,0,0,1,0,1|1,0,0]=3 5632 B19R3.200747 C=C(C)c1ccccc1NC2C3CCC2CC3 34a_100000037685_100009813300 [0,0,0,1,0,1|2,0,0]=4 5633 B19R3.200747 CC(=O)c1ccccc1SC2C3CCC2CC3 62a_100000751169_100009813300 [0,0,0,1,0,1|2,0,0]=4 5634 B19R3.200747 NC(=O)c1ccccc1NC2C3CCC2CC3 34a_100000185089_100009813300 [0,0,0,1,0,1|1,0,0]=3 5635 B19R3.200747 NC(=O)c1ccccc1OC2C3CCC2CC3 34a_100000192804_100009813300 [0,0,0,1,0,1|2,0,0]=4 5636 B19R3.200747 NC(=O)c1ccccc1SC2C3CCC2CC3 62a_100000162227_100009813300 [0,0,0,1,0,1|2,0,0]=4 5637 B19R3.200747 NC(=O)c1ccccc1SC2C3CCC2CC3 62a_100009813300_100000162227 [0,0,0,1,0,1|2,0,0]=4 5638 B19R3.200747 O=C(O)c1ccccc1SC2C3CCC2CC3 62a_100009813300_100000734275 [0,0,0,1,0,1|1,0,0]=3 5639 B19R3.200747 O=C(O)c1ccccc1SC2C3CCC2CC3 62a_202125556159_100009813300 [0,0,0,1,0,1|1,0,0]=3 5640 B19R3.200747 O=[N+]([O-])c1ccccc1CN2C3CCC2CC3 2230a_100000735658_100000181388 [0,0,0,1,0,1|1,0,1]=4 5641 B19R3.200747 O=[N+]([O-])c1ccccc1CN2C3CCC2CC3 269982a_100000735658_100000181388 [0,0,0,1,0,1|1,0,1]=4 5642 B19R3.200747 O=[N+]([O-])c1ccccc1CN2C3CCC2CC3 270004a_100000735658_100000186027 [0,0,0,1,0,1|1,0,1]=4 5643 B19R3.200747 O=[N+]([O-])c1ccccc1CN2C3CCC2CC3 34a_100000735658_100000181388 [0,0,0,1,0,1|1,0,1]=4 5644 B19R3.200747 OB(O)c1ccccc1CN2C3CCC2CC3 2230a_100000735658_100009814197 [0,0,0,1,0,1|1,0,1]=4 5645 B19R3.200747 OB(O)c1ccccc1CN2C3CCC2CC3 269982a_100000735658_100009814197 [0,0,0,1,0,1|1,0,1]=4 5646 B19R3.200747 OB(O)c1ccccc1CN2C3CCC2CC3 34a_100000735658_100009814197 [0,0,0,1,0,1|1,0,1]=4 5647 B19R3.200847 O=[N+]([O-])c1ccccc1CNC2CCC3C2C3 269862a_100000740939_100000692480 [0,0,0,1,0,1|1,0,1]=4 5648 B19R3.200847 O=[N+]([O-])c1ccccc1CNC2CCC3C2C3 270004a_100000740939_100000692480 [0,0,0,1,0,1|1,0,1]=4 5649 B19R3.200877 CC(=O)c1cccnc1N2CC3CCC2CC3 27a_100000750499_100009816689 [0,0,0,1,0,1|2,0,0]=4 5650 B19R3.200877 CC(=O)c1cnccc1N2CC3CCC2CC3 27a_100000750499_100160469449 [0,0,0,1,0,1|2,0,0]=4 5651 B19R3.200877 NC(=O)c1cccnc1N2CC3CCC2CC3 27a_100000750499_100000162199 [0,0,0,1,0,1|2,0,0]=4 5652 B19R3.200877 NC(=O)c1cnccc1N2CC3CCC2CC3 27a_100000750499_100000697804 [0,0,0,1,0,1|2,0,0]=4 5653 B19R3.200877 NC(=O)c1ncccc1N2CC3CCC2CC3 27a_100000750499_200012359670 [0,0,0,1,0,1|2,0,0]=4 5654 B19R3.329 Cc1cc2cccc(c2o1)NC3CCCCC3 34a_200015185323_100000210327 [0,0,0,1,0,1|2,0,0]=4 5655 B19R3.329 Cc1nc2c(cccc2o1)NC3CCCCC3 34a_100011934982_100000210327 [0,0,0,1,0,1|1,0,0]=3 5656 B19R3.329 Cc1nc2c(cccc2o1)NC3CCCOC3 34a_100011934982_100000693364 [0,0,0,1,0,1|2,0,0]=4 5657 B19R3.329 Cc1nc2c(cccc2o1)NC3CCSCC3 34a_100011934982_100000069128 [0,0,0,1,0,1|2,0,0]=4 5658 B19R3.329 Cc1nc2c(cccc2o1)SC3CCCCC3 62a_100000210327_100010883239 [0,0,0,1,0,1|2,0,0]=4 5659 B19R3.329 Nc1nc2c(cccc2o1)OC3CCCCC3 7a_100009892541_100000210327 [0,0,0,1,0,1|2,0,0]=4 5660 B19R3.329 O=C1Cc2c(cccc2SC3CCCCC3)N1 62a_100000210327_100009816812 [0,0,0,1,0,1|2,0,0]=4 5661 B19R3.329 O=C1Cc2cccc(c2C1)SC3CCCCC3 62a_100010205903_100000210327 [0,0,0,1,0,1|2,0,0]=4 5662 B19R3.329 O=C1Cc2cccc(c2N1)SC3CCCCC3 62a_100000210327_100000767046 [0,0,0,1,0,1|2,0,0]=4 5663 B19R3.200869 CC(=O)c1cccnc1N2C3CCC2COC3 27a_100015205251_100009816689 [0,0,0,1,0,1|2,0,0]=4 5664 B19R3.200869 CC(=O)c1cnccc1N2C3CCC2COC3 27a_100015205251_100160469449 [0,0,0,1,0,1|2,0,0]=4 5665 B19R3.200869 NC(=O)c1cccnc1N2C3CCC2COC3 27a_100015205251_100000162199 [0,0,0,1,0,1|2,0,0]=4 5666 B19R3.200869 NC(=O)c1cnccc1N2C3CCC2COC3 27a_100015205251_100000697804 [0,0,0,1,0,1|2,0,0]=4 5667 B19R3.200869 NC(=O)c1ncccc1N2C3CCC2COC3 27a_100015205251_200012359670 [0,0,0,1,0,1|2,0,0]=4 5668 B19R3.4186878 O=C1OC(c2c1cccc2)N3CCCCCC3 2230a_100000185865_100009813457 [0,0,0,1,0,1|2,0,0]=4 5669 B19R3.4186878 O=C1OC(c2c1cccc2)N3CCCCCC3 269982a_100000185865_100009813457 [0,0,0,1,0,1|2,0,0]=4 5670 B19R3.4186878 O=C1OC(c2c1cccc2)N3CCCOCC3 2230a_100000685342_100009813457 [0,0,0,1,0,1|2,0,0]=4 5671 B19R3.4186878 O=C1OC(c2c1cccc2)N3CCCOCC3 269982a_100000685342_100009813457 [0,0,0,1,0,1|2,0,0]=4 5672 B19R3.239436 CC1CCN(CC1)C2OC(=O)c3c2cccc3 2230a_100000188429_100009813457 [0,1,0,1,0,0|2,0,0]=4 5673 B19R3.239436 CC1CCN(CC1)C2OC(=O)c3c2cccc3 269982a_100000188429_100009813457 [0,1,0,1,0,0|2,0,0]=4 5674 B19R3.239436 O=C1OC(c2c1cccc2)N3CCC(CC3)F 2230a_100015193889_100009813457 [0,1,0,1,0,0|2,0,0]=4 5675 B19R3.239436 O=C1OC(c2c1cccc2)N3CCC(CC3)F 269982a_100015193889_100009813457 [0,1,0,1,0,0|2,0,0]=4 5676 B19R3.239436 O=C1OC(c2c1cccc2)N3CCC(CC3)O 2230a_100025773856_100009813457 [0,1,0,1,0,0|2,0,0]=4 5677 B19R3.239436 O=C1OC(c2c1cccc2)N3CCC(CC3)O 269982a_100025773856_100009813457 [0,1,0,1,0,0|2,0,0]=4 5678 B19R3.54264 C[C@H]1CCCN(C1)C2OC(=O)c3c2cccc3 2230a_100000717927_100009813457 [0,1,0,1,0,0|2,0,0]=4 5679 B19R3.54264 C[C@H]1CCCN(C1)C2OC(=O)c3c2cccc3 269982a_100000717927_100009813457 [0,1,0,1,0,0|2,0,0]=4 5680 B19R3.54264 O=C1OC(c2c1cccc2)N3CCCC(C3)F 2230a_100000697950_100009813457 [0,1,0,1,0,0|2,0,0]=4 5681 B19R3.54264 O=C1OC(c2c1cccc2)N3CCCC(C3)F 269982a_100000697950_100009813457 [0,1,0,1,0,0|2,0,0]=4 5682 B19R3.54264 O=C1OC(c2c1cccc2)N3CCCC(C3)O 2230a_100000211013_100009813457 [0,1,0,1,0,0|2,0,0]=4 5683 B19R3.54264 O=C1OC(c2c1cccc2)N3CCCC(C3)O 269982a_100000211013_100009813457 [0,1,0,1,0,0|2,0,0]=4 5684 B19R3.200757 C=C(C)c1ccccc1NC2CC3CCC2C3 34a_100000037685_100000727232 [0,1,0,1,0,0|2,0,0]=4 5685 B19R3.200757 CC(=O)c1ccccc1SC2CC3CCC2C3 62a_100000751169_100000727232 [0,1,0,1,0,0|2,0,0]=4 5686 B19R3.200757 CC(=O)c1cccnc1NC2CC3CCC2C3 27a_100000758229_100009816689 [0,1,0,1,0,0|2,0,0]=4 5687 B19R3.200757 CC(=O)c1cnccc1NC2CC3CCC2C3 27a_100000758229_100160469449 [0,1,0,1,0,0|2,0,0]=4 5688 B19R3.200757 NC(=O)c1ccccc1NC2CC3CCC2C3 34a_100000185089_100000727232 [0,1,0,1,0,0|1,0,0]=3 5689 B19R3.200757 NC(=O)c1ccccc1OC2CC3CCC2C3 34a_100000192804_100000727232 [0,1,0,1,0,0|2,0,0]=4 5690 B19R3.200757 NC(=O)c1ccccc1SC2CC3CCC2C3 62a_100000162227_100000727232 [0,1,0,1,0,0|2,0,0]=4 5691 B19R3.200757 NC(=O)c1ccccc1SC2CC3CCC2C3 62a_100000727232_100000162227 [0,1,0,1,0,0|2,0,0]=4 5692 B19R3.200757 NC(=O)c1cccnc1NC2CC3CCC2C3 27a_100000758229_100000162199 [0,1,0,1,0,0|2,0,0]=4 5693 B19R3.200757 NC(=O)c1cnccc1NC2CC3CCC2C3 27a_100000758229_100000697804 [0,1,0,1,0,0|2,0,0]=4 5694 B19R3.200757 NC(=O)c1ncccc1NC2CC3CCC2C3 27a_100000758229_200012359670 [0,1,0,1,0,0|2,0,0]=4 5695 B19R3.200757 O=C(O)c1ccccc1SC2CC3CCC2C3 62a_100000727232_100000734275 [0,1,0,1,0,0|1,0,0]=3 5696 B19R3.200757 O=C(O)c1ccccc1SC2CC3CCC2C3 62a_202125556159_100000727232 [0,1,0,1,0,0|1,0,0]=3 5697 B19R3.60360 CC(=O)c1ccc(cc1NC2C3C2COC3)F 27a_100000702821_100000686192 [0,1,0,1,0,0|2,0,0]=4 5698 B19R3.60360 NC(=O)c1ccc(cc1NC2C3C2COC3)Br 27a_100000702821_100009815748 [0,1,0,1,0,0|2,0,0]=4 5699 B19R3.60360 NC(=O)c1ccc(cc1NC2C3C2COC3)F 27a_100000702821_100000206404 [0,1,0,1,0,0|2,0,0]=4 5700 B19R3.2201188 CC(=O)c1ccc(cc1N2C3CCC2CC3)F 27a_100000735658_100000686192 [0,1,0,1,0,0|1,0,0]=3 5701 B19R3.2201188 Cc1ccc(c(n1)N2C3CCC2CC3)C(=O)N 27a_100000735658_100000041523 [0,1,0,1,0,0|2,0,0]=4 5702 B19R3.2201188 NC(=O)c1ccc(cc1N2C3CCC2CC3)Br 27a_100000735658_100009815748 [0,1,0,1,0,0|1,0,0]=3 5703 B19R3.2201188 NC(=O)c1ccc(cc1N2C3CCC2CC3)F 27a_100000735658_100000206404 [0,1,0,1,0,0|1,0,0]=3 5704 B19R3.57584 CC1CCCCN1C2OC(=O)c3c2cccc3 2230a_100000211376_100009813457 [0,1,0,1,0,0|2,0,0]=4 5705 B19R3.57584 CC1CCCCN1C2OC(=O)c3c2cccc3 269982a_100000211376_100009813457 [0,1,0,1,0,0|2,0,0]=4 5706 B19R3.86278 Nc1noc2c1c(ccc2)SC3CCCCC3 62a_100000210327_100012361266 [0,1,0,1,0,0|2,0,0]=4 5707 B19R3.86278 Nc1noc2c1c(ccc2)SC3CCCCC3 62a_100012361266_100000210327 [0,1,0,1,0,0|2,0,0]=4 5708 B19R3.86278 O=C1CCc2c1c(ccc2)OC3CCCCC3 34a_100000066596_100000210327 [0,1,0,1,0,0|2,0,0]=4 5709 B19R3.86278 O=C1CCc2c1c(ccc2)OC3CCCCC3 7a_100000066596_100000210327 [0,1,0,1,0,0|2,0,0]=4 5710 B19R3.86278 O=C1CCc2c1c(ccc2)SC3CCCCC3 62a_100000210327_100009816781 [0,1,0,1,0,0|2,0,0]=4 5711 B19R3.86278 O=C1CCc2c1c(ccc2)SC3CCCCC3 62a_100009816781_100000210327 [0,1,0,1,0,0|2,0,0]=4 5712 B19R3.86278 O=C1COc2c1c(ccc2)OC3CCCCC3 34a_200009856558_100000210327 [0,1,0,1,0,0|1,0,0]=3 5713 B19R3.86278 O=C1COc2c1c(ccc2)OC3CCCOC3 34a_200009856558_100000693364 [0,1,0,1,0,0|2,0,0]=4 5714 B19R3.86278 O=C1COc2c1c(ccc2)OC3CCSCC3 34a_200009856558_100000069128 [0,1,0,1,0,0|2,0,0]=4 5715 B19R3.86278 O=C1COc2c1c(ccc2)SC3CCCCC3 62a_100000210327_100010205902 [0,1,0,1,0,0|1,0,0]=3 5716 B19R3.86278 O=C1NCc2c1c(ccc2)SC3CCCCC3 62a_100000210327_100000724024 [0,1,0,1,0,0|2,0,0]=4 5717 B19R3.86278 O=C1NCc2c1c(ccc2)SC3CCCCC3 62a_100000724024_100000210327 [0,1,0,1,0,0|2,0,0]=4 5718 B19R3.86278 O=C1OCc2c1c(ccc2)SC3CCCCC3 62a_100010132333_100000210327 [0,1,0,1,0,0|1,0,0]=3 5719 B19R3.86278 O=C1OCc2c1c(ccc2)SC3CCCOC3 62a_100010132333_100000693364 [0,1,0,1,0,0|2,0,0]=4 5720 B19R3.86278 O=C1OCc2c1c(ccc2)SC3CCOCC3 62a_100010132333_100011324220 [0,1,0,1,0,0|2,0,0]=4 5721 B19R3.86278 O=C1OCc2c1c(ccc2)SC3CCSCC3 62a_100010132333_100000069128 [0,1,0,1,0,0|2,0,0]=4 5722 B19R3.182287 NC(=O)c1c(cccc1NC2C3C2COC3)F 27a_100000702821_100011219063 [0,1,0,1,0,0|2,0,0]=4 5723 B19R3.515800 NC(=O)c1c(cccc1N2C3CCC2CC3)F 27a_100000735658_100011219063 [0,1,0,1,0,0|1,0,0]=3 5724 B19R3.101 Nc1ccc2c(c1)c(nn2C3CCCCO3)O 271570a_203496583355_200016994639 [0,1,0,1,0,0|2,0,0]=4 5725 B19R3.101 Oc1nn(c2c1cc(cc2)Br)C3CCCCO3 271570a_203496583355_100015188078 [0,1,0,1,0,0|2,0,0]=4 5726 B19R3.185451 NC(=O)c1cc(ccc1NC2C3C2COC3)Br 27a_100000702821_200000162314 [0,1,0,1,0,0|2,0,0]=4 5727 B19R3.541307 NC(=O)c1cc(ccc1N2C3CCC2CC3)Br 27a_100000735658_200000162314 [0,1,0,1,0,0|1,0,0]=3 5728 B19R3.541307 NC(=O)c1cc(cnc1N2C3CCC2CC3)F 27a_100000735658_100012183597 [0,1,0,1,0,0|2,0,0]=4 5729 B19R3.13443 COC(=O)c1ccccc1CN2CC3CC3C2 2230a_100000741873_100000744672 [0,1,0,1,0,0|2,0,0]=4 5730 B19R3.13443 COC(=O)c1ccccc1CN2CC3CC3C2 269982a_100000741873_100000744672 [0,1,0,1,0,0|2,0,0]=4 5731 B19R3.13443 COC(=O)c1ccccc1CN2CC3CC3C2 34a_100000741873_100000744672 [0,1,0,1,0,0|2,0,0]=4 5732 B19R3.13444 CNC(=O)c1ccccc1NC2C3C2COC3 27a_100000702821_100000155073 [0,1,0,1,0,0|2,0,0]=4 5733 B19R3.13444 COC(=O)c1cccnc1NC2C3C2COC3 27a_100000702821_100000150852 [0,1,0,1,0,0|2,0,0]=4 5734 B19R3.247627 CNC(=O)c1ccccc1N2C3CCC2CC3 27a_100000735658_100000155073 [0,1,0,1,0,0|1,0,0]=3 5735 B19R3.247627 CNC(=O)c1cccnc1N2C3CCC2CC3 27a_100000735658_100000159833 [0,1,0,1,0,0|2,0,0]=4 5736 B19R3.247627 COC(=O)c1cccnc1N2C3CCC2CC3 27a_100000735658_100000150852 [0,1,0,1,0,0|1,0,0]=3 5737 B19R3.247627 COC(=O)c1cncnc1N2C3CCC2CC3 27a_100000735658_100000726419 [0,1,0,1,0,0|2,0,0]=4 5738 B19R3.247627 COC(=O)c1nccnc1N2C3CCC2CC3 27a_100000735658_100000079898 [0,1,0,1,0,0|2,0,0]=4 5739 B19R4.1305110 O=C1OC(c2c1cccc2)N3CC4CC4C3 2230a_100000741873_100009813457 [0,0,0,2,0,0|2,0,0]=4 5740 B19R4.1305110 O=C1OC(c2c1cccc2)N3CC4CC4C3 269982a_100000741873_100009813457 [0,0,0,2,0,0|2,0,0]=4 5741 B15R1.1239 CCCCC(O)c1ccccc1C(=O)C 1458a_106359897921_200000210301 [0,0,1,0,1,0|2,0,0]=4 5742 B15R1.1239 CCCCC(O)c1ccccc1C(=O)[13CH3] 1458a_106359897921_200025704644 [0,0,1,0,1,0|2,0,0]=4 5743 B15R1.1239 CCCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000210211 [0,0,1,0,1,0|2,0,0]=4 5744 B15R1.1239 CCCCN(C)c1ccccc1C(=O)O 269956a_100000183030_200000210301 [0,0,1,0,1,0|1,0,0]=3 5745 B15R1.1239 CCCCN([13CH3])c1ccccc1C(=O)O 269956a_100000183030_200025704644 [0,0,1,0,1,0|1,0,0]=3 5746 B15R2.21 C=Cc1ccccc1C2CCCCC2 271570a_100011290941_200009813743 [1,0,0,0,1,0|1,0,0]=3 5747 B15R2.21 C=Cc1ccccc1C2CCCCN2 271570a_100011290941_100010004825 [1,0,0,0,1,0|2,0,0]=4 5748 B15R2.21 C=Cc1ccccc1N2CCCCC2 271570a_100011290941_100159312943 [1,0,0,0,1,0|2,0,0]=4 5749 B15R2.21 COc1ccccc1C2CCCCC2 34a_100000035073_200000210301 [1,0,0,0,1,0|2,0,0]=4 5750 B15R2.21 COc1ccccc1C2CCCCC2 7a_100000035073_200000210301 [1,0,0,0,1,0|2,0,0]=4 5751 B15R2.21 CSc1ccccc1C2CCCCC2 62a_200000210301_200009813743 [1,0,0,0,1,0|2,0,0]=4 5752 B15R2.21 CSc1ccccc1C2CCCCC2 62a_200009813743_200000210301 [1,0,0,0,1,0|2,0,0]=4 5753 B15R2.21 O=Cc1ccccc1C2=CCCCC2 271570a_100000062251_100000211189 [1,0,0,0,1,0|0,0,2]=4 5754 B15R2.21 [13CH3]Oc1ccccc1C2CCCCC2 34a_100000035073_200025704644 [1,0,0,0,1,0|2,0,0]=4 5755 B15R2.21 [13CH3]Oc1ccccc1C2CCCCC2 7a_100000035073_200025704644 [1,0,0,0,1,0|2,0,0]=4 5756 B15R2.21 [13CH3]Sc1ccccc1C2CCCCC2 62a_200009813743_200025704644 [1,0,0,0,1,0|2,0,0]=4 5757 B15R2.21 [13CH3]Sc1ccccc1C2CCCCC2 62a_200025704644_200009813743 [1,0,0,0,1,0|2,0,0]=4 5758 B15R2.118 O=Cc1ccsc1SC2CCCCC2 62a_100000210327_100009816921 [1,0,0,0,1,0|2,0,0]=4 5759 B15R2.118 O=Cc1ccsc1SC2CCCCC2 62a_100009816921_100000210327 [1,0,0,0,1,0|2,0,0]=4 5760 B15R2.118 O=Cc1cscc1SC2CCCCC2 62a_100000210327_100000685484 [1,0,0,0,1,0|2,0,0]=4 5761 B15R2.118 O=Cc1cscc1SC2CCCCC2 62a_100000685484_100000210327 [1,0,0,0,1,0|2,0,0]=4 5762 B15R2.118 O=Cc1occc1SC2CCCCC2 62a_100000210327_100000756499 [1,0,0,0,1,0|2,0,0]=4 5763 B15R2.118 O=Cc1occc1SC2CCCCC2 62a_100000756499_100000210327 [1,0,0,0,1,0|2,0,0]=4 5764 B15R2.118 O=Cc1sccc1SC2CCCCC2 62a_100000210327_100000766043 [1,0,0,0,1,0|2,0,0]=4 5765 B15R2.118 O=Cc1sccc1SC2CCCCC2 62a_100000766043_100000210327 [1,0,0,0,1,0|2,0,0]=4 5766 B15R2.123 C#Cc1ccccc1NC2CCCC2 34a_100011470550_100000179811 [1,0,0,0,1,0|1,0,1]=4 5767 B15R2.123 C=Cc1ccccc1NC2CCCC2 34a_100012022501_100000179811 [1,0,0,0,1,0|1,0,0]=3 5768 B15R2.123 C=Cc1ccccc1NC2CCOC2 34a_100012022501_100000690089 [1,0,0,0,1,0|2,0,0]=4 5769 B15R2.123 C=Cc1ccccc1OC2CCCC2 271570a_100011290941_100011214840 [1,0,0,0,1,0|2,0,0]=4 5770 B15R2.123 C=Cc1ccccc1SC2CCCC2 62a_100011217020_100011218376 [1,0,0,0,1,0|2,0,0]=4 5771 B15R2.123 C=Cc1ccccc1SC2CCCC2 62a_100011218376_100000179811 [1,0,0,0,1,0|2,0,0]=4 5772 B15R2.123 CCc1ccccc1NC2CCCC2 2230a_100000212081_100000179811 [1,0,0,0,1,0|1,0,1]=4 5773 B15R2.123 CCc1ccccc1NC2CCCC2 34a_100000212081_100000179811 [1,0,0,0,1,0|1,0,1]=4 5774 B15R2.123 CCc1ccccc1NC2CCCC2 7a_100000212081_100000179811 [1,0,0,0,1,0|1,0,1]=4 5775 B15R2.123 COc1ccccc1NC2CCCC2 34a_100000210025_100000179811 [1,0,0,0,1,0|2,0,0]=4 5776 B15R2.123 CSc1ccccc1NC2CCCC2 34a_100000211160_100000179811 [1,0,0,0,1,0|2,0,0]=4 5777 B15R2.123 N#Cc1ccccc1NC2CCCC2 34a_100000211148_100000179811 [1,0,0,0,1,0|1,0,1]=4 5778 B15R2.123 O=Cc1ccccc1C=C2CCCC2 271570a_100010378317_100000211189 [1,0,0,0,1,0|1,0,1]=4 5779 B15R2.123 O=Cc1ccccc1CN2CCCC2 2230a_100000188435_200009853537 [1,0,0,0,1,0|2,0,0]=4 5780 B15R2.123 O=Cc1ccccc1CN2CCCC2 269982a_100000188435_200009853537 [1,0,0,0,1,0|2,0,0]=4 5781 B15R2.123 O=Cc1ccccc1SC2CCCC2 62a_100000210073_100000179811 [1,0,0,0,1,0|1,0,0]=3 5782 B15R2.123 O=Cc1ccccc1SC2CCCC2 62a_100011217020_100000210073 [1,0,0,0,1,0|1,0,0]=3 5783 B15R2.123 O=Cc1ccccc1SC2CCOC2 62a_100000210073_100000690089 [1,0,0,0,1,0|2,0,0]=4 5784 B15R2.123 O=Cc1cccnc1SC2CCCC2 62a_100009816751_100000179811 [1,0,0,0,1,0|2,0,0]=4 5785 B15R2.123 O=Cc1cccnc1SC2CCCC2 62a_100011217020_100009816751 [1,0,0,0,1,0|2,0,0]=4 5786 B15R2.123 O=Cc1ccncc1SC2CCCC2 62a_100011217020_100011934409 [1,0,0,0,1,0|2,0,0]=4 5787 B15R2.123 O=Cc1ccncc1SC2CCCC2 62a_100011934409_100000179811 [1,0,0,0,1,0|2,0,0]=4 5788 B15R2.123 O=Cc1cnccc1SC2CCCC2 62a_100000050567_100000179811 [1,0,0,0,1,0|2,0,0]=4 5789 B15R2.123 O=Cc1cnccc1SC2CCCC2 62a_100011217020_100000050567 [1,0,0,0,1,0|2,0,0]=4 5790 B15R2.123 O=Cc1ncccc1SC2CCCC2 62a_100011217020_100011934733 [1,0,0,0,1,0|2,0,0]=4 5791 B15R2.123 O=Cc1ncccc1SC2CCCC2 62a_100011934733_100000179811 [1,0,0,0,1,0|2,0,0]=4 5792 B15R2.123 OCc1ccccc1NC2CCCC2 34a_100000212039_100000179811 [1,0,0,0,1,0|0,0,1]=3 5793 B15R2.123 OCc1ccccc1NC2CCOC2 34a_100000212039_100000690089 [1,0,0,0,1,0|1,0,1]=4 5794 B15R2.123 OCc1ccccc1OC2CCCC2 34a_100011216872_100000179811 [1,0,0,0,1,0|1,0,1]=4 5795 B15R2.123 OCc1ccccc1SC2CCCC2 62a_100000187465_100000179811 [1,0,0,0,1,0|1,0,1]=4 5796 B15R2.123 OCc1ccccc1SC2CCCC2 62a_100011217020_100000187465 [1,0,0,0,1,0|1,0,1]=4 5797 B15R2.123 OCc1cnccc1NC2CCCC2 27a_100000211070_100000117392 [1,0,0,0,1,0|1,0,1]=4 5798 B15R2.1221 CC(=O)c1ccccc1N2CCCC2 1458a_100025719298_200000210301 [0,0,0,0,2,0|2,0,0]=4 5799 B15R2.1221 [13CH3]C(=O)c1ccccc1N2CCCC2 1458a_100025719298_200025704644 [0,0,0,0,2,0|2,0,0]=4 5800 B15R2.16320 C=C(C)c1ccccc1NC2CCC2 34a_100000037685_100000749161 [0,0,0,0,2,0|2,0,0]=4 5801 B15R2.16320 CC(=O)c1ccccc1SC2CCC2 62a_100000751169_100000749161 [0,0,0,0,2,0|2,0,0]=4 5802 B15R2.16320 CC(=O)c1cccnc1NC2CCC2 27a_100000749019_100009816689 [0,0,0,0,2,0|2,0,0]=4 5803 B15R2.16320 CC(=O)c1cnccc1NC2CCC2 27a_100000749019_100160469449 [0,0,0,0,2,0|2,0,0]=4 5804 B15R2.16320 NC(=O)c1ccccc1NC2CCC2 34a_100000185089_100000749161 [0,0,0,0,2,0|1,0,0]=3 5805 B15R2.16320 NC(=O)c1ccccc1NC2COC2 34a_100000185089_100009818527 [0,0,0,0,2,0|2,0,0]=4 5806 B15R2.16320 NC(=O)c1ccccc1OC2CCC2 34a_100000192804_100000749161 [0,0,0,0,2,0|2,0,0]=4 5807 B15R2.16320 NC(=O)c1ccccc1SC2CCC2 62a_100000162227_100000749161 [0,0,0,0,2,0|2,0,0]=4 5808 B15R2.16320 NC(=O)c1cccnc1NC2CCC2 27a_100000749019_100000162199 [0,0,0,0,2,0|2,0,0]=4 5809 B15R2.16320 NC(=O)c1cnccc1NC2CCC2 27a_100000749019_100000697804 [0,0,0,0,2,0|2,0,0]=4 5810 B15R2.16320 NC(=O)c1ncccc1NC2CCC2 27a_100000749019_200012359670 [0,0,0,0,2,0|2,0,0]=4 5811 B15R2.16320 O=C(O)c1ccccc1SC2CCC2 62a_202125556159_100000749161 [0,0,0,0,2,0|1,0,0]=3 5812 B15R2.16320 O=C(O)c1ccccc1SC2COC2 62a_202125556159_100009818527 [0,0,0,0,2,0|2,0,0]=4 5813 B17R1.4154 CC(=O)Nc1ccccc1NCCCCCF 34a_100011193560_100000729378 [0,0,1,0,0,1|2,0,0]=4 5814 B17R1.4154 CC(=O)Nc1ccccc1NCCCCCO 34a_100011193560_100000746330 [0,0,1,0,0,1|2,0,0]=4 5815 B17R1.4154 CCCCCCNc1ccccc1NC(=O)C 34a_100011193560_100000210314 [0,0,1,0,0,1|1,0,0]=3 5816 B17R1.4154 CCCCCCOc1ccccc1NC(=O)C 34a_100000185124_100000210314 [0,0,1,0,0,1|2,0,0]=4 5817 B17R1.4154 CCCCCCOc1ccccc1NC(=O)C 7a_100000185124_100000210314 [0,0,1,0,0,1|2,0,0]=4 5818 B17R1.4154 CCCCCCSc1ccccc1CC(=O)C 62a_100000210314_100011350739 [0,0,1,0,0,1|2,0,0]=4 5819 B17R1.4154 CCCCCCSc1ccccc1CC(=O)C 62a_100011350739_100000210757 [0,0,1,0,0,1|2,0,0]=4 5820 B17R1.4154 CCCCCCSc1ccccc1CC(=O)N 62a_100000210314_200009814924 [0,0,1,0,0,1|2,0,0]=4 5821 B17R1.4154 CCCCCCSc1ccccc1CC(=O)N 62a_200009814924_100000210757 [0,0,1,0,0,1|2,0,0]=4 5822 B17R1.4154 CCCCCCSc1ccccc1NC(=O)C 62a_100000210314_100000153524 [0,0,1,0,0,1|2,0,0]=4 5823 B17R1.4154 CCCCCCSc1ccccc1NC(=O)N 62a_100000210314_100000742221 [0,0,1,0,0,1|2,0,0]=4 5824 B17R1.4154 CCCCCCSc1ccccc1OC(=O)C 62a_100000051690_100000210757 [0,0,1,0,0,1|2,0,0]=4 5825 B17R1.4154 CCCCCCSc1ccccc1OC(=O)C 62a_100000210314_100000051690 [0,0,1,0,0,1|2,0,0]=4 5826 B17R1.4154 CCCCCNCc1ccccc1CC(=O)O 269956a_100000688124_100000210326 [0,0,1,0,0,1|2,0,0]=4 5827 B17R1.4154 CCCCOCNc1ccccc1NC(=O)C 34a_100011193560_100011995733 [0,0,1,0,0,1|2,0,0]=4 5828 B17R1.4154 CCCOCCNc1ccccc1NC(=O)C 34a_100011193560_100011215938 [0,0,1,0,0,1|2,0,0]=4 5829 B17R1.4154 CCOCCCNc1ccccc1NC(=O)C 34a_100011193560_100012232248 [0,0,1,0,0,1|2,0,0]=4 5830 B17R1.4154 COCCCCNc1ccccc1NC(=O)C 34a_100011193560_100000755781 [0,0,1,0,0,1|2,0,0]=4 5831 B17R1.4919 CCCCC(C)Nc1ccccc1NC(=O)C 34a_100011193560_200011215066 [0,0,1,0,0,1|1,0,0]=3 5832 B17R1.4919 CCCCC(C)Oc1ccccc1NC(=O)C 34a_100000185124_200011215066 [0,0,1,0,0,1|2,0,0]=4 5833 B17R1.4919 CCCCC(C)Oc1ccccc1NC(=O)C 7a_100000185124_200011215066 [0,0,1,0,0,1|2,0,0]=4 5834 B17R1.4919 CCCCC(C)Sc1ccccc1CC(=O)C 62a_100011350739_200011215066 [0,0,1,0,0,1|2,0,0]=4 5835 B17R1.4919 CCCCC(C)Sc1ccccc1CC(=O)C 62a_200011215066_100011350739 [0,0,1,0,0,1|2,0,0]=4 5836 B17R1.4919 CCCCC(C)Sc1ccccc1CC(=O)N 62a_200009814924_200011215066 [0,0,1,0,0,1|2,0,0]=4 5837 B17R1.4919 CCCCC(C)Sc1ccccc1CC(=O)N 62a_200011215066_200009814924 [0,0,1,0,0,1|2,0,0]=4 5838 B17R1.4919 CCCCC(C)Sc1ccccc1NC(=O)C 62a_200011215066_100000153524 [0,0,1,0,0,1|2,0,0]=4 5839 B17R1.4919 CCCCC(C)Sc1ccccc1NC(=O)N 62a_200011215066_100000742221 [0,0,1,0,0,1|2,0,0]=4 5840 B17R1.4919 CCCCC(C)Sc1ccccc1OC(=O)C 62a_100000051690_200011215066 [0,0,1,0,0,1|2,0,0]=4 5841 B17R1.4919 CCCCC(C)Sc1ccccc1OC(=O)C 62a_200011215066_100000051690 [0,0,1,0,0,1|2,0,0]=4 5842 B17R1.6218 CCCC(CC)Oc1ccccc1NC(=O)C 7a_100000185124_100011219200 [0,0,1,0,0,1|2,0,0]=4 5843 B17R1.6218 CCCC(CC)Sc1ccccc1CC(=O)C 62a_100011219200_100011350739 [0,0,1,0,0,1|2,0,0]=4 5844 B17R1.6218 CCCC(CC)Sc1ccccc1CC(=O)C 62a_100011350739_100011219200 [0,0,1,0,0,1|2,0,0]=4 5845 B17R1.6218 CCCC(CC)Sc1ccccc1CC(=O)N 62a_100011219200_200009814924 [0,0,1,0,0,1|2,0,0]=4 5846 B17R1.6218 CCCC(CC)Sc1ccccc1CC(=O)N 62a_200009814924_100011219200 [0,0,1,0,0,1|2,0,0]=4 5847 B17R1.6218 CCCC(CC)Sc1ccccc1NC(=O)C 62a_100011219200_100000153524 [0,0,1,0,0,1|2,0,0]=4 5848 B17R1.6218 CCCC(CC)Sc1ccccc1NC(=O)N 62a_100011219200_100000742221 [0,0,1,0,0,1|2,0,0]=4 5849 B17R1.6218 CCCC(CC)Sc1ccccc1OC(=O)C 62a_100000051690_100011219200 [0,0,1,0,0,1|2,0,0]=4 5850 B17R1.6218 CCCC(CC)Sc1ccccc1OC(=O)C 62a_100011219200_100000051690 [0,0,1,0,0,1|2,0,0]=4 5851 B17R1.31428 CCCC(CC)NCc1ccccc1B(O)O 2230a_100000747048_100009814197 [0,0,1,0,0,1|1,0,1]=4 5852 B17R1.31428 CCCC(CC)NCc1ccccc1C(=O)O 269956a_100015183376_100011219200 [0,0,1,0,0,1|0,0,0]=2 5853 B17R1.31428 CCCC(CC)NCc1ccccc1[N+](=O)[O-] 2230a_100000747048_100000181388 [0,0,1,0,0,1|1,0,1]=4 5854 B17R1.31428 CCCC(CC)NCc1ccccc1[N+](=O)[O-] 270004a_100000740939_100000687865 [0,0,1,0,0,1|1,0,1]=4 5855 B17R1.31428 CCCC(CC)NCc1ccccc1[N+](=O)[O-] 270004a_100000747048_100000186027 [0,0,1,0,0,1|1,0,1]=4 5856 B17R2.262 C#Cc1ccccc1CNC2CCCCC2 270004a_100020634229_100000210434 [1,0,0,0,0,1|1,0,1]=4 5857 B17R2.262 C#Cc1ccccc1CNC2CCCCC2 34a_100020634229_100000210327 [1,0,0,0,0,1|1,0,1]=4 5858 B17R2.262 C#Cc1ccccc1NCC2CCCCC2 34a_100011470550_100000211423 [1,0,0,0,0,1|1,0,1]=4 5859 B17R2.262 C=Cc1ccccc1CNC2CCCCC2 271570a_100011290941_200000195946 [1,0,0,0,0,1|1,0,0]=3 5860 B17R2.262 C=Cc1ccccc1COC2CCCCC2 34a_200010883148_100000210327 [1,0,0,0,0,1|2,0,0]=4 5861 B17R2.262 C=Cc1ccccc1COC2CCCCC2 7a_200010883148_100000210327 [1,0,0,0,0,1|2,0,0]=4 5862 B17R2.262 C=Cc1ccccc1NCC2CCCCC2 34a_100012022501_100000211423 [1,0,0,0,0,1|1,0,0]=3 5863 B17R2.262 C=Cc1ccccc1NCC2CCCCO2 34a_100012022501_100000211543 [1,0,0,0,0,1|2,0,0]=4 5864 B17R2.262 C=Cc1ccccc1NCC2CCCOC2 34a_100012022501_100000741521 [1,0,0,0,0,1|2,0,0]=4 5865 B17R2.262 C=Cc1ccccc1NCC2CCOCC2 34a_100012022501_100000754603 [1,0,0,0,0,1|2,0,0]=4 5866 B17R2.262 CCc1ccccc1CNC2CCCCC2 207a_100000182618_100011219594 [1,0,0,0,0,1|1,0,1]=4 5867 B17R2.262 CCc1ccccc1CNC2CCCCC2 270004a_100000182618_100011219594 [1,0,0,0,0,1|1,0,1]=4 5868 B17R2.262 CCc1ccccc1NCC2CCCCC2 2230a_100000212081_100000211423 [1,0,0,0,0,1|1,0,1]=4 5869 B17R2.262 CCc1ccccc1NCC2CCCCC2 34a_100000212081_100000211423 [1,0,0,0,0,1|1,0,1]=4 5870 B17R2.262 CCc1ccccc1NCC2CCCCC2 7a_100000212081_100000211423 [1,0,0,0,0,1|1,0,1]=4 5871 B17R2.262 COc1ccccc1CNC2CCCCC2 207a_100000182618_100000169842 [1,0,0,0,0,1|2,0,0]=4 5872 B17R2.262 COc1ccccc1CNC2CCCCC2 2230a_100000182618_100000210004 [1,0,0,0,0,1|2,0,0]=4 5873 B17R2.262 COc1ccccc1CNC2CCCCC2 270004a_100000182618_100000169842 [1,0,0,0,0,1|2,0,0]=4 5874 B17R2.262 COc1ccccc1CNC2CCCCC2 270004a_100000188900_100000210434 [1,0,0,0,0,1|2,0,0]=4 5875 B17R2.262 COc1ccccc1CNC2CCCCC2 34a_100000182618_100000210004 [1,0,0,0,0,1|2,0,0]=4 5876 B17R2.262 COc1ccccc1CNC2CCCCC2 34a_100000184332_200000210301 [1,0,0,0,0,1|2,0,0]=4 5877 B17R2.262 COc1ccccc1CNC2CCCCC2 34a_100000188900_100000210327 [1,0,0,0,0,1|2,0,0]=4 5878 B17R2.262 COc1ccccc1NCC2CCCCC2 34a_100000210025_100000211423 [1,0,0,0,0,1|2,0,0]=4 5879 B17R2.262 CSc1ccccc1CNC2CCCCC2 207a_100000182618_100011217347 [1,0,0,0,0,1|2,0,0]=4 5880 B17R2.262 CSc1ccccc1CNC2CCCCC2 2230a_100000182618_100000699184 [1,0,0,0,0,1|2,0,0]=4 5881 B17R2.262 CSc1ccccc1CNC2CCCCC2 270004a_100000182618_100011217347 [1,0,0,0,0,1|2,0,0]=4 5882 B17R2.262 CSc1ccccc1CNC2CCCCC2 270004a_102495365025_100000210434 [1,0,0,0,0,1|2,0,0]=4 5883 B17R2.262 CSc1ccccc1CNC2CCCCC2 34a_100000182618_100000699184 [1,0,0,0,0,1|2,0,0]=4 5884 B17R2.262 CSc1ccccc1CNC2CCCCC2 34a_102495365025_100000210327 [1,0,0,0,0,1|2,0,0]=4 5885 B17R2.262 CSc1ccccc1CNC2CCCCC2 62a_200000195946_200000210301 [1,0,0,0,0,1|2,0,0]=4 5886 B17R2.262 CSc1ccccc1CNC2CCCCC2 62a_200000210301_200000195946 [1,0,0,0,0,1|2,0,0]=4 5887 B17R2.262 CSc1ccccc1NCC2CCCCC2 34a_100000211160_100000211423 [1,0,0,0,0,1|2,0,0]=4 5888 B17R2.262 N#Cc1ccccc1CNC2CCCCC2 2230a_100000182618_100000181865 [1,0,0,0,0,1|1,0,1]=4 5889 B17R2.262 N#Cc1ccccc1CNC2CCCCC2 270004a_100016989011_100000210434 [1,0,0,0,0,1|1,0,1]=4 5890 B17R2.262 N#Cc1ccccc1CNC2CCCCC2 34a_100000182618_100000181865 [1,0,0,0,0,1|1,0,1]=4 5891 B17R2.262 N#Cc1ccccc1CNC2CCCCC2 34a_100016989011_100000210327 [1,0,0,0,0,1|1,0,1]=4 5892 B17R2.262 N#Cc1ccccc1NCC2CCCCC2 34a_100000211148_100000211423 [1,0,0,0,0,1|1,0,1]=4 5893 B17R2.262 O=Cc1ccccc1C=CC2CCCCC2 271570a_100016283615_100000211189 [1,0,0,0,0,1|1,0,0]=3 5894 B17R2.262 O=Cc1ccccc1CNC2CCCCC2 2230a_100000182618_200009853537 [1,0,0,0,0,1|0,0,0]=2 5895 B17R2.262 O=Cc1ccccc1CNC2CCCCC2 34a_100000182618_200009853537 [1,0,0,0,0,1|0,0,0]=2 5896 B17R2.262 O=Cc1ccccc1CNC2CCCOC2 2230a_100000719290_200009853537 [1,0,0,0,0,1|1,0,0]=3 5897 B17R2.262 O=Cc1ccccc1CNC2CCCOC2 34a_100000719290_200009853537 [1,0,0,0,0,1|1,0,0]=3 5898 B17R2.262 O=Cc1ccccc1CNC2CCOCC2 2230a_100000741149_200009853537 [1,0,0,0,0,1|1,0,0]=3 5899 B17R2.262 O=Cc1ccccc1CNC2CCOCC2 34a_100000741149_200009853537 [1,0,0,0,0,1|1,0,0]=3 5900 B17R2.262 O=Cc1ccccc1CNC2CCSCC2 2230a_100000748639_200009853537 [1,0,0,0,0,1|1,0,0]=3 5901 B17R2.262 O=Cc1ccccc1CNC2CCSCC2 34a_100000748639_200009853537 [1,0,0,0,0,1|1,0,0]=3 5902 B17R2.262 O=Cc1ccccc1COC2CCCCC2 34a_100000210231_200009853537 [1,0,0,0,0,1|1,0,0]=3 5903 B17R2.262 O=Cc1ccccc1COC2CCCCC2 7a_100000210231_200009853537 [1,0,0,0,0,1|1,0,0]=3 5904 B17R2.262 O=Cc1ccccc1COC2CCCCO2 34a_100000033831_200009853537 [1,0,0,0,0,1|2,0,0]=4 5905 B17R2.262 O=Cc1ccccc1COC2CCCOC2 34a_100000754041_200009853537 [1,0,0,0,0,1|2,0,0]=4 5906 B17R2.262 O=Cc1ccccc1COC2CCCSC2 7a_100015962668_200009853537 [1,0,0,0,0,1|2,0,0]=4 5907 B17R2.262 O=Cc1ccccc1COC2CCOCC2 34a_100000744328_200009853537 [1,0,0,0,0,1|2,0,0]=4 5908 B17R2.262 O=Cc1ccccc1COC2CCSCC2 34a_100000731022_200009853537 [1,0,0,0,0,1|2,0,0]=4 5909 B17R2.262 O=Cc1ccccc1COC2CCSCC2 7a_100000731022_200009853537 [1,0,0,0,0,1|2,0,0]=4 5910 B17R2.262 O=Cc1ccccc1CSC2CCCCC2 62a_100000210327_200009853537 [1,0,0,0,0,1|1,0,0]=3 5911 B17R2.262 O=Cc1ccccc1CSC2CCCCC2 62a_200009853537_100000210327 [1,0,0,0,0,1|1,0,0]=3 5912 B17R2.262 O=Cc1ccccc1CSC2CCCOC2 62a_200009853537_100000693364 [1,0,0,0,0,1|2,0,0]=4 5913 B17R2.262 O=Cc1ccccc1CSC2CCOCC2 62a_200009853537_100011324220 [1,0,0,0,0,1|2,0,0]=4 5914 B17R2.262 O=Cc1ccccc1CSC2CCSCC2 62a_200009853537_100000069128 [1,0,0,0,0,1|2,0,0]=4 5915 B17R2.262 O=Cc1ccccc1SCC2CCCCC2 62a_100000210073_100000211423 [1,0,0,0,0,1|1,0,0]=3 5916 B17R2.262 O=Cc1ccccc1SCC2CCCCC2 62a_100000211423_100000210073 [1,0,0,0,0,1|1,0,0]=3 5917 B17R2.262 O=Cc1ccccc1SCC2CCCCO2 62a_100000210073_100000211543 [1,0,0,0,0,1|2,0,0]=4 5918 B17R2.262 O=Cc1ccccc1SCC2CCCCO2 62a_100000211543_100000210073 [1,0,0,0,0,1|2,0,0]=4 5919 B17R2.262 O=Cc1ccccc1SCC2CCCOC2 62a_100000210073_100000741521 [1,0,0,0,0,1|2,0,0]=4 5920 B17R2.262 O=Cc1ccccc1SCC2CCCOC2 62a_100000741521_100000210073 [1,0,0,0,0,1|2,0,0]=4 5921 B17R2.262 O=Cc1ccccc1SCC2CCOCC2 62a_100000210073_100000749018 [1,0,0,0,0,1|2,0,0]=4 5922 B17R2.262 O=Cc1ccccc1SCC2CCOCC2 62a_100000754603_100000210073 [1,0,0,0,0,1|2,0,0]=4 5923 B17R2.262 O=Cc1cccnc1C=CC2CCCCC2 271570a_100016283615_100009816751 [1,0,0,0,0,1|2,0,0]=4 5924 B17R2.262 O=Cc1cccnc1SCC2CCCCC2 62a_100000211423_100009816751 [1,0,0,0,0,1|2,0,0]=4 5925 B17R2.262 O=Cc1cccnc1SCC2CCCCC2 62a_100009816751_100000211423 [1,0,0,0,0,1|2,0,0]=4 5926 B17R2.262 O=Cc1ccncc1C=CC2CCCCC2 271570a_100016283615_100011934409 [1,0,0,0,0,1|2,0,0]=4 5927 B17R2.262 O=Cc1ccncc1SCC2CCCCC2 62a_100000211423_100011934409 [1,0,0,0,0,1|2,0,0]=4 5928 B17R2.262 O=Cc1ccncc1SCC2CCCCC2 62a_100011934409_100000211423 [1,0,0,0,0,1|2,0,0]=4 5929 B17R2.262 O=Cc1cnccc1C=CC2CCCCC2 271570a_100016283615_100000050567 [1,0,0,0,0,1|2,0,0]=4 5930 B17R2.262 O=Cc1cnccc1SCC2CCCCC2 62a_100000050567_100000211423 [1,0,0,0,0,1|2,0,0]=4 5931 B17R2.262 O=Cc1cnccc1SCC2CCCCC2 62a_100000211423_100000050567 [1,0,0,0,0,1|2,0,0]=4 5932 B17R2.262 O=Cc1ncccc1C=CC2CCCCC2 271570a_100016283615_100011934733 [1,0,0,0,0,1|2,0,0]=4 5933 B17R2.262 O=Cc1ncccc1SCC2CCCCC2 62a_100000211423_100011934733 [1,0,0,0,0,1|2,0,0]=4 5934 B17R2.262 O=Cc1ncccc1SCC2CCCCC2 62a_100011934733_100000211423 [1,0,0,0,0,1|2,0,0]=4 5935 B17R2.262 OCc1ccccc1C=CC2CCCCC2 271570a_100016283615_100000187465 [1,0,0,0,0,1|1,0,1]=4 5936 B17R2.262 OCc1ccccc1CNC2CCCCC2 2230a_100000182618_100009816955 [1,0,0,0,0,1|0,0,1]=3 5937 B17R2.262 OCc1ccccc1CNC2CCCCC2 270004a_100000743596_100000210434 [1,0,0,0,0,1|0,0,1]=3 5938 B17R2.262 OCc1ccccc1CNC2CCCCC2 34a_100000182618_100009816955 [1,0,0,0,0,1|0,0,1]=3 5939 B17R2.262 OCc1ccccc1CNC2CCCOC2 2230a_100000719290_100009816955 [1,0,0,0,0,1|1,0,1]=4 5940 B17R2.262 OCc1ccccc1CNC2CCCOC2 270004a_100000743596_100000753404 [1,0,0,0,0,1|1,0,1]=4 5941 B17R2.262 OCc1ccccc1CNC2CCCOC2 34a_100000719290_100009816955 [1,0,0,0,0,1|1,0,1]=4 5942 B17R2.262 OCc1ccccc1CNC2CCCSC2 270004a_100000743596_100000057913 [1,0,0,0,0,1|1,0,1]=4 5943 B17R2.262 OCc1ccccc1CNC2CCNCC2 270004a_100000743596_100015192401 [1,0,0,0,0,1|1,0,1]=4 5944 B17R2.262 OCc1ccccc1CNC2CCOCC2 2230a_100000741149_100009816955 [1,0,0,0,0,1|1,0,1]=4 5945 B17R2.262 OCc1ccccc1CNC2CCOCC2 270004a_100000743596_100011217826 [1,0,0,0,0,1|1,0,1]=4 5946 B17R2.262 OCc1ccccc1CNC2CCOCC2 34a_100000741149_100009816955 [1,0,0,0,0,1|1,0,1]=4 5947 B17R2.262 OCc1ccccc1CNC2CCSCC2 2230a_100000748639_100009816955 [1,0,0,0,0,1|1,0,1]=4 5948 B17R2.262 OCc1ccccc1CNC2CCSCC2 270004a_100000743596_100000203788 [1,0,0,0,0,1|1,0,1]=4 5949 B17R2.262 OCc1ccccc1CNC2CCSCC2 34a_100000748639_100009816955 [1,0,0,0,0,1|1,0,1]=4 5950 B17R2.262 OCc1ccccc1COC2CCCCC2 34a_100000210231_100009816955 [1,0,0,0,0,1|1,0,1]=4 5951 B17R2.262 OCc1ccccc1COC2CCCCC2 7a_100000210231_100009816955 [1,0,0,0,0,1|1,0,1]=4 5952 B17R2.262 OCc1ccccc1CSC2CCCCC2 62a_100000210327_100009816955 [1,0,0,0,0,1|1,0,1]=4 5953 B17R2.262 OCc1ccccc1CSC2CCCCC2 62a_100009816955_100000210327 [1,0,0,0,0,1|1,0,1]=4 5954 B17R2.262 OCc1ccccc1NCC2CCCCC2 34a_100000212039_100000211423 [1,0,0,0,0,1|0,0,1]=3 5955 B17R2.262 OCc1ccccc1NCC2CCCCO2 34a_100000212039_100000211543 [1,0,0,0,0,1|1,0,1]=4 5956 B17R2.262 OCc1ccccc1NCC2CCCOC2 34a_100000212039_100000741521 [1,0,0,0,0,1|1,0,1]=4 5957 B17R2.262 OCc1ccccc1NCC2CCOCC2 34a_100000212039_100000754603 [1,0,0,0,0,1|1,0,1]=4 5958 B17R2.262 OCc1ccccc1OCC2CCCCC2 34a_100011216872_100000211423 [1,0,0,0,0,1|1,0,1]=4 5959 B17R2.262 OCc1ccccc1SCC2CCCCC2 62a_100000187465_100000211423 [1,0,0,0,0,1|1,0,1]=4 5960 B17R2.262 OCc1ccccc1SCC2CCCCC2 62a_100000211423_100000187465 [1,0,0,0,0,1|1,0,1]=4 5961 B17R2.262 OCc1cnccc1NCC2CCCCC2 27a_100000210473_100000117392 [1,0,0,0,0,1|1,0,1]=4 5962 B17R2.262 [13CH3]Oc1ccccc1CNC2CCCCC2 34a_100000184332_200025704644 [1,0,0,0,0,1|2,0,0]=4 5963 B17R2.262 [13CH3]Sc1ccccc1CNC2CCCCC2 62a_200000195946_200025704644 [1,0,0,0,0,1|2,0,0]=4 5964 B17R2.262 [13CH3]Sc1ccccc1CNC2CCCCC2 62a_200025704644_200000195946 [1,0,0,0,0,1|2,0,0]=4 5965 B17R2.68587 C#Cc1ccccc1NC2CCCCCC2 34a_100011470550_100011217769 [1,0,0,0,0,1|1,0,1]=4 5966 B17R2.68587 C=Cc1ccccc1NC2CCCCCC2 34a_100012022501_100011217769 [1,0,0,0,0,1|1,0,0]=3 5967 B17R2.68587 CCc1ccccc1NC2CCCCCC2 34a_100000212081_100011217769 [1,0,0,0,0,1|1,0,1]=4 5968 B17R2.68587 COc1ccccc1NC2CCCCCC2 34a_100000210025_100011217769 [1,0,0,0,0,1|2,0,0]=4 5969 B17R2.68587 CSc1ccccc1NC2CCCCCC2 34a_100000211160_100011217769 [1,0,0,0,0,1|2,0,0]=4 5970 B17R2.68587 N#Cc1ccccc1NC2CCCCCC2 34a_100000211148_100011217769 [1,0,0,0,0,1|1,0,1]=4 5971 B17R2.68587 O=Cc1ccccc1CN2CCCCCC2 2230a_100000185865_200009853537 [1,0,0,0,0,1|2,0,0]=4 5972 B17R2.68587 O=Cc1ccccc1CN2CCCCCC2 269982a_100000185865_200009853537 [1,0,0,0,0,1|2,0,0]=4 5973 B17R2.68587 O=Cc1ccccc1CN2CCCCCC2 34a_100000185865_200009853537 [1,0,0,0,0,1|2,0,0]=4 5974 B17R2.68587 O=Cc1ccccc1CN2CCCOCC2 2230a_100000685342_200009853537 [1,0,0,0,0,1|2,0,0]=4 5975 B17R2.68587 O=Cc1ccccc1CN2CCCOCC2 269982a_100000685342_200009853537 [1,0,0,0,0,1|2,0,0]=4 5976 B17R2.68587 O=Cc1ccccc1CN2CCCOCC2 34a_100000685342_200009853537 [1,0,0,0,0,1|2,0,0]=4 5977 B17R2.68587 O=Cc1ccccc1SC2CCCCCC2 62a_100000210073_100011217769 [1,0,0,0,0,1|1,0,0]=3 5978 B17R2.68587 O=Cc1ccccc1SC2CCCCCC2 62a_100011217769_100000210073 [1,0,0,0,0,1|1,0,0]=3 5979 B17R2.68587 O=Cc1cccnc1SC2CCCCCC2 62a_100009816751_100011217769 [1,0,0,0,0,1|2,0,0]=4 5980 B17R2.68587 O=Cc1cccnc1SC2CCCCCC2 62a_100011217769_100009816751 [1,0,0,0,0,1|2,0,0]=4 5981 B17R2.68587 O=Cc1ccncc1SC2CCCCCC2 62a_100011217769_100011934409 [1,0,0,0,0,1|2,0,0]=4 5982 B17R2.68587 O=Cc1ccncc1SC2CCCCCC2 62a_100011934409_100011217769 [1,0,0,0,0,1|2,0,0]=4 5983 B17R2.68587 O=Cc1cnccc1SC2CCCCCC2 62a_100000050567_100011217769 [1,0,0,0,0,1|2,0,0]=4 5984 B17R2.68587 O=Cc1cnccc1SC2CCCCCC2 62a_100011217769_100000050567 [1,0,0,0,0,1|2,0,0]=4 5985 B17R2.68587 O=Cc1ncccc1SC2CCCCCC2 62a_100011217769_100011934733 [1,0,0,0,0,1|2,0,0]=4 5986 B17R2.68587 O=Cc1ncccc1SC2CCCCCC2 62a_100011934733_100011217769 [1,0,0,0,0,1|2,0,0]=4 5987 B17R2.68587 OCc1ccccc1NC2CCCCCC2 34a_100000212039_100011217769 [1,0,0,0,0,1|0,0,1]=3 5988 B17R2.68587 OCc1ccccc1OC2CCCCCC2 34a_100011216872_100011217769 [1,0,0,0,0,1|1,0,1]=4 5989 B17R2.68587 OCc1ccccc1SC2CCCCCC2 62a_100000187465_100011217769 [1,0,0,0,0,1|1,0,1]=4 5990 B17R2.68587 OCc1ccccc1SC2CCCCCC2 62a_100011217769_100000187465 [1,0,0,0,0,1|1,0,1]=4 5991 B17R2.68587 OCc1cnccc1NC2CCCCCC2 27a_100000210984_100000117392 [1,0,0,0,0,1|1,0,1]=4 5992 B17R2.142 C=C(C)c1cccc(n1)NC2CCCCC2 271570a_100000694244_200011960440 [0,0,0,0,1,1|2,0,0]=4 5993 B17R2.142 CC(=O)c1cccc(c1)OC2CCCCC2 1458a_100011235846_200000210301 [0,0,0,0,1,1|2,0,0]=4 5994 B17R2.142 CC(=O)c1cccc(c1)OC2CCCCC2 34a_100000211620_100000210327 [0,0,0,0,1,1|2,0,0]=4 5995 B17R2.142 CC(=O)c1cccc(c1)OC2CCCCC2 7a_100000211620_100000210327 [0,0,0,0,1,1|2,0,0]=4 5996 B17R2.142 CC(=O)c1cccc(c1)SC2CCCCC2 62a_100000210093_100000210327 [0,0,0,0,1,1|2,0,0]=4 5997 B17R2.142 CC(=O)c1cccc(c1)SC2CCCCC2 62a_100000210327_100000210093 [0,0,0,0,1,1|2,0,0]=4 5998 B17R2.142 CC(=O)c1cccc(n1)NC2CCCCC2 27a_100000182618_100000085735 [0,0,0,0,1,1|1,0,0]=3 5999 B17R2.142 CC(=O)c1cccc(n1)NC2CCCOC2 27a_100000719290_100000085735 [0,0,0,0,1,1|2,0,0]=4 6000 B17R2.142 CC(=O)c1cccc(n1)NC2CCOCC2 27a_100000741149_100000085735 [0,0,0,0,1,1|2,0,0]=4 6001 B17R2.142 CC(=O)c1cccc(n1)NC2CCSCC2 27a_100000748639_100000085735 [0,0,0,0,1,1|2,0,0]=4 6002 B17R2.142 CC(=O)c1cccc(n1)SC2CCCCC2 62a_100000210327_100009816502 [0,0,0,0,1,1|2,0,0]=4 6003 B17R2.142 CC(=O)c1cccc(n1)SC2CCCCC2 62a_100009816502_100000210327 [0,0,0,0,1,1|2,0,0]=4 6004 B17R2.142 CC(=O)c1ccnc(n1)NC2CCCCC2 27a_100000182618_100010643186 [0,0,0,0,1,1|2,0,0]=4 6005 B17R2.142 CC(O)c1cccc(c1)NC2CCCCC2 34a_100011217120_100000210327 [0,0,0,0,1,1|1,0,1]=4 6006 B17R2.142 CC(O)c1cccc(n1)NC2CCCCC2 27a_100000182618_100009820884 [0,0,0,0,1,1|1,0,1]=4 6007 B17R2.142 NC(=O)c1cc(ccn1)NC2CCCCC2 27a_100000182618_100000229564 [0,0,0,0,1,1|2,0,0]=4 6008 B17R2.142 NC(=O)c1cccc(c1)NC2CCCCC2 34a_100000217337_100000210327 [0,0,0,0,1,1|1,0,0]=3 6009 B17R2.142 NC(=O)c1cccc(c1)NC2CCCOC2 34a_100000217337_100000693364 [0,0,0,0,1,1|2,0,0]=4 6010 B17R2.142 NC(=O)c1cccc(c1)NC2CCSCC2 34a_100000217337_100000069128 [0,0,0,0,1,1|2,0,0]=4 6011 B17R2.142 NC(=O)c1cccc(c1)OC2CCCCC2 34a_100000162170_100000210327 [0,0,0,0,1,1|2,0,0]=4 6012 B17R2.142 NC(=O)c1cccc(c1)OC2CCCCC2 7a_100000162170_100000210327 [0,0,0,0,1,1|2,0,0]=4 6013 B17R2.142 NC(=O)c1cccc(c1)SC2CCCCC2 62a_100000162208_100000210327 [0,0,0,0,1,1|2,0,0]=4 6014 B17R2.142 NC(=O)c1cccc(c1)SC2CCCCC2 62a_100000210327_100000162208 [0,0,0,0,1,1|2,0,0]=4 6015 B17R2.142 NC(=O)c1cccc(n1)NC2CCCCC2 27a_100000182618_100011834053 [0,0,0,0,1,1|1,0,0]=3 6016 B17R2.142 NC(=O)c1cccc(n1)NC2CCCOC2 27a_100000719290_100011834053 [0,0,0,0,1,1|2,0,0]=4 6017 B17R2.142 NC(=O)c1cccc(n1)NC2CCOCC2 27a_100000741149_100011834053 [0,0,0,0,1,1|2,0,0]=4 6018 B17R2.142 NC(=O)c1cccc(n1)NC2CCSCC2 27a_100000748639_100011834053 [0,0,0,0,1,1|2,0,0]=4 6019 B17R2.142 NC(=O)c1cccc(n1)SC2CCCCC2 62a_100000210327_100011834053 [0,0,0,0,1,1|2,0,0]=4 6020 B17R2.142 NC(=O)c1cccc(n1)SC2CCCCC2 62a_100011834053_100000210327 [0,0,0,0,1,1|2,0,0]=4 6021 B17R2.142 NC(=O)c1ccnc(n1)NC2CCCCC2 27a_100000182618_100000066158 [0,0,0,0,1,1|2,0,0]=4 6022 B17R2.142 NC(=O)c1cncc(n1)NC2CCCCC2 27a_100000182618_100000764846 [0,0,0,0,1,1|2,0,0]=4 6023 B17R2.142 O=[N+]([O-])c1cccc(c1)NC2CCCCC2 34a_100000184103_100000210327 [0,0,0,0,1,1|1,0,1]=4 6024 B17R2.142 [13CH3]C(=O)c1cccc(c1)OC2CCCCC2 1458a_100011235846_200025704644 [0,0,0,0,1,1|2,0,0]=4 6025 B17R2.855 CC(=O)Cc1ccccc1SC2CCCC2 62a_100011217020_100011350739 [0,0,0,0,1,1|2,0,0]=4 6026 B17R2.855 CC(=O)Cc1ccccc1SC2CCCC2 62a_100011350739_100000179811 [0,0,0,0,1,1|2,0,0]=4 6027 B17R2.855 CC(=O)Nc1ccccc1NC2CCCC2 34a_100011193560_100000179811 [0,0,0,0,1,1|1,0,0]=3 6028 B17R2.855 CC(=O)Nc1ccccc1NC2CCOC2 34a_100011193560_100000690089 [0,0,0,0,1,1|2,0,0]=4 6029 B17R2.855 CC(=O)Nc1ccccc1OC2CCCC2 11a_100015206927_100015343762 [0,0,0,0,1,1|2,0,0]=4 6030 B17R2.855 CC(=O)Nc1ccccc1OC2CCCC2 1626a_100015206927_100015343762 [0,0,0,0,1,1|2,0,0]=4 6031 B17R2.855 CC(=O)Nc1ccccc1OC2CCCC2 22a_100015206927_100000070787 [0,0,0,0,1,1|2,0,0]=4 6032 B17R2.855 CC(=O)Nc1ccccc1OC2CCCC2 34a_100000185124_100000179811 [0,0,0,0,1,1|2,0,0]=4 6033 B17R2.855 CC(=O)Nc1ccccc1OC2CCCC2 7a_100000185124_100000179811 [0,0,0,0,1,1|2,0,0]=4 6034 B17R2.855 CC(=O)Nc1ccccc1SC2CCCC2 62a_100011217020_100000153524 [0,0,0,0,1,1|2,0,0]=4 6035 B17R2.855 CC(=O)Oc1ccccc1SC2CCCC2 62a_100000051690_100000179811 [0,0,0,0,1,1|2,0,0]=4 6036 B17R2.855 CC(=O)Oc1ccccc1SC2CCCC2 62a_100011217020_100000051690 [0,0,0,0,1,1|2,0,0]=4 6037 B17R2.855 NC(=O)Cc1ccccc1SC2CCCC2 62a_100011217020_200009814924 [0,0,0,0,1,1|2,0,0]=4 6038 B17R2.855 NC(=O)Cc1ccccc1SC2CCCC2 62a_200009814924_100000179811 [0,0,0,0,1,1|2,0,0]=4 6039 B17R2.855 NC(=O)Nc1ccccc1SC2CCCC2 62a_100011217020_100000742221 [0,0,0,0,1,1|2,0,0]=4 6040 B19R2.8826 C=C(C)c1ccccc1NCOC2CCCCC2 34a_100000037685_100011935260 [0,0,0,0,0,2|2,0,0]=4 6041 B19R2.8826 CC(=O)c1ccccc1SCCC2CCCCC2 62a_100000751169_100012355289 [0,0,0,0,0,2|2,0,0]=4 6042 B19R2.8826 CC(=O)c1ccccc1SCOC2CCCCC2 62a_100000751169_100011935260 [0,0,0,0,0,2|2,0,0]=4 6043 B19R2.8826 CC(=O)c1cccnc1NCCC2CCCCC2 27a_100000738074_100009816689 [0,0,0,0,0,2|2,0,0]=4 6044 B19R2.8826 CC(=O)c1cnccc1NCCC2CCCCC2 27a_100000738074_100160469449 [0,0,0,0,0,2|2,0,0]=4 6045 B19R2.8826 CC(O)c1ccccc1NCCC2CCCCC2 2230a_100011405641_100012355289 [0,0,0,0,0,2|1,0,1]=4 6046 B19R2.8826 CC(O)c1ccccc1NCOC2CCCCC2 2230a_100011405641_100011935260 [0,0,0,0,0,2|1,0,1]=4 6047 B19R2.8826 NC(=O)c1ccccc1NCCC2CCCCC2 34a_100000185089_100011209188 [0,0,0,0,0,2|1,0,0]=3 6048 B19R2.8826 NC(=O)c1ccccc1NCCC2CCOCC2 34a_100000185089_100011934994 [0,0,0,0,0,2|2,0,0]=4 6049 B19R2.8826 NC(=O)c1ccccc1NCCN2CCCCC2 34a_100000185089_100000739454 [0,0,0,0,0,2|2,0,0]=4 6050 B19R2.8826 NC(=O)c1ccccc1NCOC2CCCCC2 34a_100000185089_100011935260 [0,0,0,0,0,2|1,0,0]=3 6051 B19R2.8826 NC(=O)c1ccccc1OCCC2CCCCC2 34a_100000192804_100011209188 [0,0,0,0,0,2|2,0,0]=4 6052 B19R2.8826 NC(=O)c1ccccc1OCCC2CCCCC2 7a_100000192804_100011273959 [0,0,0,0,0,2|2,0,0]=4 6053 B19R2.8826 NC(=O)c1ccccc1OCOC2CCCCC2 34a_100000192804_100011935260 [0,0,0,0,0,2|2,0,0]=4 6054 B19R2.8826 NC(=O)c1ccccc1OCOC2CCCCC2 7a_100000192804_100011935260 [0,0,0,0,0,2|2,0,0]=4 6055 B19R2.8826 NC(=O)c1ccccc1SCCC2CCCCC2 62a_100000162227_100012355289 [0,0,0,0,0,2|2,0,0]=4 6056 B19R2.8826 NC(=O)c1ccccc1SCCC2CCCCC2 62a_100012355289_100000162227 [0,0,0,0,0,2|2,0,0]=4 6057 B19R2.8826 NC(=O)c1ccccc1SCOC2CCCCC2 62a_100000162227_100011935260 [0,0,0,0,0,2|2,0,0]=4 6058 B19R2.8826 NC(=O)c1ccccc1SCOC2CCCCC2 62a_100011935260_100000162227 [0,0,0,0,0,2|2,0,0]=4 6059 B19R2.8826 NC(=O)c1cccnc1NCCC2CCCCC2 27a_100000738074_100000162199 [0,0,0,0,0,2|2,0,0]=4 6060 B19R2.8826 NC(=O)c1cnccc1NCCC2CCCCC2 27a_100000738074_100000697804 [0,0,0,0,0,2|2,0,0]=4 6061 B19R2.8826 NC(=O)c1ncccc1NCCC2CCCCC2 27a_100000738074_200012359670 [0,0,0,0,0,2|2,0,0]=4 6062 B19R2.8826 O=C(O)c1ccccc1CNCC2CCCCC2 269956a_100015183376_100000211423 [0,0,0,0,0,2|0,0,0]=2 6063 B19R2.8826 O=C(O)c1ccccc1CNCC2CCCCO2 269956a_100015183376_100000211543 [0,0,0,0,0,2|1,0,0]=3 6064 B19R2.8826 O=C(O)c1ccccc1CNCC2CCCOC2 269956a_100015183376_100000741521 [0,0,0,0,0,2|1,0,0]=3 6065 B19R2.8826 O=C(O)c1ccccc1CNCC2CCOCC2 269956a_100015183376_100000754603 [0,0,0,0,0,2|1,0,0]=3 6066 B19R2.8826 O=C(O)c1ccccc1SCCC2CCCCC2 62a_100012355289_100000734275 [0,0,0,0,0,2|1,0,0]=3 6067 B19R2.8826 O=C(O)c1ccccc1SCCC2CCCCC2 62a_202125556159_100012355289 [0,0,0,0,0,2|1,0,0]=3 6068 B19R2.8826 O=C(O)c1ccccc1SCCC2CCOCC2 62a_100011934994_100000734275 [0,0,0,0,0,2|2,0,0]=4 6069 B19R2.8826 O=C(O)c1ccccc1SCCC2CCOCC2 62a_202125556159_100011934994 [0,0,0,0,0,2|2,0,0]=4 6070 B19R2.8826 O=C(O)c1ccccc1SCCN2CCCCC2 62a_100000739454_100000734275 [0,0,0,0,0,2|2,0,0]=4 6071 B19R2.8826 O=C(O)c1ccccc1SCCN2CCCCC2 62a_202125556159_100000739454 [0,0,0,0,0,2|2,0,0]=4 6072 B19R2.8826 O=C(O)c1ccccc1SCOC2CCCCC2 62a_100011935260_100000734275 [0,0,0,0,0,2|1,0,0]=3 6073 B19R2.8826 O=C(O)c1ccccc1SCOC2CCCCC2 62a_202125556159_100011935260 [0,0,0,0,0,2|1,0,0]=3 6074 B19R2.8826 O=C([O-])c1ccccc1OCCC2CCCCC2 7a_100015234032_100011273959 [0,0,0,0,0,2|1,0,1]=4 6075 B19R2.8826 O=C([O-])c1ccccc1OCOC2CCCCC2 7a_100015234032_100011935260 [0,0,0,0,0,2|1,0,1]=4 6076 B19R2.8826 O=[N+]([O-])c1ccccc1C=NNC2CCCCC2 4a_100000709804_100000186027 [0,0,0,0,0,2|1,0,1]=4 6077 B19R2.8826 O=[N+]([O-])c1ccccc1CCNC2CCCCC2 2230a_100000182618_200011934512 [0,0,0,0,0,2|1,0,1]=4 6078 B19R2.8826 O=[N+]([O-])c1ccccc1CCNC2CCCCC2 270004a_100000723993_100000210434 [0,0,0,0,0,2|1,0,1]=4 6079 B19R2.8826 O=[N+]([O-])c1ccccc1CCNC2CCCCC2 34a_100000182618_200011934512 [0,0,0,0,0,2|1,0,1]=4 6080 B19R2.8826 O=[N+]([O-])c1ccccc1CNCC2CCCCC2 2230a_100000210473_100000181388 [0,0,0,0,0,2|1,0,1]=4 6081 B19R2.8826 O=[N+]([O-])c1ccccc1CNCC2CCCCC2 269862a_100000740939_100000211278 [0,0,0,0,0,2|1,0,1]=4 6082 B19R2.8826 O=[N+]([O-])c1ccccc1CNCC2CCCCC2 270004a_100000210473_100000186027 [0,0,0,0,0,2|1,0,1]=4 6083 B19R2.8826 O=[N+]([O-])c1ccccc1CNCC2CCCCC2 34a_100000210473_100000181388 [0,0,0,0,0,2|1,0,1]=4 6084 B19R2.8826 O=[N+]([O-])c1ccccc1NN=CC2CCCCC2 4a_100000737275_100000211278 [0,0,0,0,0,2|1,0,1]=4 6085 B19R2.8826 OB(O)c1ccccc1CNCC2CCCCC2 2230a_100000210473_100009814197 [0,0,0,0,0,2|1,0,1]=4 6086 B19R2.8826 OB(O)c1ccccc1CNCC2CCCCC2 34a_100000210473_100009814197 [0,0,0,0,0,2|1,0,1]=4 6087 B19R2.13525 CC(=Cc1ccccc1CNC2CCCCC2)C 271570a_100102525489_200000195946 [0,0,0,0,0,2|2,0,0]=4 6088 B19R2.13525 CC(=O)Cc1ccccc1C=CC2CCCCC2 271570a_100016283615_100011350739 [0,0,0,0,0,2|2,0,0]=4 6089 B19R2.13525 CC(=O)Cc1ccccc1SCC2CCCCC2 62a_100000211423_100011350739 [0,0,0,0,0,2|2,0,0]=4 6090 B19R2.13525 CC(=O)Cc1ccccc1SCC2CCCCC2 62a_100011350739_100000211423 [0,0,0,0,0,2|2,0,0]=4 6091 B19R2.13525 CC(=O)Nc1ccccc1C=CC2CCCCC2 271570a_100016283615_100000153524 [0,0,0,0,0,2|2,0,0]=4 6092 B19R2.13525 CC(=O)Nc1ccccc1COC2CCCCC2 34a_100000192217_100000210327 [0,0,0,0,0,2|2,0,0]=4 6093 B19R2.13525 CC(=O)Nc1ccccc1COC2CCCCC2 7a_100000192217_100000210327 [0,0,0,0,0,2|2,0,0]=4 6094 B19R2.13525 CC(=O)Nc1ccccc1NCC2CCCCC2 34a_100011193560_100000211423 [0,0,0,0,0,2|1,0,0]=3 6095 B19R2.13525 CC(=O)Nc1ccccc1NCC2CCCCO2 34a_100011193560_100000211543 [0,0,0,0,0,2|2,0,0]=4 6096 B19R2.13525 CC(=O)Nc1ccccc1NCC2CCCOC2 34a_100011193560_100000741521 [0,0,0,0,0,2|2,0,0]=4 6097 B19R2.13525 CC(=O)Nc1ccccc1NCC2CCOCC2 34a_100011193560_100000754603 [0,0,0,0,0,2|2,0,0]=4 6098 B19R2.13525 CC(=O)Nc1ccccc1OCC2CCCCC2 34a_100000185124_100000211423 [0,0,0,0,0,2|2,0,0]=4 6099 B19R2.13525 CC(=O)Nc1ccccc1OCC2CCCCC2 7a_100000185124_100000211423 [0,0,0,0,0,2|2,0,0]=4 6100 B19R2.13525 CC(=O)Nc1ccccc1SCC2CCCCC2 62a_100000211423_100000153524 [0,0,0,0,0,2|2,0,0]=4 6101 B19R2.13525 CC(=O)Oc1ccccc1C=CC2CCCCC2 271570a_100016283615_100000051690 [0,0,0,0,0,2|2,0,0]=4 6102 B19R2.13525 CC(=O)Oc1ccccc1CNC2CCCCC2 270004a_100000182618_100009864558 [0,0,0,0,0,2|1,0,0]=3 6103 B19R2.13525 CC(=O)Oc1ccccc1CNC2CCCOC2 270004a_100000719290_100009864558 [0,0,0,0,0,2|2,0,0]=4 6104 B19R2.13525 CC(=O)Oc1ccccc1CNC2CCOCC2 270004a_100000741149_100009864558 [0,0,0,0,0,2|2,0,0]=4 6105 B19R2.13525 CC(=O)Oc1ccccc1CNC2CCSCC2 270004a_100000748639_100009864558 [0,0,0,0,0,2|2,0,0]=4 6106 B19R2.13525 CC(=O)Oc1ccccc1SCC2CCCCC2 62a_100000051690_100000211423 [0,0,0,0,0,2|2,0,0]=4 6107 B19R2.13525 CC(=O)Oc1ccccc1SCC2CCCCC2 62a_100000211423_100000051690 [0,0,0,0,0,2|2,0,0]=4 6108 B19R2.13525 NC(=O)Cc1ccccc1C=CC2CCCCC2 271570a_100016283615_200009814924 [0,0,0,0,0,2|2,0,0]=4 6109 B19R2.13525 NC(=O)Cc1ccccc1SCC2CCCCC2 62a_100000211423_200009814924 [0,0,0,0,0,2|2,0,0]=4 6110 B19R2.13525 NC(=O)Cc1ccccc1SCC2CCCCC2 62a_200009814924_100000211423 [0,0,0,0,0,2|2,0,0]=4 6111 B19R2.13525 NC(=O)Nc1ccccc1C=CC2CCCCC2 271570a_100016283615_100000742221 [0,0,0,0,0,2|2,0,0]=4 6112 B19R2.13525 NC(=O)Nc1ccccc1SCC2CCCCC2 62a_100000211423_100000742221 [0,0,0,0,0,2|2,0,0]=4 6113 B19R2.13525 O=C(O)Cc1ccccc1CNC2C=CCCC2 269956a_100000688124_100000751183 [0,0,0,0,0,2|0,0,2]=4 6114 B19R2.13525 O=C(O)Cc1ccccc1CNC2CCCCC2 269956a_100000688124_100000210327 [0,0,0,0,0,2|0,0,0]=2 6115 B19R2.13525 O=C(O)Cc1ccccc1CNC2CCCOC2 269956a_100000688124_100000693364 [0,0,0,0,0,2|1,0,0]=3 6116 B19R2.13525 O=C(O)Cc1ccccc1CNC2CCOCC2 269956a_100000688124_100011324220 [0,0,0,0,0,2|1,0,0]=3 6117 B19R2.13525 O=C(O)Cc1ccccc1CNC2CCSCC2 269956a_100000688124_100000069128 [0,0,0,0,0,2|1,0,0]=3 6118 B19R2.113084 CC(=O)c1ccccc1SCC2CCCCCC2 62a_100000751169_200000696569 [0,0,0,0,0,2|2,0,0]=4 6119 B19R2.113084 CC(=O)c1cccnc1NCC2CCCCCC2 27a_100015204231_100009816689 [0,0,0,0,0,2|2,0,0]=4 6120 B19R2.113084 CC(=O)c1cnccc1NCC2CCCCCC2 27a_100015204231_100160469449 [0,0,0,0,0,2|2,0,0]=4 6121 B19R2.113084 CC(O)c1ccccc1NCC2CCCCCC2 2230a_100011405641_200000696569 [0,0,0,0,0,2|1,0,1]=4 6122 B19R2.113084 NC(=O)c1ccccc1NCC2CCCCCC2 34a_100000185089_200000696569 [0,0,0,0,0,2|1,0,0]=3 6123 B19R2.113084 NC(=O)c1ccccc1OCC2CCCCCC2 34a_100000192804_200000696569 [0,0,0,0,0,2|2,0,0]=4 6124 B19R2.113084 NC(=O)c1ccccc1OCC2CCCCCC2 7a_100000192804_200000696569 [0,0,0,0,0,2|2,0,0]=4 6125 B19R2.113084 NC(=O)c1ccccc1SCC2CCCCCC2 62a_100000162227_200000696569 [0,0,0,0,0,2|2,0,0]=4 6126 B19R2.113084 NC(=O)c1ccccc1SCC2CCCCCC2 62a_200000696569_100000162227 [0,0,0,0,0,2|2,0,0]=4 6127 B19R2.113084 NC(=O)c1cccnc1NCC2CCCCCC2 27a_100015204231_100000162199 [0,0,0,0,0,2|2,0,0]=4 6128 B19R2.113084 NC(=O)c1cnccc1NCC2CCCCCC2 27a_100015204231_100000697804 [0,0,0,0,0,2|2,0,0]=4 6129 B19R2.113084 NC(=O)c1ncccc1NCC2CCCCCC2 27a_100015204231_200012359670 [0,0,0,0,0,2|2,0,0]=4 6130 B19R2.113084 O=C(O)c1ccccc1CNC2CCCCCC2 269956a_100015183376_100011217769 [0,0,0,0,0,2|0,0,0]=2 6131 B19R2.113084 O=C(O)c1ccccc1SCC2CCCCCC2 62a_200000696569_100000734275 [0,0,0,0,0,2|1,0,0]=3 6132 B19R2.113084 O=C(O)c1ccccc1SCC2CCCCCC2 62a_202125556159_200000696569 [0,0,0,0,0,2|1,0,0]=3 6133 B19R2.113084 O=C([O-])c1ccccc1OCC2CCCCCC2 7a_100015234032_200000696569 [0,0,0,0,0,2|1,0,1]=4 6134 B19R2.113084 O=[N+]([O-])c1ccccc1CNC2CCCCCC2 2230a_100000210984_100000181388 [0,0,0,0,0,2|1,0,1]=4 6135 B19R2.113084 O=[N+]([O-])c1ccccc1CNC2CCCCCC2 270004a_100000210984_100000186027 [0,0,0,0,0,2|1,0,1]=4 6136 B19R2.113084 O=[N+]([O-])c1ccccc1CNC2CCCCCC2 270004a_100000740939_100000210131 [0,0,0,0,0,2|1,0,1]=4 6137 B19R2.113084 O=[N+]([O-])c1ccccc1CNC2CCCCCC2 34a_100000210984_100000181388 [0,0,0,0,0,2|1,0,1]=4 6138 B19R2.113084 O=[N+]([O-])c1ccccc1CNC2CCCNCC2 270004a_100000740939_100015187895 [0,0,0,0,0,2|1,0,1]=4 6139 B19R2.113084 OB(O)c1ccccc1CNC2CCCCCC2 2230a_100000210984_100009814197 [0,0,0,0,0,2|1,0,1]=4 6140 B19R2.113084 OB(O)c1ccccc1CNC2CCCCCC2 34a_100000210984_100009814197 [0,0,0,0,0,2|1,0,1]=4 6141 B19R2.8688 C=C(C)COc1ccccc1NC2CCCCC2 34a_100000243823_100000210327 [0,0,0,0,0,2|2,0,0]=4 6142 B19R2.8688 CC(=O)NCc1ccccc1OC2CCCCC2 34a_200011628774_100000210327 [0,0,0,0,0,2|2,0,0]=4 6143 B19R2.8688 CC(=O)NCc1ccccc1OC2CCCCC2 7a_200011628774_100000210327 [0,0,0,0,0,2|2,0,0]=4 6144 B19R2.8688 CC(=O)NCc1ccccc1SC2CCCCC2 62a_100000210327_100011237613 [0,0,0,0,0,2|2,0,0]=4 6145 B19R2.8688 CC(=O)NCc1ccccc1SC2CCCCC2 62a_100011237613_100000210327 [0,0,0,0,0,2|2,0,0]=4 6146 B19R2.8688 NC(=O)CCc1ccccc1OC2CCCCC2 34a_100011200845_100000210327 [0,0,0,0,0,2|2,0,0]=4 6147 B19R2.8688 NC(=O)CCc1ccccc1OC2CCCCC2 7a_100011200845_100000210327 [0,0,0,0,0,2|2,0,0]=4 6148 B19R2.8688 NC(=O)CCc1ccccc1SC2CCCCC2 62a_100000210327_100009814947 [0,0,0,0,0,2|2,0,0]=4 6149 B19R2.8688 NC(=O)CCc1ccccc1SC2CCCCC2 62a_100009814947_100000210327 [0,0,0,0,0,2|2,0,0]=4 6150 B19R2.8688 NC(=O)CNc1ccccc1SC2CCCCC2 34a_100011235873_100000187820 [0,0,0,0,0,2|2,0,0]=4 6151 B19R2.8688 NC(=O)CNc1ccccc1SC2CCCCC2 7a_100011235873_100000187820 [0,0,0,0,0,2|2,0,0]=4 6152 B19R2.8688 NC(=O)COc1ccccc1CC2CCCCC2 34a_200009881200_100000187820 [0,0,0,0,0,2|2,0,0]=4 6153 B19R2.8688 NC(=O)COc1ccccc1CC2CCCCC2 7a_200009881200_100000187820 [0,0,0,0,0,2|2,0,0]=4 6154 B19R2.8688 NC(=O)COc1ccccc1OC2CCCCC2 7a_100000162348_100000210327 [0,0,0,0,0,2|2,0,0]=4 6155 B19R2.8688 NC(=O)COc1ccccc1SC2CCCCC2 62a_200000148491_100000210327 [0,0,0,0,0,2|2,0,0]=4 6156 B19R2.8688 NC(=O)CSc1ccccc1NC2CCCCC2 7a_100000187061_100000210327 [0,0,0,0,0,2|1,0,0]=3 6157 B19R2.8688 NC(=O)CSc1ccccc1NC2CCCOC2 7a_100000187061_100000693364 [0,0,0,0,0,2|2,0,0]=4 6158 B19R2.8688 NC(=O)CSc1ccccc1NC2CCOCC2 7a_100000187061_100000686592 [0,0,0,0,0,2|2,0,0]=4 6159 B19R2.8688 NC(=O)CSc1ccccc1NC2CCSCC2 7a_100000187061_100011500858 [0,0,0,0,0,2|2,0,0]=4 6160 B19R2.8688 NC(=O)CSc1ccccc1OC2CCCCC2 62a_100000747473_200011235867 [0,0,0,0,0,2|2,0,0]=4 6161 B19R2.8688 NC(=O)CSc1ccccc1OC2CCCCC2 62a_200011235867_100000747473 [0,0,0,0,0,2|2,0,0]=4 6162 B19R2.8688 O=C([O-])CNc1ccccc1SC2CCCCC2 34a_100011235873_100020667443 [0,0,0,0,0,2|1,0,1]=4 6163 B19R2.8688 O=C([O-])COc1ccccc1CC2CCCCC2 34a_200009881200_100020667443 [0,0,0,0,0,2|1,0,1]=4 6164 B19R2.8688 O=C([O-])CSc1ccccc1OC2CCCCC2 62a_100020667443_200011235867 [0,0,0,0,0,2|1,0,1]=4 6165 B19R2.8688 O=C([O-])CSc1ccccc1OC2CCCCC2 62a_200011235867_100020667443 [0,0,0,0,0,2|1,0,1]=4 6166 B19R2.164621 CC(=O)Cc1ccccc1SC2CCCCCC2 62a_100011217769_100011350739 [0,0,0,0,0,2|2,0,0]=4 6167 B19R2.164621 CC(=O)Cc1ccccc1SC2CCCCCC2 62a_100011350739_100011217769 [0,0,0,0,0,2|2,0,0]=4 6168 B19R2.164621 CC(=O)Nc1ccccc1NC2CCCCCC2 34a_100011193560_100011217769 [0,0,0,0,0,2|1,0,0]=3 6169 B19R2.164621 CC(=O)Nc1ccccc1OC2CCCCCC2 34a_100000185124_100011217769 [0,0,0,0,0,2|2,0,0]=4 6170 B19R2.164621 CC(=O)Nc1ccccc1SC2CCCCCC2 62a_100011217769_100000153524 [0,0,0,0,0,2|2,0,0]=4 6171 B19R2.164621 CC(=O)Oc1ccccc1SC2CCCCCC2 62a_100000051690_100011217769 [0,0,0,0,0,2|2,0,0]=4 6172 B19R2.164621 CC(=O)Oc1ccccc1SC2CCCCCC2 62a_100011217769_100000051690 [0,0,0,0,0,2|2,0,0]=4 6173 B19R2.164621 NC(=O)Cc1ccccc1SC2CCCCCC2 62a_100011217769_200009814924 [0,0,0,0,0,2|2,0,0]=4 6174 B19R2.164621 NC(=O)Cc1ccccc1SC2CCCCCC2 62a_200009814924_100011217769 [0,0,0,0,0,2|2,0,0]=4 6175 B19R2.164621 NC(=O)Nc1ccccc1SC2CCCCCC2 62a_100011217769_100000742221 [0,0,0,0,0,2|2,0,0]=4 6176 B19R2.113029 CC(=O)c1ccccc1SC2CC/C=C\CCC2 62a_100000751169_100021000466 [0,0,0,0,0,2|2,0,0]=4 6177 B19R2.113029 CC(=O)c1cccnc1NC2CCCCCCC2 27a_100000211152_100009816689 [0,0,0,0,0,2|2,0,0]=4 6178 B19R2.113029 CC(=O)c1cnccc1NC2CCCCCCC2 27a_100000211152_100160469449 [0,0,0,0,0,2|2,0,0]=4 6179 B19R2.113029 NC(=O)c1ccccc1NC2CC/C=C\CCC2 34a_100000185089_100021000466 [0,0,0,0,0,2|1,0,0]=3 6180 B19R2.113029 NC(=O)c1ccccc1OC2CC/C=C\CCC2 34a_100000192804_100021000466 [0,0,0,0,0,2|2,0,0]=4 6181 B19R2.113029 NC(=O)c1ccccc1OC2CC/C=C\CCC2 7a_100000192804_100021000466 [0,0,0,0,0,2|2,0,0]=4 6182 B19R2.113029 NC(=O)c1ccccc1SC2CC/C=C\CCC2 62a_100000162227_100021000466 [0,0,0,0,0,2|2,0,0]=4 6183 B19R2.113029 NC(=O)c1ccccc1SC2CC/C=C\CCC2 62a_100021000466_100000162227 [0,0,0,0,0,2|2,0,0]=4 6184 B19R2.113029 NC(=O)c1cccnc1NC2CCCCCCC2 27a_100000211152_100000162199 [0,0,0,0,0,2|2,0,0]=4 6185 B19R2.113029 NC(=O)c1cnccc1NC2CCCCCCC2 27a_100000211152_100000697804 [0,0,0,0,0,2|2,0,0]=4 6186 B19R2.113029 NC(=O)c1ncccc1NC2CCCCCCC2 27a_100000211152_200012359670 [0,0,0,0,0,2|2,0,0]=4 6187 B19R2.113029 O=C(O)c1ccccc1SC2CC/C=C\CCC2 62a_100021000466_100000734275 [0,0,0,0,0,2|1,0,0]=3 6188 B19R2.113029 O=C(O)c1ccccc1SC2CC/C=C\CCC2 62a_202125556159_100021000466 [0,0,0,0,0,2|1,0,0]=3 6189 B19R2.113029 O=C([O-])c1ccccc1OC2CC/C=C\CCC2 7a_100015234032_100021000466 [0,0,0,0,0,2|1,0,1]=4