0 B11R1.280 C#Cc1ccc(c(c1)NC)C 2230a_100012022948_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.280 C#Cc1ccc(c(c1)NC)C 34a_100012022948_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.280 C#Cc1ccc(c(c1)NC)C 7a_100012022948_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.280 C#Cc1ccc(c(c1)NC)F 34a_100000100531_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 2230a_100012022948_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 34a_100012022948_200025704644 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 7a_100012022948_200025704644 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])F 34a_100000100531_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.280 C=Cc1cc(c(cn1)F)C#N 271570a_100011290941_100000709737 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.280 C=Cc1cc(c(cn1)F)C=O 271570a_100011290941_100000707870 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.280 C=Cc1cc(c(cn1)F)CO 271570a_100011290941_100000081974 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.280 C=Cc1cc(c(nn1)N)OC 271570a_100011290941_100000688033 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.280 C=Cc1cc(ccc1Br)C=O 271570a_100011290941_100010146563 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.280 C=Cc1cc(ccc1C)C=O 271570a_100011290941_100000695567 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.280 C=Cc1cc(ccc1Cl)C=O 271570a_100011290941_100010209939 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.280 C=Cc1cc(ccc1F)C=O 271570a_100011290941_100000211747 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.280 C=Cc1cc(ccc1O)C#N 271570a_100011290941_100000725478 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [0,0,0,0,0,0|1,0,3]=4 23 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.280 C=Cc1cc(cnc1O)C=O 271570a_100011290941_100010064886 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.280 C=Cc1ccc(=O)n(c1)CC 271570a_100011290941_100000231005 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.280 C=Cc1ccc(c(c1)C#N)Br 271570a_100011290941_100012355174 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.280 C=Cc1ccc(c(c1)C#N)C 271570a_100011290941_100000698047 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.280 C=Cc1ccc(c(c1)C#N)Cl 271570a_100011290941_100011356831 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.280 C=Cc1ccc(c(c1)C#N)F 271570a_100011290941_100000037165 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.280 C=Cc1ccc(c(c1)C#N)N 271570a_100011290941_100000688460 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.280 C=Cc1ccc(c(c1)C=O)Br 271570a_100011290941_100010185652 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.280 C=Cc1ccc(c(c1)C=O)C 271570a_100011290941_100011361606 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.280 C=Cc1ccc(c(c1)C=O)Cl 271570a_100011290941_100010254384 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.280 C=Cc1ccc(c(c1)C=O)F 271570a_100011290941_100000211465 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.280 C=Cc1ccc(c(c1)C=O)N 271570a_100011290941_100011935258 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [0,0,0,0,0,0|1,0,0]=1 43 B11R1.280 C=Cc1ccc(c(c1)CN)F 271570a_100011290941_100009815772 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.280 C=Cc1ccc(c(c1)CN)N 271570a_100011290941_100012349119 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [0,0,0,0,0,0|2,0,0]=2 46 B11R1.280 C=Cc1ccc(c(c1)CO)Br 271570a_100011290941_100012359683 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.280 C=Cc1ccc(c(c1)CO)C 271570a_100011290941_100000700630 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.280 C=Cc1ccc(c(c1)CO)Cl 271570a_100011290941_100010128486 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.280 C=Cc1ccc(c(c1)CO)F 271570a_100011290941_100000049604 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.280 C=Cc1ccc(c(c1)CO)N 271570a_100011290941_100012353972 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [0,0,0,0,0,0|2,0,0]=2 52 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [0,0,0,0,0,0|2,0,0]=2 53 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [0,0,0,0,0,0|2,0,0]=2 54 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.280 C=Cc1ccc(c(c1)NN)F 271570a_100011290941_100020610843 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [0,0,0,0,0,0|1,0,0]=1 57 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [0,0,0,0,0,0|1,0,0]=1 58 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [0,0,0,0,0,0|1,0,0]=1 59 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [0,0,0,0,0,0|1,0,0]=1 60 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [0,0,0,0,0,0|1,0,0]=1 61 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [0,0,0,0,0,0|0,0,0]=0 62 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [0,0,0,0,0,0|1,1,0]=2 63 B11R1.280 C=Cc1ccc(c(n1)C#N)C 271570a_100011290941_100000709982 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.280 C=Cc1ccc(c(n1)C#N)F 271570a_100011290941_100000722900 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.280 C=Cc1ccc(c(n1)C#N)N 271570a_100011290941_100000068710 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.280 C=Cc1ccc(c(n1)C=O)F 271570a_100011290941_100009814804 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.280 C=Cc1ccc(c(n1)CC)N 271570a_100011290941_100009871203 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.280 C=Cc1ccc(c(n1)CN)F 271570a_100011290941_100009887702 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [0,0,0,0,0,0|1,0,0]=1 71 B11R1.280 C=Cc1cnc(c(c1)C#N)C 271570a_100011290941_200016216807 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.280 C=Cc1cnc(c(c1)C#N)Cl 271570a_100011290941_100012357031 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.280 C=Cc1cnc(c(c1)C#N)F 271570a_100011290941_100010136711 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.280 C=Cc1cnc(c(c1)C#N)N 271570a_100011290941_100000693231 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.280 C=Cc1cnc(c(c1)C#N)O 271570a_100011290941_100000697733 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.280 C=Cc1cnc(c(c1)C=O)F 271570a_100011290941_100009814789 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.280 C=Cc1cnc(c(c1)C=O)N 271570a_100011290941_100009814808 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.280 C=Cc1cnc(c(c1)CO)C 271570a_100011290941_100010894652 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.280 C=Cc1cnc(c(c1)CO)F 271570a_100011290941_100010202234 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.280 C=Cc1cnc(c(c1)CO)N 271570a_100011290941_100011934449 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.280 C=Cc1cnc(c(c1)CO)O 271570a_100011290941_100010065268 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.280 C=Cc1cnc(c(c1)NC)N 271570a_100011290941_100010506235 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [0,0,0,0,0,0|2,0,0]=2 84 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [0,0,0,0,0,0|2,0,0]=2 85 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [0,0,0,0,0,0|2,0,0]=2 86 B11R1.280 C=Cc1cnc(c(n1)OC)N 271570a_100011290941_100009816943 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [0,0,0,0,0,0|2,0,0]=2 88 B11R1.280 C=Cc1ncc(c(n1)CC)F 271570a_100011290941_100009843034 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.280 C=Cc1ncc(c(n1)NC)F 271570a_100011290941_100000185923 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.280 C=Cc1ncc(c(n1)OC)C 271570a_100011290941_100012500371 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.280 C=Cc1ncc(c(n1)OC)F 271570a_100011290941_100012183945 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.280 C=Cc1ncc(c(n1)OC)N 271570a_100011290941_100012122185 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.280 C=Cc1ncc(c(n1)SC)C 271570a_100011290941_100012501347 [0,0,0,0,0,0|3,1,0]=4 94 B11R1.280 C=Cc1ncc(c(n1)SC)F 271570a_100011290941_100012187453 [0,0,0,0,0,0|3,1,0]=4 95 B11R1.280 CCc1cc(ccc1Br)NC 2230a_100010109747_200000210301 [0,0,0,0,0,0|3,0,1]=4 96 B11R1.280 CCc1cc(ccc1Br)NC 34a_100010109747_200000210301 [0,0,0,0,0,0|3,0,1]=4 97 B11R1.280 CCc1cc(ccc1Br)NC 7a_100010109747_200000210301 [0,0,0,0,0,0|3,0,1]=4 98 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 2230a_100010109747_200025704644 [0,0,0,0,0,0|3,0,1]=4 99 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 34a_100010109747_200025704644 [0,0,0,0,0,0|3,0,1]=4 100 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 7a_100010109747_200025704644 [0,0,0,0,0,0|3,0,1]=4 101 B11R1.280 CCc1cc(ccc1Br)SC 62a_100010244631_200000210301 [0,0,0,0,0,0|3,0,1]=4 102 B11R1.280 CCc1cc(ccc1Br)SC 62a_200000210301_100010244631 [0,0,0,0,0,0|3,0,1]=4 103 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_100010244631_200025704644 [0,0,0,0,0,0|3,0,1]=4 104 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_200025704644_100010244631 [0,0,0,0,0,0|3,0,1]=4 105 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [0,0,0,0,0,0|3,0,1]=4 106 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [0,0,0,0,0,0|3,0,1]=4 107 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [0,0,0,0,0,0|3,0,1]=4 108 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.280 CCc1cc(ccc1F)SC 62a_100010244625_200000210301 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.280 CCc1cc(ccc1F)SC 62a_200000210301_100010244625 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_100010244625_200025704644 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010244625 [0,0,0,0,0,0|3,0,1]=4 113 B11R1.280 CCc1cc(ccc1N)SC 62a_100000686106_200000210301 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.280 CCc1cc(ccc1N)SC 62a_200000210301_100000686106 [0,0,0,0,0,0|3,0,1]=4 115 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_100000686106_200025704644 [0,0,0,0,0,0|3,0,1]=4 116 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_200025704644_100000686106 [0,0,0,0,0,0|3,0,1]=4 117 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [0,0,0,0,0,0|2,0,1]=3 118 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [0,0,0,0,0,0|2,0,1]=3 119 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [0,0,0,0,0,0|2,0,1]=3 120 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [0,0,0,0,0,0|2,0,1]=3 121 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [0,0,0,0,0,0|2,0,2]=4 122 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [0,0,0,0,0,0|2,0,2]=4 123 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [0,0,0,0,0,0|2,0,2]=4 124 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [0,0,0,0,0,0|1,0,2]=3 125 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [0,0,0,0,0,0|2,0,2]=4 126 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [0,0,0,0,0,0|2,0,2]=4 127 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [0,0,0,0,0,0|2,0,2]=4 128 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [0,0,0,0,0,0|1,0,2]=3 129 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [0,0,0,0,0,0|1,0,2]=3 130 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [0,0,0,0,0,0|1,0,2]=3 131 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [0,0,0,0,0,0|0,0,2]=2 132 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [0,0,0,0,0,0|1,0,2]=3 133 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [0,0,0,0,0,0|1,0,2]=3 134 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200000210301_200010244628 [0,0,0,0,0,0|1,1,2]=4 135 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200010244628_200000210301 [0,0,0,0,0,0|1,1,2]=4 136 B11R1.280 CCc1ccc(c(c1)SC)N 62a_100012339725_200000210301 [0,0,0,0,0,0|1,1,2]=4 137 B11R1.280 CCc1ccc(c(c1)SC)N 62a_200000210301_100012339725 [0,0,0,0,0,0|1,1,2]=4 138 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [0,0,0,0,0,0|0,1,2]=3 139 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [0,0,0,0,0,0|0,1,2]=3 140 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200010244628_200025704644 [0,0,0,0,0,0|1,1,2]=4 141 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010244628 [0,0,0,0,0,0|1,1,2]=4 142 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_100012339725_200025704644 [0,0,0,0,0,0|1,1,2]=4 143 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_200025704644_100012339725 [0,0,0,0,0,0|1,1,2]=4 144 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [0,0,0,0,0,0|0,1,2]=3 145 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [0,0,0,0,0,0|0,1,2]=3 146 B11R1.280 CNc1cc(ccc1Br)C#N 34a_100012001879_200000210301 [0,0,0,0,0,0|3,0,1]=4 147 B11R1.280 CNc1cc(ccc1Br)C#N 7a_100012001879_200000210301 [0,0,0,0,0,0|3,0,1]=4 148 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [0,0,0,0,0,0|3,0,1]=4 149 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [0,0,0,0,0,0|3,0,1]=4 150 B11R1.280 CNc1cc(ccc1C)C#N 34a_100000748024_200000210301 [0,0,0,0,0,0|3,0,1]=4 151 B11R1.280 CNc1cc(ccc1C)C#N 7a_100000748024_200000210301 [0,0,0,0,0,0|3,0,1]=4 152 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [0,0,0,0,0,0|3,0,1]=4 153 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [0,0,0,0,0,0|3,0,1]=4 154 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [0,0,0,0,0,0|3,0,1]=4 155 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [0,0,0,0,0,0|3,0,1]=4 156 B11R1.280 CNc1cc(ccc1C)SC 62a_100020629602_200000210301 [0,0,0,0,0,0|3,0,1]=4 157 B11R1.280 CNc1cc(ccc1C)SC 62a_200000210301_100020629602 [0,0,0,0,0,0|3,0,1]=4 158 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_100020629602_200025704644 [0,0,0,0,0,0|3,0,1]=4 159 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_200025704644_100020629602 [0,0,0,0,0,0|3,0,1]=4 160 B11R1.280 CNc1cc(ccc1Cl)C#N 34a_100000766345_200000210301 [0,0,0,0,0,0|3,0,1]=4 161 B11R1.280 CNc1cc(ccc1Cl)C#N 7a_100000766345_200000210301 [0,0,0,0,0,0|3,0,1]=4 162 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [0,0,0,0,0,0|3,0,1]=4 163 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [0,0,0,0,0,0|3,0,1]=4 164 B11R1.280 CNc1cc(ccc1F)C#N 34a_100011934650_200000210301 [0,0,0,0,0,0|3,0,1]=4 165 B11R1.280 CNc1cc(ccc1F)C#N 7a_100011934650_200000210301 [0,0,0,0,0,0|3,0,1]=4 166 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [0,0,0,0,0,0|3,0,1]=4 167 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [0,0,0,0,0,0|3,0,1]=4 168 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [0,0,0,0,0,0|3,0,1]=4 169 B11R1.280 CNc1cc(ccc1F)SC 62a_100011314990_200000210301 [0,0,0,0,0,0|3,0,1]=4 170 B11R1.280 CNc1cc(ccc1F)SC 62a_200000210301_100011314990 [0,0,0,0,0,0|3,0,1]=4 171 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_100011314990_200025704644 [0,0,0,0,0,0|3,0,1]=4 172 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_200025704644_100011314990 [0,0,0,0,0,0|3,0,1]=4 173 B11R1.280 CNc1cc(ccc1I)C#N 34a_200012349464_200000210301 [0,0,0,0,0,0|3,0,1]=4 174 B11R1.280 CNc1cc(ccc1I)C#N 7a_200012349464_200000210301 [0,0,0,0,0,0|3,0,1]=4 175 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [0,0,0,0,0,0|3,0,1]=4 176 B11R1.280 CNc1cc(ccc1N)SC 62a_100000694363_200000210301 [0,0,0,0,0,0|3,0,1]=4 177 B11R1.280 CNc1cc(ccc1N)S[13CH3] 62a_100000694363_200025704644 [0,0,0,0,0,0|3,0,1]=4 178 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [0,0,0,0,0,0|2,0,1]=3 179 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [0,0,0,0,0,0|2,0,1]=3 180 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [0,0,0,0,0,0|2,0,1]=3 181 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [0,0,0,0,0,0|2,0,1]=3 182 B11R1.280 CNc1ccc(c(c1)C#N)O 34a_100011249283_200000210301 [0,0,0,0,0,0|3,0,1]=4 183 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [0,0,0,0,0,0|2,0,1]=3 184 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [0,0,0,0,0,0|2,0,1]=3 185 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [0,0,0,0,0,0|2,0,1]=3 186 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [0,0,0,0,0,0|2,0,1]=3 187 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [0,0,0,0,0,0|2,0,1]=3 188 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [0,0,0,0,0,0|2,0,1]=3 189 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [0,0,0,0,0,0|2,0,1]=3 190 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [0,0,0,0,0,0|2,0,1]=3 191 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [0,0,0,0,0,0|2,0,1]=3 192 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [0,0,0,0,0,0|1,0,1]=2 193 B11R1.280 CNc1ccc(c(c1)SC)C 62a_100000707694_200000210301 [0,0,0,0,0,0|2,1,1]=4 194 B11R1.280 CNc1ccc(c(c1)SC)C 62a_200000210301_100000707694 [0,0,0,0,0,0|2,1,1]=4 195 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_100000707694_200025704644 [0,0,0,0,0,0|2,1,1]=4 196 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000707694 [0,0,0,0,0,0|2,1,1]=4 197 B11R1.280 COc1cc(c(cn1)Br)OC 34a_100010738159_200000210301 [0,0,0,0,0,0|3,0,1]=4 198 B11R1.280 COc1cc(c(cn1)Br)O[13CH3] 34a_100010738159_200025704644 [0,0,0,0,0,0|3,0,1]=4 199 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [0,0,0,0,0,0|2,0,1]=3 200 B11R1.280 COc1cc(c[nH]c1=O)SC 62a_200000210301_100010125397 [0,0,0,0,0,0|2,0,2]=4 201 B11R1.280 COc1cc(c[nH]c1=O)S[13CH3] 62a_200025704644_100010125397 [0,0,0,0,0,0|2,0,2]=4 202 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [0,0,0,0,0,0|2,0,1]=3 203 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [0,0,0,0,0,0|2,0,1]=3 204 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [0,0,0,0,0,0|2,0,1]=3 205 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [0,0,0,0,0,0|2,0,1]=3 206 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [0,0,0,0,0,0|2,0,1]=3 207 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [0,0,0,0,0,0|2,0,1]=3 208 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [0,0,0,0,0,0|2,0,1]=3 209 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [0,0,0,0,0,0|2,0,1]=3 210 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [0,0,0,0,0,0|2,0,1]=3 211 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [0,0,0,0,0,0|2,0,1]=3 212 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [0,0,0,0,0,0|2,0,1]=3 213 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [0,0,0,0,0,0|2,0,1]=3 214 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [0,0,0,0,0,0|2,0,1]=3 215 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [0,0,0,0,0,0|2,0,1]=3 216 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [0,0,0,0,0,0|2,0,1]=3 217 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [0,0,0,0,0,0|2,0,1]=3 218 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [0,0,0,0,0,0|2,0,1]=3 219 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [0,0,0,0,0,0|2,0,1]=3 220 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [0,0,0,0,0,0|2,0,1]=3 221 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [0,0,0,0,0,0|2,0,1]=3 222 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [0,0,0,0,0,0|2,0,1]=3 223 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [0,0,0,0,0,0|2,0,1]=3 224 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [0,0,0,0,0,0|2,0,1]=3 225 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [0,0,0,0,0,0|2,0,1]=3 226 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [0,0,0,0,0,0|2,0,1]=3 227 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [0,0,0,0,0,0|2,0,1]=3 228 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [0,0,0,0,0,0|2,0,1]=3 229 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [0,0,0,0,0,0|2,0,1]=3 230 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [0,0,0,0,0,0|2,0,1]=3 231 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [0,0,0,0,0,0|2,0,1]=3 232 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [0,0,0,0,0,0|2,0,1]=3 233 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [0,0,0,0,0,0|2,0,1]=3 234 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [0,0,0,0,0,0|2,0,1]=3 235 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [0,0,0,0,0,0|2,0,1]=3 236 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [0,0,0,0,0,0|2,0,1]=3 237 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [0,0,0,0,0,0|2,0,1]=3 238 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [0,0,0,0,0,0|2,0,1]=3 239 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [0,0,0,0,0,0|2,0,1]=3 240 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [0,0,0,0,0,0|2,0,1]=3 241 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [0,0,0,0,0,0|2,0,1]=3 242 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [0,0,0,0,0,0|2,0,1]=3 243 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [0,0,0,0,0,0|2,0,1]=3 244 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [0,0,0,0,0,0|2,0,1]=3 245 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [0,0,0,0,0,0|2,0,1]=3 246 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [0,0,0,0,0,0|2,0,1]=3 247 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [0,0,0,0,0,0|2,0,1]=3 248 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [0,0,0,0,0,0|2,0,1]=3 249 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [0,0,0,0,0,0|2,0,1]=3 250 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [0,0,0,0,0,0|2,0,1]=3 251 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [0,0,0,0,0,0|2,0,1]=3 252 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [0,0,0,0,0,0|2,0,1]=3 253 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [0,0,0,0,0,0|2,0,1]=3 254 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [0,0,0,0,0,0|2,0,1]=3 255 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [0,0,0,0,0,0|2,0,1]=3 256 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [0,0,0,0,0,0|2,0,1]=3 257 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [0,0,0,0,0,0|2,0,1]=3 258 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [0,0,0,0,0,0|2,0,1]=3 259 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [0,0,0,0,0,0|2,0,1]=3 260 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [0,0,0,0,0,0|2,0,1]=3 261 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [0,0,0,0,0,0|2,0,1]=3 262 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [0,0,0,0,0,0|2,0,1]=3 263 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [0,0,0,0,0,0|1,0,1]=2 264 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [0,0,0,0,0,0|1,0,0]=1 265 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [0,0,0,0,0,0|1,0,1]=2 266 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [0,0,0,0,0,0|1,0,1]=2 267 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [0,0,0,0,0,0|1,0,1]=2 268 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [0,0,0,0,0,0|1,0,1]=2 269 B11R1.280 COc1cc(cnc1C)SC 62a_100010254219_200000210301 [0,0,0,0,0,0|3,0,1]=4 270 B11R1.280 COc1cc(cnc1C)SC 62a_200000210301_100010254219 [0,0,0,0,0,0|3,0,1]=4 271 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_100010254219_200025704644 [0,0,0,0,0,0|3,0,1]=4 272 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_200025704644_100010254219 [0,0,0,0,0,0|3,0,1]=4 273 B11R1.280 COc1cc(cnc1F)SC 62a_100010214931_200000210301 [0,0,0,0,0,0|3,0,1]=4 274 B11R1.280 COc1cc(cnc1F)SC 62a_200000210301_100010214931 [0,0,0,0,0,0|3,0,1]=4 275 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_100010214931_200025704644 [0,0,0,0,0,0|3,0,1]=4 276 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_200025704644_100010214931 [0,0,0,0,0,0|3,0,1]=4 277 B11R1.280 COc1cc(cnc1N)SC 62a_106354213024_200000210301 [0,0,0,0,0,0|3,0,1]=4 278 B11R1.280 COc1cc(cnc1N)SC 62a_200000210301_106354213024 [0,0,0,0,0,0|3,0,1]=4 279 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_106354213024_200025704644 [0,0,0,0,0,0|3,0,1]=4 280 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_200025704644_106354213024 [0,0,0,0,0,0|3,0,1]=4 281 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [0,0,0,0,0,0|2,0,1]=3 282 B11R1.280 COc1cc(ncc1C)SC 62a_100010067687_200000210301 [0,0,0,0,0,0|3,0,1]=4 283 B11R1.280 COc1cc(ncc1C)SC 62a_200000210301_100010067687 [0,0,0,0,0,0|3,0,1]=4 284 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_100010067687_200025704644 [0,0,0,0,0,0|3,0,1]=4 285 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_200025704644_100010067687 [0,0,0,0,0,0|3,0,1]=4 286 B11R1.280 COc1cc(ncc1F)SC 62a_200000210301_200010136270 [0,0,0,0,0,0|3,0,1]=4 287 B11R1.280 COc1cc(ncc1F)SC 62a_200010136270_200000210301 [0,0,0,0,0,0|3,0,1]=4 288 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200010136270_200025704644 [0,0,0,0,0,0|3,0,1]=4 289 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200025704644_200010136270 [0,0,0,0,0,0|3,0,1]=4 290 B11R1.280 COc1cc(ncc1N)SC 62a_100009887741_200000210301 [0,0,0,0,0,0|3,0,1]=4 291 B11R1.280 COc1cc(ncc1N)SC 62a_200000210301_100009887741 [0,0,0,0,0,0|3,0,1]=4 292 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_100009887741_200025704644 [0,0,0,0,0,0|3,0,1]=4 293 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_200025704644_100009887741 [0,0,0,0,0,0|3,0,1]=4 294 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [0,0,0,0,0,0|2,0,1]=3 295 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [0,0,0,0,0,0|2,0,1]=3 296 B11R1.280 COc1ccc(c(c1)C#N)O 271570a_203496583355_100000748272 [0,0,0,0,0,0|3,0,1]=4 297 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [0,0,0,0,0,0|3,0,1]=4 298 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [0,0,0,0,0,0|3,0,1]=4 299 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [0,0,0,0,0,0|3,0,1]=4 300 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [0,0,0,0,0,0|3,0,1]=4 301 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [0,0,0,0,0,0|3,0,1]=4 302 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [0,0,0,0,0,0|3,0,1]=4 303 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [0,0,0,0,0,0|3,0,1]=4 304 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [0,0,0,0,0,0|3,0,1]=4 305 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [0,0,0,0,0,0|3,0,1]=4 306 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [0,0,0,0,0,0|2,0,1]=3 307 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [0,0,0,0,0,0|2,0,1]=3 308 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [0,0,0,0,0,0|2,0,1]=3 309 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [0,0,0,0,0,0|2,0,1]=3 310 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [0,0,0,0,0,0|2,0,1]=3 311 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [0,0,0,0,0,0|2,0,1]=3 312 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [0,0,0,0,0,0|2,0,1]=3 313 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [0,0,0,0,0,0|2,0,1]=3 314 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [0,0,0,0,0,0|2,0,1]=3 315 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [0,0,0,0,0,0|2,0,1]=3 316 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [0,0,0,0,0,0|2,0,1]=3 317 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [0,0,0,0,0,0|2,0,1]=3 318 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [0,0,0,0,0,0|2,0,1]=3 319 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [0,0,0,0,0,0|2,0,1]=3 320 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [0,0,0,0,0,0|2,0,1]=3 321 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [0,0,0,0,0,0|2,0,1]=3 322 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [0,0,0,0,0,0|2,0,1]=3 323 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [0,0,0,0,0,0|2,0,1]=3 324 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [0,0,0,0,0,0|2,0,1]=3 325 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [0,0,0,0,0,0|2,0,1]=3 326 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [0,0,0,0,0,0|2,0,1]=3 327 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [0,0,0,0,0,0|2,0,1]=3 328 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [0,0,0,0,0,0|2,0,1]=3 329 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [0,0,0,0,0,0|1,0,1]=2 330 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [0,0,0,0,0,0|2,0,1]=3 331 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [0,0,0,0,0,0|2,0,1]=3 332 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [0,0,0,0,0,0|2,0,1]=3 333 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [0,0,0,0,0,0|2,0,1]=3 334 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [0,0,0,0,0,0|2,0,1]=3 335 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [0,0,0,0,0,0|2,0,1]=3 336 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [0,0,0,0,0,0|2,0,1]=3 337 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [0,0,0,0,0,0|2,0,1]=3 338 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [0,0,0,0,0,0|2,0,1]=3 339 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [0,0,0,0,0,0|2,0,1]=3 340 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [0,0,0,0,0,0|2,0,1]=3 341 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [0,0,0,0,0,0|2,0,1]=3 342 B11R1.280 COc1ccc(c(c1)SC)Br 62a_100009992028_200000210301 [0,0,0,0,0,0|2,1,1]=4 343 B11R1.280 COc1ccc(c(c1)SC)Br 62a_200000210301_100009992028 [0,0,0,0,0,0|2,1,1]=4 344 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [0,0,0,0,0,0|2,1,1]=4 345 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [0,0,0,0,0,0|2,1,1]=4 346 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_100011356938_200000210301 [0,0,0,0,0,0|2,1,1]=4 347 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_200000210301_100011356938 [0,0,0,0,0,0|2,1,1]=4 348 B11R1.280 COc1ccc(c(c1)SC)F 62a_100000699733_200000210301 [0,0,0,0,0,0|2,1,1]=4 349 B11R1.280 COc1ccc(c(c1)SC)F 62a_200000210301_100000699733 [0,0,0,0,0,0|2,1,1]=4 350 B11R1.280 COc1ccc(c(c1)SC)N 62a_100015195136_200000210301 [0,0,0,0,0,0|2,1,1]=4 351 B11R1.280 COc1ccc(c(c1)SC)N 62a_200000210301_100015195136 [0,0,0,0,0,0|2,1,1]=4 352 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [0,0,0,0,0,0|1,1,1]=3 353 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_100009992028_200025704644 [0,0,0,0,0,0|2,1,1]=4 354 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100009992028 [0,0,0,0,0,0|2,1,1]=4 355 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [0,0,0,0,0,0|2,1,1]=4 356 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [0,0,0,0,0,0|2,1,1]=4 357 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_100011356938_200025704644 [0,0,0,0,0,0|2,1,1]=4 358 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011356938 [0,0,0,0,0,0|2,1,1]=4 359 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_100000699733_200025704644 [0,0,0,0,0,0|2,1,1]=4 360 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000699733 [0,0,0,0,0,0|2,1,1]=4 361 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_100015195136_200025704644 [0,0,0,0,0,0|2,1,1]=4 362 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_200025704644_100015195136 [0,0,0,0,0,0|2,1,1]=4 363 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [0,0,0,0,0,0|1,1,1]=3 364 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [0,0,0,0,0,0|2,0,1]=3 365 B11R1.280 COc1nc(ccc1N)SC 62a_100000687816_200000210301 [0,0,0,0,0,0|3,0,1]=4 366 B11R1.280 COc1nc(ccc1N)SC 62a_200000210301_100000687816 [0,0,0,0,0,0|3,0,1]=4 367 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_100000687816_200025704644 [0,0,0,0,0,0|3,0,1]=4 368 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_200025704644_100000687816 [0,0,0,0,0,0|3,0,1]=4 369 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [0,0,0,0,0,0|2,0,1]=3 370 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [0,0,0,0,0,0|2,0,1]=3 371 B11R1.280 COc1nc(cnc1O)SC 62a_200000210301_200010365344 [0,0,0,0,0,0|3,0,1]=4 372 B11R1.280 COc1nc(cnc1O)SC 62a_200010365344_200000210301 [0,0,0,0,0,0|3,0,1]=4 373 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200010365344_200025704644 [0,0,0,0,0,0|3,0,1]=4 374 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200025704644_200010365344 [0,0,0,0,0,0|3,0,1]=4 375 B11R1.280 COc1nc(ncc1O)SC 271570a_203496583355_200011934731 [0,0,0,0,0,0|3,0,1]=4 376 B11R1.280 COc1ncc(c(n1)OC)O 271570a_203496583355_100011215025 [0,0,0,0,0,0|3,0,1]=4 377 B11R1.280 CSc1cc(ccc1Br)C#N 62a_200000210301_100012349583 [0,0,0,0,0,0|2,1,1]=4 378 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [0,0,0,0,0,0|2,1,0]=3 379 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [0,0,0,0,0,0|2,1,0]=3 380 B11R1.280 CSc1cc(ccc1C)C#N 62a_200000210301_100000690169 [0,0,0,0,0,0|2,1,1]=4 381 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [0,0,0,0,0,0|2,1,0]=3 382 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [0,0,0,0,0,0|2,1,0]=3 383 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [0,0,0,0,0,0|2,1,1]=4 384 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [0,0,0,0,0,0|2,1,1]=4 385 B11R1.280 CSc1cc(ccc1C)NN 62a_100016991967_200000210301 [0,0,0,0,0,0|3,1,0]=4 386 B11R1.280 CSc1cc(ccc1C)NN 62a_200000210301_100016991967 [0,0,0,0,0,0|3,1,0]=4 387 B11R1.280 CSc1cc(ccc1Cl)C#N 62a_200000210301_100010199462 [0,0,0,0,0,0|2,1,1]=4 388 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [0,0,0,0,0,0|2,1,0]=3 389 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [0,0,0,0,0,0|2,1,0]=3 390 B11R1.280 CSc1cc(ccc1F)C#N 62a_200000210301_100000188605 [0,0,0,0,0,0|2,1,1]=4 391 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [0,0,0,0,0,0|2,1,0]=3 392 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [0,0,0,0,0,0|2,1,0]=3 393 B11R1.280 CSc1cc(ccc1F)CN 62a_100015193890_200000210301 [0,0,0,0,0,0|2,1,1]=4 394 B11R1.280 CSc1cc(ccc1F)CN 62a_200000210301_100015193890 [0,0,0,0,0,0|2,1,1]=4 395 B11R1.280 CSc1cc(ccc1F)CO 62a_100000246287_200000210301 [0,0,0,0,0,0|2,1,1]=4 396 B11R1.280 CSc1cc(ccc1F)CO 62a_200000210301_100000246287 [0,0,0,0,0,0|2,1,1]=4 397 B11R1.280 CSc1cc(ccc1F)NN 62a_200000210301_200025705588 [0,0,0,0,0,0|3,1,0]=4 398 B11R1.280 CSc1cc(ccc1F)NN 62a_200025705588_200000210301 [0,0,0,0,0,0|3,1,0]=4 399 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_100010341305_200025704644 [0,0,0,0,0,0|2,1,1]=4 400 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_200025704644_100010341305 [0,0,0,0,0,0|2,1,1]=4 401 B11R1.280 CSc1cc(ccc1N)C#N 62a_200000210301_100000736769 [0,0,0,0,0,0|2,1,1]=4 402 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [0,0,0,0,0,0|1,1,1]=3 403 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [0,0,0,0,0,0|1,1,0]=2 404 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [0,0,0,0,0,0|1,1,0]=2 405 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [0,0,0,0,0,0|1,1,1]=3 406 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [0,0,0,0,0,0|1,1,1]=3 407 B11R1.280 CSc1cc(cnc1N)C=O 62a_100010064899_200000210301 [0,0,0,0,0,0|3,1,0]=4 408 B11R1.280 CSc1cc(cnc1N)C=O 62a_200000210301_100010064899 [0,0,0,0,0,0|3,1,0]=4 409 B11R1.280 CSc1cc(cnc1O)C#N 62a_200000210301_100009819929 [0,0,0,0,0,0|2,1,1]=4 410 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [0,0,0,0,0,0|2,1,0]=3 411 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [0,0,0,0,0,0|2,1,0]=3 412 B11R1.280 CSc1cc(ncc1C)C=O 62a_100010174032_200000210301 [0,0,0,0,0,0|3,1,0]=4 413 B11R1.280 CSc1cc(ncc1C)C=O 62a_200000210301_100010174032 [0,0,0,0,0,0|3,1,0]=4 414 B11R1.280 CSc1ccc(c(c1)C#N)O 62a_200000210301_100000687585 [0,0,0,0,0,0|3,0,1]=4 415 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [0,0,0,0,0,0|3,0,1]=4 416 B11R1.280 CSc1ccc(c(c1)CN)O 62a_100000730032_200000210301 [0,0,0,0,0,0|3,0,1]=4 417 B11R1.280 CSc1ccc(c(c1)CN)O 62a_200000210301_100000730032 [0,0,0,0,0,0|3,0,1]=4 418 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [0,0,0,0,0,0|3,0,1]=4 419 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [0,0,0,0,0,0|3,0,1]=4 420 B11R1.280 CSc1ccc(c(c1)SC)F 62a_100010341305_200000210301 [0,0,0,0,0,0|2,1,1]=4 421 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_100010341305 [0,0,0,0,0,0|2,1,1]=4 422 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_200010708804 [0,0,0,0,0,0|2,1,1]=4 423 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200010708804_200000210301 [0,0,0,0,0,0|2,1,1]=4 424 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200010708804_200025704644 [0,0,0,0,0,0|2,1,1]=4 425 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010708804 [0,0,0,0,0,0|2,1,1]=4 426 B11R1.280 CSc1nc(ccc1O)CO 62a_200000210301_200000118097 [0,0,0,0,0,0|2,1,1]=4 427 B11R1.280 CSc1nc(ccc1O)CO 62a_200009817064_200000210301 [0,0,0,0,0,0|2,1,1]=4 428 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 34a_100000748024_200025704644 [0,0,0,0,0,0|3,0,1]=4 429 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 7a_100000748024_200025704644 [0,0,0,0,0,0|3,0,1]=4 430 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [0,0,0,0,0,0|3,0,1]=4 431 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [0,0,0,0,0,0|3,0,1]=4 432 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [0,0,0,0,0,0|2,0,1]=3 433 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [0,0,0,0,0,0|2,0,1]=3 434 B11R1.280 Cc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000690169 [0,0,0,0,0,0|2,1,1]=4 435 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [0,0,0,0,0,0|2,1,0]=3 436 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [0,0,0,0,0,0|2,1,0]=3 437 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [0,0,0,0,0,0|2,1,1]=4 438 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [0,0,0,0,0,0|2,1,1]=4 439 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_100016991967_200025704644 [0,0,0,0,0,0|3,1,0]=4 440 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_200025704644_100016991967 [0,0,0,0,0,0|3,1,0]=4 441 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_100010174032_200025704644 [0,0,0,0,0,0|3,1,0]=4 442 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010174032 [0,0,0,0,0,0|3,1,0]=4 443 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [0,0,0,0,0,0|3,0,0]=3 444 B11R1.280 N#Cc1cc(ccc1O)CN 271570a_203496583355_100009846983 [0,0,0,0,0,0|3,0,1]=4 445 B11R1.280 N#Cc1cc(ccc1O)CO 271570a_203496583355_100010145894 [0,0,0,0,0,0|3,0,1]=4 446 B11R1.280 N#Cc1ccc(c(c1)C#N)O 271570a_203496583355_100009995534 [0,0,0,0,0,0|3,0,1]=4 447 B11R1.280 N#Cc1ccc(c(c1)C=O)O 271570a_203496583355_100012179093 [0,0,0,0,0,0|3,0,1]=4 448 B11R1.280 N#Cc1ccc(c(c1)CO)O 271570a_203496583355_100010246249 [0,0,0,0,0,0|3,0,1]=4 449 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [0,0,0,0,0,0|3,0,0]=3 450 B11R1.280 [13CH3]Nc1cc(ccc1Br)C#N 34a_100012001879_200025704644 [0,0,0,0,0,0|3,0,1]=4 451 B11R1.280 [13CH3]Nc1cc(ccc1Br)C#N 7a_100012001879_200025704644 [0,0,0,0,0,0|3,0,1]=4 452 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [0,0,0,0,0,0|3,0,1]=4 453 B11R1.280 [13CH3]Nc1cc(ccc1Cl)C#N 34a_100000766345_200025704644 [0,0,0,0,0,0|3,0,1]=4 454 B11R1.280 [13CH3]Nc1cc(ccc1Cl)C#N 7a_100000766345_200025704644 [0,0,0,0,0,0|3,0,1]=4 455 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [0,0,0,0,0,0|3,0,1]=4 456 B11R1.280 [13CH3]Nc1cc(ccc1F)C#N 34a_100011934650_200025704644 [0,0,0,0,0,0|3,0,1]=4 457 B11R1.280 [13CH3]Nc1cc(ccc1F)C#N 7a_100011934650_200025704644 [0,0,0,0,0,0|3,0,1]=4 458 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [0,0,0,0,0,0|3,0,1]=4 459 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [0,0,0,0,0,0|3,0,1]=4 460 B11R1.280 [13CH3]Nc1cc(ccc1I)C#N 34a_200012349464_200025704644 [0,0,0,0,0,0|3,0,1]=4 461 B11R1.280 [13CH3]Nc1cc(ccc1I)C#N 7a_200012349464_200025704644 [0,0,0,0,0,0|3,0,1]=4 462 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [0,0,0,0,0,0|2,0,1]=3 463 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [0,0,0,0,0,0|2,0,1]=3 464 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [0,0,0,0,0,0|2,0,1]=3 465 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)O 34a_100011249283_200025704644 [0,0,0,0,0,0|3,0,1]=4 466 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [0,0,0,0,0,0|2,0,1]=3 467 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [0,0,0,0,0,0|2,0,1]=3 468 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [0,0,0,0,0,0|2,0,1]=3 469 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [0,0,0,0,0,0|2,0,1]=3 470 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [0,0,0,0,0,0|2,0,1]=3 471 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [0,0,0,0,0,0|2,0,1]=3 472 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [0,0,0,0,0,0|2,0,1]=3 473 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [0,0,0,0,0,0|2,0,1]=3 474 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [0,0,0,0,0,0|2,0,1]=3 475 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [0,0,0,0,0,0|2,0,1]=3 476 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [0,0,0,0,0,0|2,0,1]=3 477 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [0,0,0,0,0,0|2,0,1]=3 478 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [0,0,0,0,0,0|2,0,1]=3 479 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [0,0,0,0,0,0|2,0,1]=3 480 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [0,0,0,0,0,0|2,0,1]=3 481 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [0,0,0,0,0,0|2,0,1]=3 482 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [0,0,0,0,0,0|2,0,1]=3 483 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [0,0,0,0,0,0|2,0,1]=3 484 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [0,0,0,0,0,0|2,0,1]=3 485 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [0,0,0,0,0,0|2,0,1]=3 486 B11R1.280 [13CH3]Sc1cc(ccc1Br)C#N 62a_200025704644_100012349583 [0,0,0,0,0,0|2,1,1]=4 487 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [0,0,0,0,0,0|2,1,0]=3 488 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [0,0,0,0,0,0|2,1,0]=3 489 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C#N 62a_200025704644_100010199462 [0,0,0,0,0,0|2,1,1]=4 490 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [0,0,0,0,0,0|2,1,0]=3 491 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [0,0,0,0,0,0|2,1,0]=3 492 B11R1.280 [13CH3]Sc1cc(ccc1F)C#N 62a_200025704644_100000188605 [0,0,0,0,0,0|2,1,1]=4 493 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [0,0,0,0,0,0|2,1,0]=3 494 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [0,0,0,0,0,0|2,1,0]=3 495 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_100015193890_200025704644 [0,0,0,0,0,0|2,1,1]=4 496 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_200025704644_100015193890 [0,0,0,0,0,0|2,1,1]=4 497 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_100000246287_200025704644 [0,0,0,0,0,0|2,1,1]=4 498 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_200025704644_100000246287 [0,0,0,0,0,0|2,1,1]=4 499 B11R1.280 [13CH3]Sc1cc(ccc1F)NN 62a_200025704644_200025705588 [0,0,0,0,0,0|3,1,0]=4 500 B11R1.280 [13CH3]Sc1cc(ccc1F)NN 62a_200025705588_200025704644 [0,0,0,0,0,0|3,1,0]=4 501 B11R1.280 [13CH3]Sc1cc(ccc1N)C#N 62a_200025704644_100000736769 [0,0,0,0,0,0|2,1,1]=4 502 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [0,0,0,0,0,0|1,1,1]=3 503 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [0,0,0,0,0,0|1,1,0]=2 504 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [0,0,0,0,0,0|1,1,0]=2 505 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [0,0,0,0,0,0|1,1,1]=3 506 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [0,0,0,0,0,0|1,1,1]=3 507 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_100010064899_200025704644 [0,0,0,0,0,0|3,1,0]=4 508 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_200025704644_100010064899 [0,0,0,0,0,0|3,1,0]=4 509 B11R1.280 [13CH3]Sc1cc(cnc1O)C#N 62a_200025704644_100009819929 [0,0,0,0,0,0|2,1,1]=4 510 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [0,0,0,0,0,0|2,1,0]=3 511 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [0,0,0,0,0,0|2,1,0]=3 512 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)O 62a_200025704644_100000687585 [0,0,0,0,0,0|3,0,1]=4 513 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [0,0,0,0,0,0|3,0,1]=4 514 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_100000730032_200025704644 [0,0,0,0,0,0|3,0,1]=4 515 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_200025704644_100000730032 [0,0,0,0,0,0|3,0,1]=4 516 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [0,0,0,0,0,0|3,0,1]=4 517 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [0,0,0,0,0,0|3,0,1]=4 518 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200009817064_200025704644 [0,0,0,0,0,0|2,1,1]=4 519 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200025704644_200000118097 [0,0,0,0,0,0|2,1,1]=4 520 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,0,0,0,0,0|2,0,1]=4 521 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,0,0,0,0,0|1,0,2]=4 522 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,0,0,0,0,0|2,0,1]=4 523 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,0,0,0,0,0|2,0,1]=4 524 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,0,0,0,0,0|2,0,1]=4 525 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,0,0,0,0,0|2,0,1]=4 526 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [1,0,0,0,0,0|3,0,0]=4 527 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [1,0,0,0,0,0|3,0,0]=4 528 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [1,0,0,0,0,0|3,0,0]=4 529 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,0,0,0,0,0|2,0,0]=3 530 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,0,0,0,0,0|2,0,0]=3 531 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,0,0,0,0,0|2,0,0]=3 532 B10R1.30 CNc1cc(ccc1Br)Br 34a_100000737762_200000210301 [1,0,0,0,0,0|3,0,0]=4 533 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [1,0,0,0,0,0|2,0,1]=4 534 B10R1.30 CNc1cc(ccc1Br)Cl 34a_100000687073_200000210301 [1,0,0,0,0,0|3,0,0]=4 535 B10R1.30 CNc1cc(ccc1Br)F 34a_100000687223_200000210301 [1,0,0,0,0,0|3,0,0]=4 536 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [1,0,0,0,0,0|3,0,0]=4 537 B10R1.30 CNc1cc(ccc1C)Br 34a_100000741167_200000210301 [1,0,0,0,0,0|3,0,0]=4 538 B10R1.30 CNc1cc(ccc1C)Br 7a_100000741167_200000210301 [1,0,0,0,0,0|3,0,0]=4 539 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [1,0,0,0,0,0|2,0,1]=4 540 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [1,0,0,0,0,0|2,0,1]=4 541 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [1,0,0,0,0,0|2,0,1]=4 542 B10R1.30 CNc1cc(ccc1C)Cl 34a_100000211374_200000210301 [1,0,0,0,0,0|3,0,0]=4 543 B10R1.30 CNc1cc(ccc1C)Cl 7a_100000211374_200000210301 [1,0,0,0,0,0|3,0,0]=4 544 B10R1.30 CNc1cc(ccc1C)F 34a_100000211107_200000210301 [1,0,0,0,0,0|3,0,0]=4 545 B10R1.30 CNc1cc(ccc1C)F 7a_100000211107_200000210301 [1,0,0,0,0,0|3,0,0]=4 546 B10R1.30 CNc1cc(ccc1C)I 7a_100000761890_200000210301 [1,0,0,0,0,0|3,0,0]=4 547 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [1,0,0,0,0,0|3,0,0]=4 548 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [1,0,0,0,0,0|3,0,0]=4 549 B10R1.30 CNc1cc(ccc1Cl)Br 34a_100000750497_200000210301 [1,0,0,0,0,0|3,0,0]=4 550 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [1,0,0,0,0,0|2,0,1]=4 551 B10R1.30 CNc1cc(ccc1Cl)Cl 34a_100000184485_200000210301 [1,0,0,0,0,0|3,0,0]=4 552 B10R1.30 CNc1cc(ccc1Cl)F 34a_100000751338_200000210301 [1,0,0,0,0,0|3,0,0]=4 553 B10R1.30 CNc1cc(ccc1Cl)I 34a_200000761891_200000210301 [1,0,0,0,0,0|3,0,0]=4 554 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [1,0,0,0,0,0|3,0,0]=4 555 B10R1.30 CNc1cc(ccc1F)Br 34a_100000740924_200000210301 [1,0,0,0,0,0|3,0,0]=4 556 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [1,0,0,0,0,0|2,0,1]=4 557 B10R1.30 CNc1cc(ccc1F)Cl 34a_100000212115_200000210301 [1,0,0,0,0,0|3,0,0]=4 558 B10R1.30 CNc1cc(ccc1F)F 34a_100000210742_200000210301 [1,0,0,0,0,0|3,0,0]=4 559 B10R1.30 CNc1cc(ccc1F)I 34a_100011464823_200000210301 [1,0,0,0,0,0|3,0,0]=4 560 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [1,0,0,0,0,0|3,0,0]=4 561 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [1,0,0,0,0,0|3,0,0]=4 562 B10R1.30 CNc1cc(ccc1I)Br 34a_100000743836_200000210301 [1,0,0,0,0,0|3,0,0]=4 563 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [1,0,0,0,0,0|2,0,1]=4 564 B10R1.30 CNc1cc(ccc1I)Cl 34a_100000761886_200000210301 [1,0,0,0,0,0|3,0,0]=4 565 B10R1.30 CNc1cc(ccc1I)F 34a_100011218093_200000210301 [1,0,0,0,0,0|3,0,0]=4 566 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [1,0,0,0,0,0|3,0,0]=4 567 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,0,0,0,0,0|2,0,0]=3 568 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,0,0,0,0,0|1,0,1]=3 569 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,0,0,0,0,0|2,0,0]=3 570 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,0,0,0,0,0|2,0,0]=3 571 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,0,0,0,0,0|2,0,0]=3 572 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [1,0,0,0,0,0|3,0,0]=4 573 B10R1.30 COc1cc(c[nH]c1=O)O 271570a_203496583355_100010125397 [1,0,0,0,0,0|2,0,1]=4 574 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [1,0,0,0,0,0|2,0,0]=3 575 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [1,0,0,0,0,0|2,0,0]=3 576 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,0,0,0,0,0|1,0,1]=3 577 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,0,0,0,0,0|1,0,1]=3 578 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,0,0,0,0,0|2,0,0]=3 579 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,0,0,0,0,0|2,0,0]=3 580 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [1,0,0,0,0,0|2,0,0]=3 581 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [1,0,0,0,0,0|2,0,0]=3 582 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [1,0,0,0,0,0|2,0,0]=3 583 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [1,0,0,0,0,0|2,0,0]=3 584 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,0,0,0,0,0|2,0,0]=3 585 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [1,0,0,0,0,0|2,0,0]=3 586 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [1,0,0,0,0,0|2,0,0]=3 587 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,0,0,0,0,0|1,0,1]=3 588 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,0,0,0,0,0|1,0,1]=3 589 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,0,0,0,0,0|2,0,0]=3 590 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,0,0,0,0,0|2,0,0]=3 591 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [1,0,0,0,0,0|2,0,0]=3 592 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [1,0,0,0,0,0|2,0,0]=3 593 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [1,0,0,0,0,0|2,0,0]=3 594 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,0,0,0,0,0|2,0,0]=3 595 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,0,0,0,0,0|2,0,0]=3 596 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,0,0,0,0,0|2,0,0]=3 597 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [1,0,0,0,0,0|2,0,0]=3 598 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [1,0,0,0,0,0|2,0,0]=3 599 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,0,0,0,0,0|1,0,1]=3 600 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,0,0,0,0,0|1,0,1]=3 601 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,0,0,0,0,0|2,0,0]=3 602 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,0,0,0,0,0|2,0,0]=3 603 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [1,0,0,0,0,0|2,0,0]=3 604 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [1,0,0,0,0,0|2,0,0]=3 605 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [1,0,0,0,0,0|2,0,0]=3 606 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [1,0,0,0,0,0|2,0,0]=3 607 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,0,0,0,0,0|2,0,0]=3 608 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,0,0,0,0,0|2,0,0]=3 609 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [1,0,0,0,0,0|2,0,0]=3 610 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [1,0,0,0,0,0|2,0,0]=3 611 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,0,0,0,0,0|1,0,1]=3 612 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,0,0,0,0,0|1,0,1]=3 613 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,0,0,0,0,0|2,0,0]=3 614 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,0,0,0,0,0|2,0,0]=3 615 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [1,0,0,0,0,0|2,0,0]=3 616 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [1,0,0,0,0,0|2,0,0]=3 617 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [1,0,0,0,0,0|2,0,0]=3 618 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [1,0,0,0,0,0|2,0,0]=3 619 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,0,0,0,0,0|2,0,0]=3 620 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,0,0,0,0,0|2,0,0]=3 621 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,0,0,0,0,0|2,0,0]=3 622 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [1,0,0,0,0,0|2,0,0]=3 623 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [1,0,0,0,0,0|2,0,0]=3 624 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,0,0,0,0,0|2,0,0]=3 625 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,0,0,0,0,0|2,0,0]=3 626 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [1,0,0,0,0,0|2,0,0]=3 627 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [1,0,0,0,0,0|2,0,0]=3 628 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [1,0,0,0,0,0|2,0,0]=3 629 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [1,0,0,0,0,0|2,0,0]=3 630 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,0,0,0,0,0|1,0,1]=3 631 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,0,0,0,0,0|1,0,1]=3 632 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,0,0,0,0,0|2,0,0]=3 633 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,0,0,0,0,0|2,0,0]=3 634 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [1,0,0,0,0,0|2,0,0]=3 635 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [1,0,0,0,0,0|2,0,0]=3 636 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [1,0,0,0,0,0|2,0,0]=3 637 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [1,0,0,0,0,0|2,0,0]=3 638 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,0,0,0,0,0|2,0,0]=3 639 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,0,0,0,0,0|2,0,0]=3 640 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,0,0,0,0,0|1,0,0]=2 641 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,0,0,0,0,0|0,0,1]=2 642 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,0,0,0,0,0|1,0,0]=2 643 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,0,0,0,0,0|1,0,0]=2 644 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,0,0,0,0,0|1,0,0]=2 645 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,0,0,0,0,0|1,0,0]=2 646 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,0,0,0,0,0|1,0,0]=2 647 B10R1.30 COc1cc(cnc1Br)Cl 34a_100000697010_200000210301 [1,0,0,0,0,0|3,0,0]=4 648 B10R1.30 COc1cc(cnc1Br)Cl 7a_100000697010_200000210301 [1,0,0,0,0,0|3,0,0]=4 649 B10R1.30 COc1cc(cnc1Br)F 34a_100009820119_200000210301 [1,0,0,0,0,0|3,0,0]=4 650 B10R1.30 COc1cc(cnc1Br)F 7a_100009820119_200000210301 [1,0,0,0,0,0|3,0,0]=4 651 B10R1.30 COc1cc(cnc1C)Br 34a_100009864810_200000210301 [1,0,0,0,0,0|3,0,0]=4 652 B10R1.30 COc1cc(cnc1C)Br 7a_100009864810_200000210301 [1,0,0,0,0,0|3,0,0]=4 653 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [1,0,0,0,0,0|3,0,0]=4 654 B10R1.30 COc1cc(cnc1Cl)Br 34a_100012354860_200000210301 [1,0,0,0,0,0|3,0,0]=4 655 B10R1.30 COc1cc(cnc1Cl)Br 7a_100012354860_200000210301 [1,0,0,0,0,0|3,0,0]=4 656 B10R1.30 COc1cc(cnc1Cl)C 34a_100012000487_200000210301 [1,0,0,0,0,0|2,0,1]=4 657 B10R1.30 COc1cc(cnc1Cl)C 7a_100012000487_200000210301 [1,0,0,0,0,0|2,0,1]=4 658 B10R1.30 COc1cc(cnc1Cl)F 34a_100000079967_200000210301 [1,0,0,0,0,0|3,0,0]=4 659 B10R1.30 COc1cc(cnc1Cl)F 7a_100000079967_200000210301 [1,0,0,0,0,0|3,0,0]=4 660 B10R1.30 COc1cc(cnc1F)Br 34a_100009819871_200000210301 [1,0,0,0,0,0|3,0,0]=4 661 B10R1.30 COc1cc(cnc1F)Br 7a_100009819871_200000210301 [1,0,0,0,0,0|3,0,0]=4 662 B10R1.30 COc1cc(cnc1F)C 34a_100009849810_200000210301 [1,0,0,0,0,0|2,0,1]=4 663 B10R1.30 COc1cc(cnc1F)C 7a_100009849810_200000210301 [1,0,0,0,0,0|2,0,1]=4 664 B10R1.30 COc1cc(cnc1F)Cl 34a_100000094372_200000210301 [1,0,0,0,0,0|3,0,0]=4 665 B10R1.30 COc1cc(cnc1F)Cl 7a_100000094372_200000210301 [1,0,0,0,0,0|3,0,0]=4 666 B10R1.30 COc1cc(cnc1F)O 271570a_203496583355_100010214931 [1,0,0,0,0,0|3,0,0]=4 667 B10R1.30 COc1cc(cnc1I)Br 34a_100010210634_200000210301 [1,0,0,0,0,0|3,0,0]=4 668 B10R1.30 COc1cc(cnc1I)Br 7a_100010210634_200000210301 [1,0,0,0,0,0|3,0,0]=4 669 B10R1.30 COc1cc(cnc1I)Cl 34a_100010233512_200000210301 [1,0,0,0,0,0|3,0,0]=4 670 B10R1.30 COc1cc(cnc1I)Cl 7a_100010233512_200000210301 [1,0,0,0,0,0|3,0,0]=4 671 B10R1.30 COc1cc(cnc1I)F 34a_100015624800_200000210301 [1,0,0,0,0,0|3,0,0]=4 672 B10R1.30 COc1cc(cnc1I)F 7a_100015624800_200000210301 [1,0,0,0,0,0|3,0,0]=4 673 B10R1.30 COc1cc(cnc1N)Br 34a_100009819042_200000210301 [1,0,0,0,0,0|3,0,0]=4 674 B10R1.30 COc1cc(cnc1N)Br 7a_100009819042_200000210301 [1,0,0,0,0,0|3,0,0]=4 675 B10R1.30 COc1cc(cnc1N)Cl 34a_100000123674_200000210301 [1,0,0,0,0,0|3,0,0]=4 676 B10R1.30 COc1cc(cnc1N)Cl 7a_100000123674_200000210301 [1,0,0,0,0,0|3,0,0]=4 677 B10R1.30 COc1cc(cnc1N)F 34a_100000094369_200000210301 [1,0,0,0,0,0|3,0,0]=4 678 B10R1.30 COc1cc(cnc1N)F 7a_100000094369_200000210301 [1,0,0,0,0,0|3,0,0]=4 679 B10R1.30 COc1cc(cnc1N)O 271570a_203496583355_106354213024 [1,0,0,0,0,0|3,0,0]=4 680 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,0,0,0,0,0|1,0,1]=3 681 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [1,0,0,0,0,0|2,0,0]=3 682 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [1,0,0,0,0,0|2,0,0]=3 683 B10R1.30 COc1cc(ncc1Br)Br 34a_100010235016_200000210301 [1,0,0,0,0,0|3,0,0]=4 684 B10R1.30 COc1cc(ncc1Br)C 34a_100011016184_200000210301 [1,0,0,0,0,0|2,0,1]=4 685 B10R1.30 COc1cc(ncc1Br)Cl 34a_100010173860_200000210301 [1,0,0,0,0,0|3,0,0]=4 686 B10R1.30 COc1cc(ncc1C)Br 34a_100000704368_200000210301 [1,0,0,0,0,0|3,0,0]=4 687 B10R1.30 COc1cc(ncc1C)Br 7a_100000704368_200000210301 [1,0,0,0,0,0|3,0,0]=4 688 B10R1.30 COc1cc(ncc1C)O 271570a_203496583355_100010067687 [1,0,0,0,0,0|3,0,0]=4 689 B10R1.30 COc1cc(ncc1Cl)Br 34a_100010173861_200000210301 [1,0,0,0,0,0|3,0,0]=4 690 B10R1.30 COc1cc(ncc1F)Br 34a_100009854642_200000210301 [1,0,0,0,0,0|3,0,0]=4 691 B10R1.30 COc1cc(ncc1F)Cl 34a_100009851168_200000210301 [1,0,0,0,0,0|3,0,0]=4 692 B10R1.30 COc1cc(ncc1F)O 271570a_203496583355_200010136270 [1,0,0,0,0,0|3,0,0]=4 693 B10R1.30 COc1cc(ncc1N)O 271570a_203496583355_100009887741 [1,0,0,0,0,0|3,0,0]=4 694 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,0,0,0,0,0|1,0,1]=3 695 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [1,0,0,0,0,0|2,0,0]=3 696 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [1,0,0,0,0,0|2,0,0]=3 697 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [1,0,0,0,0,0|2,0,0]=3 698 B10R1.30 COc1nc(ccc1Br)C 34a_100009817604_200000210301 [1,0,0,0,0,0|2,0,1]=4 699 B10R1.30 COc1nc(ccc1F)Cl 34a_100010729010_200000210301 [1,0,0,0,0,0|3,0,0]=4 700 B10R1.30 COc1nc(ccc1N)C 34a_100000687486_200000210301 [1,0,0,0,0,0|2,0,1]=4 701 B10R1.30 COc1nc(ccc1N)O 271570a_203496583355_100000687816 [1,0,0,0,0,0|3,0,0]=4 702 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,0,0,0,0,0|1,0,1]=3 703 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [1,0,0,0,0,0|2,0,0]=3 704 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [1,0,0,0,0,0|2,0,0]=3 705 B10R1.30 COc1nc(cnc1O)Br 271570a_203496583355_100010214903 [1,0,0,0,0,0|3,0,0]=4 706 B10R1.30 COc1nc(cnc1O)N 271570a_203496583355_100010128448 [1,0,0,0,0,0|3,0,0]=4 707 B10R1.30 COc1nc(cnc1O)O 271570a_203496583355_200010365344 [1,0,0,0,0,0|3,0,0]=4 708 B10R1.30 COc1nc(ncc1O)N 271570a_203496583355_100010240410 [1,0,0,0,0,0|3,0,0]=4 709 B10R1.30 CSc1cc(ccc1Br)Br 62a_100011483371_200000210301 [1,0,0,0,0,0|2,1,0]=4 710 B10R1.30 CSc1cc(ccc1Br)Br 62a_200000210301_100011483371 [1,0,0,0,0,0|2,1,0]=4 711 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [1,0,0,0,0,0|1,1,1]=4 712 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [1,0,0,0,0,0|1,1,1]=4 713 B10R1.30 CSc1cc(ccc1Br)Cl 62a_100012339723_200000210301 [1,0,0,0,0,0|2,1,0]=4 714 B10R1.30 CSc1cc(ccc1Br)Cl 62a_200000210301_100012339723 [1,0,0,0,0,0|2,1,0]=4 715 B10R1.30 CSc1cc(ccc1Br)F 62a_100011217576_200000210301 [1,0,0,0,0,0|2,1,0]=4 716 B10R1.30 CSc1cc(ccc1Br)F 62a_200000210301_100011217576 [1,0,0,0,0,0|2,1,0]=4 717 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,0,0,0,0,0|2,1,0]=4 718 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,0,0,0,0,0|2,1,0]=4 719 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [1,0,0,0,0,0|2,1,0]=4 720 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [1,0,0,0,0,0|2,1,0]=4 721 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [1,0,0,0,0,0|2,1,0]=4 722 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [1,0,0,0,0,0|2,1,0]=4 723 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,0,0,0,0,0|1,1,1]=4 724 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,0,0,0,0,0|1,1,1]=4 725 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [1,0,0,0,0,0|2,1,0]=4 726 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [1,0,0,0,0,0|2,1,0]=4 727 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [1,0,0,0,0,0|2,1,0]=4 728 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [1,0,0,0,0,0|2,1,0]=4 729 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,0,0,0,0,0|2,1,0]=4 730 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,0,0,0,0,0|2,1,0]=4 731 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,0,0,0,0,0|2,1,0]=4 732 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,0,0,0,0,0|2,1,0]=4 733 B10R1.30 CSc1cc(ccc1Cl)Br 62a_100011772130_200000210301 [1,0,0,0,0,0|2,1,0]=4 734 B10R1.30 CSc1cc(ccc1Cl)Br 62a_200000210301_100011772130 [1,0,0,0,0,0|2,1,0]=4 735 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [1,0,0,0,0,0|1,1,1]=4 736 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [1,0,0,0,0,0|1,1,1]=4 737 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_100000707729_200000210301 [1,0,0,0,0,0|2,1,0]=4 738 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_200000210301_100000707729 [1,0,0,0,0,0|2,1,0]=4 739 B10R1.30 CSc1cc(ccc1Cl)F 62a_100011217299_200000210301 [1,0,0,0,0,0|2,1,0]=4 740 B10R1.30 CSc1cc(ccc1Cl)F 62a_200000210301_100011217299 [1,0,0,0,0,0|2,1,0]=4 741 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,0,0,0,0,0|2,1,0]=4 742 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,0,0,0,0,0|2,1,0]=4 743 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [1,0,0,0,0,0|2,1,0]=4 744 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [1,0,0,0,0,0|2,1,0]=4 745 B10R1.30 CSc1cc(ccc1F)Br 62a_100011217312_200000210301 [1,0,0,0,0,0|2,1,0]=4 746 B10R1.30 CSc1cc(ccc1F)Br 62a_200000210301_100011217312 [1,0,0,0,0,0|2,1,0]=4 747 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [1,0,0,0,0,0|1,1,1]=4 748 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [1,0,0,0,0,0|1,1,1]=4 749 B10R1.30 CSc1cc(ccc1F)Cl 62a_100011218116_200000210301 [1,0,0,0,0,0|2,1,0]=4 750 B10R1.30 CSc1cc(ccc1F)Cl 62a_200000210301_100011218116 [1,0,0,0,0,0|2,1,0]=4 751 B10R1.30 CSc1cc(ccc1F)F 62a_100011219198_200000210301 [1,0,0,0,0,0|2,1,0]=4 752 B10R1.30 CSc1cc(ccc1F)F 62a_200000210301_100011219198 [1,0,0,0,0,0|2,1,0]=4 753 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,0,0,0,0,0|2,1,0]=4 754 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,0,0,0,0,0|2,1,0]=4 755 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [1,0,0,0,0,0|2,1,0]=4 756 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [1,0,0,0,0,0|2,1,0]=4 757 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [1,0,0,0,0,0|2,1,0]=4 758 B10R1.30 CSc1cc(ccc1N)Br 62a_100000187925_200000210301 [1,0,0,0,0,0|2,1,0]=4 759 B10R1.30 CSc1cc(ccc1N)Br 62a_200000210301_100000187925 [1,0,0,0,0,0|2,1,0]=4 760 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [1,0,0,0,0,0|1,1,1]=4 761 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [1,0,0,0,0,0|1,1,1]=4 762 B10R1.30 CSc1cc(ccc1N)Cl 62a_100000761889_200000210301 [1,0,0,0,0,0|2,1,0]=4 763 B10R1.30 CSc1cc(ccc1N)Cl 62a_200000210301_100000761889 [1,0,0,0,0,0|2,1,0]=4 764 B10R1.30 CSc1cc(ccc1N)F 62a_100000760547_200000210301 [1,0,0,0,0,0|2,1,0]=4 765 B10R1.30 CSc1cc(ccc1N)F 62a_200000210301_100000760547 [1,0,0,0,0,0|2,1,0]=4 766 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,0,0,0,0,0|2,1,0]=4 767 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,0,0,0,0,0|2,1,0]=4 768 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [1,0,0,0,0,0|2,1,0]=4 769 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [1,0,0,0,0,0|2,1,0]=4 770 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,0,0,0,0,0|1,1,0]=3 771 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,0,0,0,0,0|1,1,0]=3 772 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,0,0,0,0,0|0,1,1]=3 773 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,0,0,0,0,0|0,1,1]=3 774 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,0,0,0,0,0|0,1,1]=3 775 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,0,0,0,0,0|1,1,0]=3 776 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,0,0,0,0,0|1,1,0]=3 777 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,0,0,0,0,0|1,1,0]=3 778 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,0,0,0,0,0|1,1,0]=3 779 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,0,0,0,0,0|1,1,0]=3 780 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,0,0,0,0,0|1,1,0]=3 781 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,0,0,0,0,0|1,1,0]=3 782 B10R1.30 CSc1cc(cnc1O)Br 62a_100010197142_200000210301 [1,0,0,0,0,0|2,1,0]=4 783 B10R1.30 CSc1cc(cnc1O)Br 62a_200000210301_100010197142 [1,0,0,0,0,0|2,1,0]=4 784 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [1,0,0,0,0,0|1,1,1]=4 785 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [1,0,0,0,0,0|1,1,1]=4 786 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [1,0,0,0,0,0|1,1,1]=4 787 B10R1.30 CSc1cc(cnc1O)Cl 62a_100010188700_200000210301 [1,0,0,0,0,0|2,1,0]=4 788 B10R1.30 CSc1cc(cnc1O)Cl 62a_200000210301_100010188700 [1,0,0,0,0,0|2,1,0]=4 789 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [1,0,0,0,0,0|1,1,1]=4 790 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [1,0,0,0,0,0|1,1,1]=4 791 B10R1.30 CSc1cc(ncc1O)Cl 62a_100000698892_200000210301 [1,0,0,0,0,0|2,1,0]=4 792 B10R1.30 CSc1cc(ncc1O)Cl 62a_200000210301_100000698892 [1,0,0,0,0,0|2,1,0]=4 793 B10R1.30 CSc1nc(ccc1O)Br 62a_100010253912_200000210301 [1,0,0,0,0,0|2,1,0]=4 794 B10R1.30 CSc1nc(ccc1O)Br 62a_200000210301_100010253912 [1,0,0,0,0,0|2,1,0]=4 795 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [1,0,0,0,0,0|1,1,1]=4 796 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [1,0,0,0,0,0|1,1,1]=4 797 B10R1.30 CSc1nc(ccc1O)Cl 62a_200000210301_100000696390 [1,0,0,0,0,0|2,1,0]=4 798 B10R1.30 CSc1nc(ccc1O)F 62a_100010382442_200000210301 [1,0,0,0,0,0|2,1,0]=4 799 B10R1.30 CSc1nc(ccc1O)F 62a_200000210301_100010382442 [1,0,0,0,0,0|2,1,0]=4 800 B10R1.30 Cc1cc(c(cn1)Br)O[13CH3] 34a_100011016184_200025704644 [1,0,0,0,0,0|2,0,1]=4 801 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [1,0,0,0,0,0|1,1,1]=4 802 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [1,0,0,0,0,0|1,1,1]=4 803 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,0,0,0,0,0|2,0,1]=4 804 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,0,0,0,0,0|2,0,1]=4 805 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,0,0,0,0,0|2,0,1]=4 806 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [1,0,0,0,0,0|2,0,1]=4 807 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [1,0,0,0,0,0|2,0,1]=4 808 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [1,0,0,0,0,0|2,0,1]=4 809 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [1,0,0,0,0,0|2,0,1]=4 810 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [1,0,0,0,0,0|2,0,1]=4 811 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [1,0,0,0,0,0|2,0,1]=4 812 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [1,0,0,0,0,0|2,0,1]=4 813 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,0,0,0,0,0|1,0,1]=3 814 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,0,0,0,0,0|1,0,1]=3 815 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,0,0,0,0,0|1,0,1]=3 816 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,0,0,0,0,0|1,0,1]=3 817 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,0,0,0,0,0|1,0,1]=3 818 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,0,0,0,0,0|1,0,1]=3 819 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,0,0,0,0,0|1,0,1]=3 820 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,0,0,0,0,0|1,0,1]=3 821 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,0,0,0,0,0|1,0,1]=3 822 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,0,0,0,0,0|1,0,1]=3 823 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,0,0,0,0,0|1,0,1]=3 824 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [1,0,0,0,0,0|1,1,1]=4 825 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [1,0,0,0,0,0|1,1,1]=4 826 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,0,0,0,0,0|1,1,1]=4 827 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,0,0,0,0,0|1,1,1]=4 828 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [1,0,0,0,0,0|1,1,1]=4 829 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [1,0,0,0,0,0|1,1,1]=4 830 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [1,0,0,0,0,0|1,1,1]=4 831 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [1,0,0,0,0,0|1,1,1]=4 832 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [1,0,0,0,0,0|1,1,1]=4 833 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [1,0,0,0,0,0|1,1,1]=4 834 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,0,0,0,0,0|0,1,1]=3 835 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,0,0,0,0,0|0,1,1]=3 836 B10R1.30 Cc1ccc(c(n1)O[13CH3])Br 34a_100009817604_200025704644 [1,0,0,0,0,0|2,0,1]=4 837 B10R1.30 Cc1ccc(c(n1)O[13CH3])N 34a_100000687486_200025704644 [1,0,0,0,0,0|2,0,1]=4 838 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [1,0,0,0,0,0|1,1,1]=4 839 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [1,0,0,0,0,0|1,1,1]=4 840 B10R1.30 Cc1ccc(cc1N[13CH3])Br 34a_100000741167_200025704644 [1,0,0,0,0,0|3,0,0]=4 841 B10R1.30 Cc1ccc(cc1N[13CH3])Br 7a_100000741167_200025704644 [1,0,0,0,0,0|3,0,0]=4 842 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 34a_100000211374_200025704644 [1,0,0,0,0,0|3,0,0]=4 843 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 7a_100000211374_200025704644 [1,0,0,0,0,0|3,0,0]=4 844 B10R1.30 Cc1ccc(cc1N[13CH3])F 34a_100000211107_200025704644 [1,0,0,0,0,0|3,0,0]=4 845 B10R1.30 Cc1ccc(cc1N[13CH3])F 7a_100000211107_200025704644 [1,0,0,0,0,0|3,0,0]=4 846 B10R1.30 Cc1ccc(cc1N[13CH3])I 7a_100000761890_200025704644 [1,0,0,0,0,0|3,0,0]=4 847 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [1,0,0,0,0,0|3,0,0]=4 848 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [1,0,0,0,0,0|2,0,0]=3 849 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [1,0,0,0,0,0|2,0,0]=3 850 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,0,0,0,0,0|2,0,0]=3 851 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,0,0,0,0,0|2,0,0]=3 852 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [1,0,0,0,0,0|2,0,0]=3 853 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [1,0,0,0,0,0|2,0,0]=3 854 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [1,0,0,0,0,0|2,0,0]=3 855 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,0,0,0,0,0|2,0,0]=3 856 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,0,0,0,0,0|2,0,0]=3 857 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [1,0,0,0,0,0|2,1,0]=4 858 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [1,0,0,0,0,0|2,1,0]=4 859 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [1,0,0,0,0,0|2,1,0]=4 860 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [1,0,0,0,0,0|2,1,0]=4 861 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [1,0,0,0,0,0|2,1,0]=4 862 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [1,0,0,0,0,0|2,1,0]=4 863 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,0,0,0,0,0|2,1,0]=4 864 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,0,0,0,0,0|2,1,0]=4 865 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,0,0,0,0,0|2,1,0]=4 866 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,0,0,0,0,0|2,1,0]=4 867 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 34a_100012000487_200025704644 [1,0,0,0,0,0|2,0,1]=4 868 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 7a_100012000487_200025704644 [1,0,0,0,0,0|2,0,1]=4 869 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 34a_100009849810_200025704644 [1,0,0,0,0,0|2,0,1]=4 870 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 7a_100009849810_200025704644 [1,0,0,0,0,0|2,0,1]=4 871 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [1,0,0,0,0,0|1,1,1]=4 872 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [1,0,0,0,0,0|1,1,1]=4 873 B10R1.30 Cc1cnc(cc1O[13CH3])Br 34a_100000704368_200025704644 [1,0,0,0,0,0|3,0,0]=4 874 B10R1.30 Cc1cnc(cc1O[13CH3])Br 7a_100000704368_200025704644 [1,0,0,0,0,0|3,0,0]=4 875 B10R1.30 Cc1ncc(cc1O[13CH3])Br 34a_100009864810_200025704644 [1,0,0,0,0,0|3,0,0]=4 876 B10R1.30 Cc1ncc(cc1O[13CH3])Br 7a_100009864810_200025704644 [1,0,0,0,0,0|3,0,0]=4 877 B10R1.30 N#Cc1cc(ccc1O)Br 271570a_203496583355_100011219714 [1,0,0,0,0,0|3,0,0]=4 878 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,0,0,0,0,0|3,0,0]=4 879 B10R1.30 N#Cc1cc(ccc1O)F 271570a_203496583355_100000747550 [1,0,0,0,0,0|3,0,0]=4 880 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,0,0,0,0,0|3,0,0]=4 881 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,0,0,0,0,0|3,0,0]=4 882 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,0,0,0,0,0|3,0,0]=4 883 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [1,0,0,0,0,0|3,0,0]=4 884 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,0,0,0,0,0|3,0,0]=4 885 B10R1.30 NNc1cc(ccc1O)F 271570a_203496583355_100012362518 [1,0,0,0,0,0|3,0,0]=4 886 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,0,0,0,0,0|3,0,0]=4 887 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,0,0,0,0,0|3,0,0]=4 888 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,0,0,0,0,0|3,0,0]=4 889 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,0,0,0,0,0|3,0,0]=4 890 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,0,0,0,0,0|3,0,0]=4 891 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,0,0,0,0,0|3,0,0]=4 892 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,0,0,0,0,0|3,0,0]=4 893 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,0,0,0,0,0|3,0,0]=4 894 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,0,0,0,0,0|3,0,0]=4 895 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,0,0,0,0,0|3,0,0]=4 896 B10R1.30 [13CH3]Nc1cc(ccc1Br)Br 34a_100000737762_200025704644 [1,0,0,0,0,0|3,0,0]=4 897 B10R1.30 [13CH3]Nc1cc(ccc1Br)Cl 34a_100000687073_200025704644 [1,0,0,0,0,0|3,0,0]=4 898 B10R1.30 [13CH3]Nc1cc(ccc1Br)F 34a_100000687223_200025704644 [1,0,0,0,0,0|3,0,0]=4 899 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [1,0,0,0,0,0|3,0,0]=4 900 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Br 34a_100000750497_200025704644 [1,0,0,0,0,0|3,0,0]=4 901 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Cl 34a_100000184485_200025704644 [1,0,0,0,0,0|3,0,0]=4 902 B10R1.30 [13CH3]Nc1cc(ccc1Cl)F 34a_100000751338_200025704644 [1,0,0,0,0,0|3,0,0]=4 903 B10R1.30 [13CH3]Nc1cc(ccc1Cl)I 34a_200000761891_200025704644 [1,0,0,0,0,0|3,0,0]=4 904 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [1,0,0,0,0,0|3,0,0]=4 905 B10R1.30 [13CH3]Nc1cc(ccc1F)Br 34a_100000740924_200025704644 [1,0,0,0,0,0|3,0,0]=4 906 B10R1.30 [13CH3]Nc1cc(ccc1F)Cl 34a_100000212115_200025704644 [1,0,0,0,0,0|3,0,0]=4 907 B10R1.30 [13CH3]Nc1cc(ccc1F)F 34a_100000210742_200025704644 [1,0,0,0,0,0|3,0,0]=4 908 B10R1.30 [13CH3]Nc1cc(ccc1F)I 34a_100011464823_200025704644 [1,0,0,0,0,0|3,0,0]=4 909 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [1,0,0,0,0,0|3,0,0]=4 910 B10R1.30 [13CH3]Nc1cc(ccc1I)Br 34a_100000743836_200025704644 [1,0,0,0,0,0|3,0,0]=4 911 B10R1.30 [13CH3]Nc1cc(ccc1I)Cl 34a_100000761886_200025704644 [1,0,0,0,0,0|3,0,0]=4 912 B10R1.30 [13CH3]Nc1cc(ccc1I)F 34a_100011218093_200025704644 [1,0,0,0,0,0|3,0,0]=4 913 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,0,0,0,0,0|2,0,0]=3 914 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,0,0,0,0,0|2,0,0]=3 915 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,0,0,0,0,0|2,0,0]=3 916 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [1,0,0,0,0,0|3,0,0]=4 917 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [1,0,0,0,0,0|2,0,0]=3 918 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [1,0,0,0,0,0|2,0,0]=3 919 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,0,0,0,0,0|2,0,0]=3 920 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,0,0,0,0,0|2,0,0]=3 921 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [1,0,0,0,0,0|2,0,0]=3 922 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [1,0,0,0,0,0|2,0,0]=3 923 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [1,0,0,0,0,0|2,0,0]=3 924 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [1,0,0,0,0,0|2,0,0]=3 925 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [1,0,0,0,0,0|2,0,0]=3 926 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [1,0,0,0,0,0|2,0,0]=3 927 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,0,0,0,0,0|2,0,0]=3 928 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,0,0,0,0,0|2,0,0]=3 929 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [1,0,0,0,0,0|2,0,0]=3 930 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [1,0,0,0,0,0|2,0,0]=3 931 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [1,0,0,0,0,0|2,0,0]=3 932 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [1,0,0,0,0,0|2,0,0]=3 933 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,0,0,0,0,0|2,0,0]=3 934 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [1,0,0,0,0,0|2,0,0]=3 935 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [1,0,0,0,0,0|2,0,0]=3 936 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,0,0,0,0,0|2,0,0]=3 937 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,0,0,0,0,0|2,0,0]=3 938 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [1,0,0,0,0,0|2,0,0]=3 939 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [1,0,0,0,0,0|2,0,0]=3 940 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [1,0,0,0,0,0|2,0,0]=3 941 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [1,0,0,0,0,0|2,0,0]=3 942 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,0,0,0,0,0|2,0,0]=3 943 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,0,0,0,0,0|2,0,0]=3 944 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [1,0,0,0,0,0|2,0,0]=3 945 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [1,0,0,0,0,0|2,0,0]=3 946 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,0,0,0,0,0|2,0,0]=3 947 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,0,0,0,0,0|2,0,0]=3 948 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [1,0,0,0,0,0|2,0,0]=3 949 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [1,0,0,0,0,0|2,0,0]=3 950 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [1,0,0,0,0,0|2,0,0]=3 951 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [1,0,0,0,0,0|2,0,0]=3 952 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,0,0,0,0,0|2,0,0]=3 953 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,0,0,0,0,0|2,0,0]=3 954 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [1,0,0,0,0,0|2,0,0]=3 955 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [1,0,0,0,0,0|2,0,0]=3 956 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [1,0,0,0,0,0|2,0,0]=3 957 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [1,0,0,0,0,0|2,0,0]=3 958 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,0,0,0,0,0|2,0,0]=3 959 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 34a_100000697010_200025704644 [1,0,0,0,0,0|3,0,0]=4 960 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 7a_100000697010_200025704644 [1,0,0,0,0,0|3,0,0]=4 961 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 34a_100009820119_200025704644 [1,0,0,0,0,0|3,0,0]=4 962 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 7a_100009820119_200025704644 [1,0,0,0,0,0|3,0,0]=4 963 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 34a_100012354860_200025704644 [1,0,0,0,0,0|3,0,0]=4 964 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 7a_100012354860_200025704644 [1,0,0,0,0,0|3,0,0]=4 965 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 34a_100000079967_200025704644 [1,0,0,0,0,0|3,0,0]=4 966 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 7a_100000079967_200025704644 [1,0,0,0,0,0|3,0,0]=4 967 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 34a_100009819871_200025704644 [1,0,0,0,0,0|3,0,0]=4 968 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 7a_100009819871_200025704644 [1,0,0,0,0,0|3,0,0]=4 969 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 34a_100000094372_200025704644 [1,0,0,0,0,0|3,0,0]=4 970 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 7a_100000094372_200025704644 [1,0,0,0,0,0|3,0,0]=4 971 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 34a_100010210634_200025704644 [1,0,0,0,0,0|3,0,0]=4 972 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 7a_100010210634_200025704644 [1,0,0,0,0,0|3,0,0]=4 973 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 34a_100010233512_200025704644 [1,0,0,0,0,0|3,0,0]=4 974 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 7a_100010233512_200025704644 [1,0,0,0,0,0|3,0,0]=4 975 B10R1.30 [13CH3]Oc1cc(cnc1I)F 34a_100015624800_200025704644 [1,0,0,0,0,0|3,0,0]=4 976 B10R1.30 [13CH3]Oc1cc(cnc1I)F 7a_100015624800_200025704644 [1,0,0,0,0,0|3,0,0]=4 977 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 34a_100009819042_200025704644 [1,0,0,0,0,0|3,0,0]=4 978 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 7a_100009819042_200025704644 [1,0,0,0,0,0|3,0,0]=4 979 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 34a_100000123674_200025704644 [1,0,0,0,0,0|3,0,0]=4 980 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 7a_100000123674_200025704644 [1,0,0,0,0,0|3,0,0]=4 981 B10R1.30 [13CH3]Oc1cc(cnc1N)F 34a_100000094369_200025704644 [1,0,0,0,0,0|3,0,0]=4 982 B10R1.30 [13CH3]Oc1cc(cnc1N)F 7a_100000094369_200025704644 [1,0,0,0,0,0|3,0,0]=4 983 B10R1.30 [13CH3]Oc1cc(ncc1Br)Br 34a_100010235016_200025704644 [1,0,0,0,0,0|3,0,0]=4 984 B10R1.30 [13CH3]Oc1cc(ncc1Br)Cl 34a_100010173860_200025704644 [1,0,0,0,0,0|3,0,0]=4 985 B10R1.30 [13CH3]Oc1cc(ncc1Cl)Br 34a_100010173861_200025704644 [1,0,0,0,0,0|3,0,0]=4 986 B10R1.30 [13CH3]Oc1cc(ncc1F)Br 34a_100009854642_200025704644 [1,0,0,0,0,0|3,0,0]=4 987 B10R1.30 [13CH3]Oc1cc(ncc1F)Cl 34a_100009851168_200025704644 [1,0,0,0,0,0|3,0,0]=4 988 B10R1.30 [13CH3]Oc1nc(ccc1F)Cl 34a_100010729010_200025704644 [1,0,0,0,0,0|3,0,0]=4 989 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_100011483371_200025704644 [1,0,0,0,0,0|2,1,0]=4 990 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_200025704644_100011483371 [1,0,0,0,0,0|2,1,0]=4 991 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_100012339723_200025704644 [1,0,0,0,0,0|2,1,0]=4 992 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_200025704644_100012339723 [1,0,0,0,0,0|2,1,0]=4 993 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_100011217576_200025704644 [1,0,0,0,0,0|2,1,0]=4 994 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_200025704644_100011217576 [1,0,0,0,0,0|2,1,0]=4 995 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,0,0,0,0,0|2,1,0]=4 996 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,0,0,0,0,0|2,1,0]=4 997 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [1,0,0,0,0,0|2,1,0]=4 998 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [1,0,0,0,0,0|2,1,0]=4 999 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_100011772130_200025704644 [1,0,0,0,0,0|2,1,0]=4 1000 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_200025704644_100011772130 [1,0,0,0,0,0|2,1,0]=4 1001 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_100000707729_200025704644 [1,0,0,0,0,0|2,1,0]=4 1002 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_200025704644_100000707729 [1,0,0,0,0,0|2,1,0]=4 1003 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_100011217299_200025704644 [1,0,0,0,0,0|2,1,0]=4 1004 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_200025704644_100011217299 [1,0,0,0,0,0|2,1,0]=4 1005 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,0,0,0,0,0|2,1,0]=4 1006 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,0,0,0,0,0|2,1,0]=4 1007 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [1,0,0,0,0,0|2,1,0]=4 1008 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [1,0,0,0,0,0|2,1,0]=4 1009 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_100011217312_200025704644 [1,0,0,0,0,0|2,1,0]=4 1010 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_200025704644_100011217312 [1,0,0,0,0,0|2,1,0]=4 1011 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_100011218116_200025704644 [1,0,0,0,0,0|2,1,0]=4 1012 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_200025704644_100011218116 [1,0,0,0,0,0|2,1,0]=4 1013 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_100011219198_200025704644 [1,0,0,0,0,0|2,1,0]=4 1014 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_200025704644_100011219198 [1,0,0,0,0,0|2,1,0]=4 1015 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,0,0,0,0,0|2,1,0]=4 1016 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,0,0,0,0,0|2,1,0]=4 1017 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [1,0,0,0,0,0|2,1,0]=4 1018 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [1,0,0,0,0,0|2,1,0]=4 1019 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_100000187925_200025704644 [1,0,0,0,0,0|2,1,0]=4 1020 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_200025704644_100000187925 [1,0,0,0,0,0|2,1,0]=4 1021 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_100000761889_200025704644 [1,0,0,0,0,0|2,1,0]=4 1022 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_200025704644_100000761889 [1,0,0,0,0,0|2,1,0]=4 1023 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_100000760547_200025704644 [1,0,0,0,0,0|2,1,0]=4 1024 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_200025704644_100000760547 [1,0,0,0,0,0|2,1,0]=4 1025 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,0,0,0,0,0|2,1,0]=4 1026 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,0,0,0,0,0|2,1,0]=4 1027 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [1,0,0,0,0,0|2,1,0]=4 1028 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [1,0,0,0,0,0|2,1,0]=4 1029 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,0,0,0,0,0|1,1,0]=3 1030 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,0,0,0,0,0|1,1,0]=3 1031 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,0,0,0,0,0|1,1,0]=3 1032 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,0,0,0,0,0|1,1,0]=3 1033 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,0,0,0,0,0|1,1,0]=3 1034 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,0,0,0,0,0|1,1,0]=3 1035 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,0,0,0,0,0|1,1,0]=3 1036 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,0,0,0,0,0|1,1,0]=3 1037 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,0,0,0,0,0|1,1,0]=3 1038 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_100010197142_200025704644 [1,0,0,0,0,0|2,1,0]=4 1039 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_200025704644_100010197142 [1,0,0,0,0,0|2,1,0]=4 1040 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_100010188700_200025704644 [1,0,0,0,0,0|2,1,0]=4 1041 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_200025704644_100010188700 [1,0,0,0,0,0|2,1,0]=4 1042 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_100000698892_200025704644 [1,0,0,0,0,0|2,1,0]=4 1043 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_200025704644_100000698892 [1,0,0,0,0,0|2,1,0]=4 1044 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_100010253912_200025704644 [1,0,0,0,0,0|2,1,0]=4 1045 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_200025704644_100010253912 [1,0,0,0,0,0|2,1,0]=4 1046 B10R1.30 [13CH3]Sc1nc(ccc1O)Cl 62a_200025704644_100000696390 [1,0,0,0,0,0|2,1,0]=4 1047 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_100010382442_200025704644 [1,0,0,0,0,0|2,1,0]=4 1048 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_200025704644_100010382442 [1,0,0,0,0,0|2,1,0]=4 1049 B10R1.172 C#Cc1cccc(c1)NC 2230a_100000735509_200000210301 [1,0,0,0,0,0|1,0,2]=4 1050 B10R1.172 C#Cc1cccc(c1)NC 34a_100000735509_200000210301 [1,0,0,0,0,0|1,0,2]=4 1051 B10R1.172 C#Cc1cccc(c1)N[13CH3] 2230a_100000735509_200025704644 [1,0,0,0,0,0|1,0,2]=4 1052 B10R1.172 C#Cc1cccc(c1)N[13CH3] 34a_100000735509_200025704644 [1,0,0,0,0,0|1,0,2]=4 1053 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [1,0,0,0,0,0|0,0,2]=3 1054 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [1,0,0,0,0,0|0,0,2]=3 1055 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [1,0,0,0,0,0|0,0,2]=3 1056 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [1,0,0,0,0,0|0,0,2]=3 1057 B10R1.172 C=Cc1cc(ccn1)C#N 271570a_100011290941_100011291639 [1,0,0,0,0,0|3,0,0]=4 1058 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [1,0,0,0,0,0|3,0,0]=4 1059 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [1,0,0,0,0,0|2,0,0]=3 1060 B10R1.172 C=Cc1cc(ccn1)CO 271570a_100011290941_100009814636 [1,0,0,0,0,0|3,0,0]=4 1061 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [1,0,0,0,0,0|2,0,0]=3 1062 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [1,0,0,0,0,0|1,0,0]=2 1063 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [1,0,0,0,0,0|1,1,0]=3 1064 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [1,0,0,0,0,0|1,1,0]=3 1065 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [1,0,0,0,0,0|1,1,0]=3 1066 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [1,0,0,0,0,0|1,1,0]=3 1067 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [1,0,0,0,0,0|1,1,0]=3 1068 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [1,0,0,0,0,0|2,0,0]=3 1069 B10R1.172 C=Cc1cc(ncn1)CC 271570a_100011290941_100000744278 [1,0,0,0,0,0|3,0,0]=4 1070 B10R1.172 C=Cc1cc(ncn1)NC 271570a_100011290941_100000756605 [1,0,0,0,0,0|3,0,0]=4 1071 B10R1.172 C=Cc1cc(ncn1)OC 271570a_100011290941_100012187182 [1,0,0,0,0,0|2,0,0]=3 1072 B10R1.172 C=Cc1cc(ncn1)SC 271570a_100011290941_100011443430 [1,0,0,0,0,0|2,1,0]=4 1073 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [1,0,0,0,0,0|2,0,0]=3 1074 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [1,0,0,0,0,0|2,0,0]=3 1075 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [1,0,0,0,0,0|1,0,0]=2 1076 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [1,0,0,0,0,0|2,0,0]=3 1077 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [1,0,0,0,0,0|2,0,0]=3 1078 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [1,0,0,0,0,0|2,0,0]=3 1079 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [1,0,0,0,0,0|1,0,0]=2 1080 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [1,0,0,0,0,0|1,0,0]=2 1081 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [1,0,0,0,0,0|2,0,0]=3 1082 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [1,0,0,0,0,0|1,0,0]=2 1083 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [1,0,0,0,0,0|0,0,0]=1 1084 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [1,0,0,0,0,0|0,0,0]=1 1085 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [1,0,0,0,0,0|0,0,0]=1 1086 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [1,0,0,0,0,0|0,0,0]=1 1087 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [1,0,0,0,0,0|0,0,0]=1 1088 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [1,0,0,0,0,0|0,1,0]=2 1089 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [1,0,0,0,0,0|0,1,0]=2 1090 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [1,0,0,0,0,0|0,1,0]=2 1091 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [1,0,0,0,0,0|0,1,0]=2 1092 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [1,0,0,0,0,0|0,1,0]=2 1093 B10R1.172 C=Cc1cccc(n1)C#N 271570a_100011290941_100011934037 [1,0,0,0,0,0|3,0,0]=4 1094 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [1,0,0,0,0,0|3,0,0]=4 1095 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [1,0,0,0,0,0|2,0,0]=3 1096 B10R1.172 C=Cc1cccc(n1)CN 271570a_100011290941_100016990191 [1,0,0,0,0,0|3,0,0]=4 1097 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [1,0,0,0,0,0|3,0,0]=4 1098 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [1,0,0,0,0,0|2,0,0]=3 1099 B10R1.172 C=Cc1cccc(n1)NN 271570a_100011290941_100009817029 [1,0,0,0,0,0|3,0,0]=4 1100 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [1,0,0,0,0,0|1,0,0]=2 1101 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [1,0,0,0,0,0|1,1,0]=3 1102 B10R1.172 C=Cc1ccnc(c1)C#N 271570a_100011290941_100000685610 [1,0,0,0,0,0|3,0,0]=4 1103 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [1,0,0,0,0,0|3,0,0]=4 1104 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [1,0,0,0,0,0|2,0,0]=3 1105 B10R1.172 C=Cc1ccnc(c1)CN 271570a_100011290941_100000085674 [1,0,0,0,0,0|3,0,0]=4 1106 B10R1.172 C=Cc1ccnc(c1)CO 271570a_100011290941_100009819072 [1,0,0,0,0,0|3,0,0]=4 1107 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [1,0,0,0,0,0|2,0,0]=3 1108 B10R1.172 C=Cc1ccnc(c1)NN 271570a_100011290941_100000764631 [1,0,0,0,0,0|3,0,0]=4 1109 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [1,0,0,0,0,0|1,0,0]=2 1110 B10R1.172 C=Cc1ccnc(n1)NC 271570a_100011290941_100012000420 [1,0,0,0,0,0|3,0,0]=4 1111 B10R1.172 C=Cc1ccnc(n1)OC 271570a_100011290941_100000069072 [1,0,0,0,0,0|2,0,0]=3 1112 B10R1.172 C=Cc1ccnc(n1)SC 271570a_100011290941_100000032126 [1,0,0,0,0,0|2,1,0]=4 1113 B10R1.172 C=Cc1cncc(c1)C#N 271570a_100011290941_100000686085 [1,0,0,0,0,0|3,0,0]=4 1114 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [1,0,0,0,0,0|3,0,0]=4 1115 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [1,0,0,0,0,0|2,0,0]=3 1116 B10R1.172 C=Cc1cncc(c1)CN 271570a_100011290941_100011249555 [1,0,0,0,0,0|3,0,0]=4 1117 B10R1.172 C=Cc1cncc(c1)CO 271570a_100011290941_100011259137 [1,0,0,0,0,0|3,0,0]=4 1118 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [1,0,0,0,0,0|2,0,0]=3 1119 B10R1.172 C=Cc1cncc(c1)NN 271570a_100011290941_100000727789 [1,0,0,0,0,0|3,0,0]=4 1120 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [1,0,0,0,0,0|1,0,0]=2 1121 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [1,0,0,0,0,0|1,1,0]=3 1122 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [1,0,0,0,0,0|1,1,0]=3 1123 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [1,0,0,0,0,0|1,1,0]=3 1124 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [1,0,0,0,0,0|1,1,0]=3 1125 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [1,0,0,0,0,0|1,1,0]=3 1126 B10R1.172 C=Cc1cncc(n1)NC 271570a_100011290941_100011529438 [1,0,0,0,0,0|3,0,0]=4 1127 B10R1.172 C=Cc1cncc(n1)OC 271570a_100011290941_100000756030 [1,0,0,0,0,0|2,0,0]=3 1128 B10R1.172 C=Cc1nccc(n1)CC 271570a_100011290941_100000100215 [1,0,0,0,0,0|3,0,0]=4 1129 B10R1.172 C=Cc1nccc(n1)NC 271570a_100011290941_100011649947 [1,0,0,0,0,0|3,0,0]=4 1130 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [1,0,0,0,0,0|2,0,0]=3 1131 B10R1.172 C=Cc1nccc(n1)SC 271570a_100011290941_100011650323 [1,0,0,0,0,0|2,1,0]=4 1132 B10R1.172 C=Cc1ncnc(n1)OC 271570a_100011290941_200010750123 [1,0,0,0,0,0|3,0,0]=4 1133 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [1,0,0,0,0,0|1,0,2]=4 1134 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [1,0,0,0,0,0|1,0,2]=4 1135 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [1,0,0,0,0,0|1,0,2]=4 1136 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [1,0,0,0,0,0|1,0,2]=4 1137 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [1,0,0,0,0,0|1,0,2]=4 1138 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [1,0,0,0,0,0|1,0,2]=4 1139 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [1,0,0,0,0,0|1,0,2]=4 1140 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [1,0,0,0,0,0|1,0,2]=4 1141 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [1,0,0,0,0,0|1,0,2]=4 1142 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [1,0,0,0,0,0|1,0,2]=4 1143 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [1,0,0,0,0,0|0,0,2]=3 1144 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [1,0,0,0,0,0|0,0,2]=3 1145 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [1,0,0,0,0,0|0,0,2]=3 1146 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [1,0,0,0,0,0|0,0,2]=3 1147 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [1,0,0,0,0,0|0,1,2]=4 1148 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [1,0,0,0,0,0|0,1,2]=4 1149 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [1,0,0,0,0,0|0,1,2]=4 1150 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [1,0,0,0,0,0|0,1,2]=4 1151 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [1,0,0,0,0,0|1,0,2]=4 1152 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [1,0,0,0,0,0|1,0,2]=4 1153 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [1,0,0,0,0,0|1,0,2]=4 1154 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [1,0,0,0,0,0|1,0,2]=4 1155 B10R1.172 CNc1cccc(c1)C#N 34a_100000210922_200000210301 [1,0,0,0,0,0|2,0,1]=4 1156 B10R1.172 CNc1cccc(c1)C#N 7a_100000210922_200000210301 [1,0,0,0,0,0|2,0,1]=4 1157 B10R1.172 CNc1cccc(c1)CF 2230a_100000126320_200000210301 [1,0,0,0,0,0|2,0,1]=4 1158 B10R1.172 CNc1cccc(c1)CF 34a_100000126320_200000210301 [1,0,0,0,0,0|2,0,1]=4 1159 B10R1.172 CNc1cccc(c1)CF 7a_100000126320_200000210301 [1,0,0,0,0,0|2,0,1]=4 1160 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [1,0,0,0,0,0|2,0,1]=4 1161 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [1,0,0,0,0,0|2,0,1]=4 1162 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [1,0,0,0,0,0|1,0,1]=3 1163 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [1,0,0,0,0,0|1,0,1]=3 1164 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [1,0,0,0,0,0|1,0,1]=3 1165 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [1,0,0,0,0,0|1,0,1]=3 1166 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [1,0,0,0,0,0|1,0,1]=3 1167 B10R1.172 CNc1cccc(c1)SC 2230a_100000210049_200000210301 [1,0,0,0,0,0|1,1,1]=4 1168 B10R1.172 CNc1cccc(c1)SC 34a_100000210049_200000210301 [1,0,0,0,0,0|1,1,1]=4 1169 B10R1.172 CNc1cccc(c1)SC 62a_100000219648_200000210301 [1,0,0,0,0,0|1,1,1]=4 1170 B10R1.172 CNc1cccc(c1)SC 62a_200000210301_100000219648 [1,0,0,0,0,0|1,1,1]=4 1171 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_100000219648_200025704644 [1,0,0,0,0,0|1,1,1]=4 1172 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_200025704644_100000219648 [1,0,0,0,0,0|1,1,1]=4 1173 B10R1.172 COc1cc(ccn1)CN 34a_100000748557_200000210301 [1,0,0,0,0,0|2,0,1]=4 1174 B10R1.172 COc1cc(ccn1)O[13CH3] 34a_100012181050_200025704644 [1,0,0,0,0,0|2,0,1]=4 1175 B10R1.172 COc1cc(ccn1)SC 62a_100000117307_200000210301 [1,0,0,0,0,0|2,0,1]=4 1176 B10R1.172 COc1cc(ccn1)SC 62a_200000210301_100000117307 [1,0,0,0,0,0|2,0,1]=4 1177 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_100000117307_200025704644 [1,0,0,0,0,0|2,0,1]=4 1178 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_200025704644_100000117307 [1,0,0,0,0,0|2,0,1]=4 1179 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [1,0,0,0,0,0|1,0,1]=3 1180 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [1,0,0,0,0,0|1,0,1]=3 1181 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [1,0,0,0,0,0|1,0,1]=3 1182 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [1,0,0,0,0,0|1,0,1]=3 1183 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [1,0,0,0,0,0|1,0,1]=3 1184 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [1,0,0,0,0,0|1,0,1]=3 1185 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [1,0,0,0,0,0|1,0,1]=3 1186 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [1,0,0,0,0,0|1,0,1]=3 1187 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [1,0,0,0,0,0|1,0,1]=3 1188 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [1,0,0,0,0,0|1,0,1]=3 1189 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [1,0,0,0,0,0|1,0,1]=3 1190 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [1,0,0,0,0,0|1,0,1]=3 1191 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [1,0,0,0,0,0|1,0,1]=3 1192 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [1,0,0,0,0,0|1,0,1]=3 1193 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [1,0,0,0,0,0|1,0,1]=3 1194 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [1,0,0,0,0,0|1,0,1]=3 1195 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [1,0,0,0,0,0|1,0,1]=3 1196 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [1,0,0,0,0,0|1,0,1]=3 1197 B10R1.172 COc1cccc(n1)SC 62a_100000760917_200000210301 [1,0,0,0,0,0|2,0,1]=4 1198 B10R1.172 COc1cccc(n1)SC 62a_200000210301_100000760917 [1,0,0,0,0,0|2,0,1]=4 1199 B10R1.172 COc1cccc(n1)S[13CH3] 62a_100000760917_200025704644 [1,0,0,0,0,0|2,0,1]=4 1200 B10R1.172 COc1cccc(n1)S[13CH3] 62a_200025704644_100000760917 [1,0,0,0,0,0|2,0,1]=4 1201 B10R1.172 COc1ccnc(c1)C#N 34a_100011777083_200000210301 [1,0,0,0,0,0|2,0,1]=4 1202 B10R1.172 COc1ccnc(c1)C#N 7a_100011777083_200000210301 [1,0,0,0,0,0|2,0,1]=4 1203 B10R1.172 COc1ccnc(c1)OC 34a_100012181050_200000210301 [1,0,0,0,0,0|2,0,1]=4 1204 B10R1.172 COc1ccnc(c1)SC 62a_100009817693_200000210301 [1,0,0,0,0,0|2,0,1]=4 1205 B10R1.172 COc1ccnc(c1)SC 62a_200000210301_100011216251 [1,0,0,0,0,0|2,0,1]=4 1206 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_100009817693_200025704644 [1,0,0,0,0,0|2,0,1]=4 1207 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_200025704644_100011216251 [1,0,0,0,0,0|2,0,1]=4 1208 B10R1.172 COc1cncc(c1)C#N 34a_100012002025_200000210301 [1,0,0,0,0,0|2,0,1]=4 1209 B10R1.172 COc1cncc(c1)C#N 7a_100012002025_200000210301 [1,0,0,0,0,0|2,0,1]=4 1210 B10R1.172 COc1cncc(c1)OC 34a_100000084572_200000210301 [1,0,0,0,0,0|2,0,1]=4 1211 B10R1.172 COc1cncc(c1)OC 7a_100000084572_200000210301 [1,0,0,0,0,0|2,0,1]=4 1212 B10R1.172 COc1cncc(c1)O[13CH3] 34a_100000084572_200025704644 [1,0,0,0,0,0|2,0,1]=4 1213 B10R1.172 COc1cncc(c1)O[13CH3] 7a_100000084572_200025704644 [1,0,0,0,0,0|2,0,1]=4 1214 B10R1.172 COc1cncc(c1)SC 62a_100000050176_200000210301 [1,0,0,0,0,0|2,0,1]=4 1215 B10R1.172 COc1cncc(c1)SC 62a_200000210301_100000050176 [1,0,0,0,0,0|2,0,1]=4 1216 B10R1.172 COc1cncc(c1)S[13CH3] 62a_100000050176_200025704644 [1,0,0,0,0,0|2,0,1]=4 1217 B10R1.172 COc1cncc(c1)S[13CH3] 62a_200025704644_100000050176 [1,0,0,0,0,0|2,0,1]=4 1218 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [1,0,0,0,0,0|2,1,0]=4 1219 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [1,0,0,0,0,0|2,1,0]=4 1220 B10R1.172 CSc1cccc(c1)C#N 62a_200000210301_100000189340 [1,0,0,0,0,0|1,1,1]=4 1221 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [1,0,0,0,0,0|1,1,0]=3 1222 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [1,0,0,0,0,0|1,1,0]=3 1223 B10R1.172 CSc1cccc(c1)CF 62a_100010878472_200000210301 [1,0,0,0,0,0|1,1,1]=4 1224 B10R1.172 CSc1cccc(c1)CF 62a_200000210301_100010878472 [1,0,0,0,0,0|1,1,1]=4 1225 B10R1.172 CSc1cccc(c1)CN 62a_100000106179_200000210301 [1,0,0,0,0,0|1,1,1]=4 1226 B10R1.172 CSc1cccc(c1)CN 62a_200000210301_100000106179 [1,0,0,0,0,0|1,1,1]=4 1227 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [1,0,0,0,0,0|1,1,1]=4 1228 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [1,0,0,0,0,0|1,1,1]=4 1229 B10R1.172 CSc1cccc(c1)NN 62a_100000217339_200000210301 [1,0,0,0,0,0|2,1,0]=4 1230 B10R1.172 CSc1cccc(c1)NN 62a_200000210301_100000217339 [1,0,0,0,0,0|2,1,0]=4 1231 B10R1.172 CSc1cccc(c1)N[13CH3] 2230a_100000210049_200025704644 [1,0,0,0,0,0|1,1,1]=4 1232 B10R1.172 CSc1cccc(c1)N[13CH3] 34a_100000210049_200025704644 [1,0,0,0,0,0|1,1,1]=4 1233 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [1,0,0,0,0,0|1,0,1]=3 1234 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [1,0,0,0,0,0|1,0,1]=3 1235 B10R1.172 CSc1cccc(c1)SC 62a_100011215954_200000210301 [1,0,0,0,0,0|1,1,1]=4 1236 B10R1.172 CSc1cccc(c1)SC 62a_200000210301_100011215954 [1,0,0,0,0,0|1,1,1]=4 1237 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_100011215954_200025704644 [1,0,0,0,0,0|1,1,1]=4 1238 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_200025704644_100011215954 [1,0,0,0,0,0|1,1,1]=4 1239 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [1,0,0,0,0,0|2,1,0]=4 1240 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [1,0,0,0,0,0|2,1,0]=4 1241 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [1,0,0,0,0,0|2,1,0]=4 1242 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [1,0,0,0,0,0|2,1,0]=4 1243 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [1,0,0,0,0,0|2,1,0]=4 1244 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [1,0,0,0,0,0|2,1,0]=4 1245 B10R1.172 [13CH3]Nc1cccc(c1)C#N 34a_100000210922_200025704644 [1,0,0,0,0,0|2,0,1]=4 1246 B10R1.172 [13CH3]Nc1cccc(c1)C#N 7a_100000210922_200025704644 [1,0,0,0,0,0|2,0,1]=4 1247 B10R1.172 [13CH3]Nc1cccc(c1)CF 2230a_100000126320_200025704644 [1,0,0,0,0,0|2,0,1]=4 1248 B10R1.172 [13CH3]Nc1cccc(c1)CF 34a_100000126320_200025704644 [1,0,0,0,0,0|2,0,1]=4 1249 B10R1.172 [13CH3]Nc1cccc(c1)CF 7a_100000126320_200025704644 [1,0,0,0,0,0|2,0,1]=4 1250 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [1,0,0,0,0,0|2,0,1]=4 1251 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [1,0,0,0,0,0|2,0,1]=4 1252 B10R1.172 [13CH3]Oc1cc(ccn1)CN 34a_100000748557_200025704644 [1,0,0,0,0,0|2,0,1]=4 1253 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [1,0,0,0,0,0|1,0,1]=3 1254 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [1,0,0,0,0,0|1,0,1]=3 1255 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [1,0,0,0,0,0|1,0,1]=3 1256 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [1,0,0,0,0,0|1,0,1]=3 1257 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [1,0,0,0,0,0|1,0,1]=3 1258 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [1,0,0,0,0,0|1,0,1]=3 1259 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [1,0,0,0,0,0|1,0,1]=3 1260 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [1,0,0,0,0,0|1,0,1]=3 1261 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [1,0,0,0,0,0|1,0,1]=3 1262 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 34a_100011777083_200025704644 [1,0,0,0,0,0|2,0,1]=4 1263 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 7a_100011777083_200025704644 [1,0,0,0,0,0|2,0,1]=4 1264 B10R1.172 [13CH3]Oc1cncc(c1)C#N 34a_100012002025_200025704644 [1,0,0,0,0,0|2,0,1]=4 1265 B10R1.172 [13CH3]Oc1cncc(c1)C#N 7a_100012002025_200025704644 [1,0,0,0,0,0|2,0,1]=4 1266 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [1,0,0,0,0,0|2,1,0]=4 1267 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [1,0,0,0,0,0|2,1,0]=4 1268 B10R1.172 [13CH3]Sc1cccc(c1)C#N 62a_200025704644_100000189340 [1,0,0,0,0,0|1,1,1]=4 1269 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [1,0,0,0,0,0|1,1,0]=3 1270 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [1,0,0,0,0,0|1,1,0]=3 1271 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_100010878472_200025704644 [1,0,0,0,0,0|1,1,1]=4 1272 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_200025704644_100010878472 [1,0,0,0,0,0|1,1,1]=4 1273 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_100000106179_200025704644 [1,0,0,0,0,0|1,1,1]=4 1274 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_200025704644_100000106179 [1,0,0,0,0,0|1,1,1]=4 1275 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [1,0,0,0,0,0|1,1,1]=4 1276 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [1,0,0,0,0,0|1,1,1]=4 1277 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_100000217339_200025704644 [1,0,0,0,0,0|2,1,0]=4 1278 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_200025704644_100000217339 [1,0,0,0,0,0|2,1,0]=4 1279 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [1,0,0,0,0,0|2,1,0]=4 1280 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [1,0,0,0,0,0|2,1,0]=4 1281 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [1,0,0,0,0,0|2,1,0]=4 1282 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [1,0,0,0,0,0|2,1,0]=4 1283 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [1,0,0,0,0,0|2,1,0]=4 1284 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [1,0,0,0,0,0|2,1,0]=4 1285 B10R1.176 C=Cc1c[nH]c(=O)c(c1)Br 271570a_100011290941_100010125443 [1,0,0,0,0,0|2,0,1]=4 1286 B10R1.176 C=Cc1c[nH]c(=O)c(c1)F 271570a_100011290941_100000723523 [1,0,0,0,0,0|2,0,1]=4 1287 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [1,0,0,0,0,0|1,0,1]=3 1288 B10R1.176 C=Cc1c[nH]c(=O)c(n1)C 271570a_100011290941_100010363809 [1,0,0,0,0,0|2,0,1]=4 1289 B10R1.176 C=Cc1cc(c(=O)[nH]n1)C 271570a_100011290941_100012187101 [1,0,0,0,0,0|2,0,1]=4 1290 B10R1.176 C=Cc1cc(c(cn1)Br)C 271570a_100011290941_100012356354 [1,0,0,0,0,0|2,0,0]=3 1291 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [1,0,0,0,0,0|2,0,0]=3 1292 B10R1.176 C=Cc1cc(c(cn1)C)F 271570a_100011290941_100009841206 [1,0,0,0,0,0|3,0,0]=4 1293 B10R1.176 C=Cc1cc(c(cn1)C)N 271570a_100011290941_100000690170 [1,0,0,0,0,0|3,0,0]=4 1294 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [1,0,0,0,0,0|2,0,0]=3 1295 B10R1.176 C=Cc1cc(c(cn1)F)C 271570a_100011290941_100009818257 [1,0,0,0,0,0|2,0,0]=3 1296 B10R1.176 C=Cc1cc(c(cn1)F)N 271570a_100011290941_100000126464 [1,0,0,0,0,0|3,0,0]=4 1297 B10R1.176 C=Cc1cc(c(cn1)F)O 271570a_100011290941_100009854642 [1,0,0,0,0,0|2,0,0]=3 1298 B10R1.176 C=Cc1cc(c(cn1)N)C 271570a_100011290941_100000765520 [1,0,0,0,0,0|2,0,0]=3 1299 B10R1.176 C=Cc1cc(c(cn1)N)N 271570a_100011290941_100000067514 [1,0,0,0,0,0|3,0,0]=4 1300 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [1,0,0,0,0,0|1,0,0]=2 1301 B10R1.176 C=Cc1cc(c(cn1)O)N 271570a_100011290941_100009819941 [1,0,0,0,0,0|2,0,0]=3 1302 B10R1.176 C=Cc1cc(c(nn1)N)C 271570a_100011290941_100153394926 [1,0,0,0,0,0|3,0,0]=4 1303 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [1,0,0,0,0,0|1,0,1]=3 1304 B10R1.176 C=Cc1ccc(=O)n(n1)C 271570a_100011290941_100009820752 [1,0,0,0,0,0|2,0,1]=4 1305 B10R1.176 C=Cc1ccc([n+](c1)[O-])C 271570a_100011290941_100000703231 [1,0,0,0,0,0|2,0,1]=4 1306 B10R1.176 C=Cc1ccc(c(=S)[nH]1)N 271570a_100011290941_100116329207 [1,0,0,0,0,0|2,1,0]=4 1307 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [1,0,0,0,0,0|2,0,0]=3 1308 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,0,0,0,0,0|2,0,0]=3 1309 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [1,0,0,0,0,0|2,0,0]=3 1310 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [1,0,0,0,0,0|2,0,0]=3 1311 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [1,0,0,0,0,0|2,0,0]=3 1312 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,0,0,0,0,0|1,0,0]=2 1313 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,0,0,0,0,0|1,0,0]=2 1314 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,0,0,0,0,0|1,0,0]=2 1315 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,0,0,0,0,0|1,0,0]=2 1316 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,0,0,0,0,0|1,0,0]=2 1317 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,0,0,0,0,0|1,0,0]=2 1318 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,0,0,0,0,0|0,0,0]=1 1319 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [1,0,0,0,0,0|2,0,0]=3 1320 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,0,0,0,0,0|2,0,0]=3 1321 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [1,0,0,0,0,0|2,0,0]=3 1322 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [1,0,0,0,0,0|2,0,0]=3 1323 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [1,0,0,0,0,0|2,0,0]=3 1324 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,0,0,0,0,0|1,0,0]=2 1325 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [1,0,0,0,0,0|2,0,0]=3 1326 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,0,0,0,0,0|2,0,0]=3 1327 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [1,0,0,0,0,0|2,0,0]=3 1328 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [1,0,0,0,0,0|2,0,0]=3 1329 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [1,0,0,0,0,0|2,0,0]=3 1330 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,0,0,0,0,0|1,0,0]=2 1331 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,0,0,0,0,0|2,0,0]=3 1332 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,0,0,0,0,0|2,0,0]=3 1333 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,0,0,0,0,0|2,0,0]=3 1334 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,0,0,0,0,0|2,0,0]=3 1335 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,0,0,0,0,0|2,0,0]=3 1336 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,0,0,0,0,0|1,0,0]=2 1337 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,0,0,0,0,0|1,0,0]=2 1338 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,0,0,0,0,0|1,0,0]=2 1339 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,0,0,0,0,0|1,0,0]=2 1340 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,0,0,0,0,0|1,0,0]=2 1341 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,0,0,0,0,0|1,0,0]=2 1342 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,0,0,0,0,0|0,0,0]=1 1343 B10R1.176 C=Cc1ccc(c(n1)Br)O 271570a_100011290941_100000725334 [1,0,0,0,0,0|2,0,0]=3 1344 B10R1.176 C=Cc1ccc(c(n1)C)Br 271570a_100011290941_100012360386 [1,0,0,0,0,0|2,0,0]=3 1345 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [1,0,0,0,0,0|2,0,0]=3 1346 B10R1.176 C=Cc1ccc(c(n1)C)F 271570a_100011290941_100009814307 [1,0,0,0,0,0|2,0,0]=3 1347 B10R1.176 C=Cc1ccc(c(n1)C)N 271570a_100011290941_100000760127 [1,0,0,0,0,0|2,0,0]=3 1348 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [1,0,0,0,0,0|1,0,0]=2 1349 B10R1.176 C=Cc1ccc(c(n1)Cl)N 271570a_100011290941_200010233646 [1,0,0,0,0,0|3,0,0]=4 1350 B10R1.176 C=Cc1ccc(c(n1)Cl)O 271570a_100011290941_100000721234 [1,0,0,0,0,0|2,0,0]=3 1351 B10R1.176 C=Cc1ccc(c(n1)F)Br 271570a_100011290941_100010134343 [1,0,0,0,0,0|3,0,0]=4 1352 B10R1.176 C=Cc1ccc(c(n1)F)N 271570a_100011290941_100009856439 [1,0,0,0,0,0|3,0,0]=4 1353 B10R1.176 C=Cc1ccc(c(n1)F)O 271570a_100011290941_100009819667 [1,0,0,0,0,0|2,0,0]=3 1354 B10R1.176 C=Cc1ccc(c(n1)N)C 271570a_100011290941_100009857032 [1,0,0,0,0,0|3,0,0]=4 1355 B10R1.176 C=Cc1ccc(c(n1)N)F 271570a_100011290941_100016091773 [1,0,0,0,0,0|3,0,0]=4 1356 B10R1.176 C=Cc1ccc(c(n1)N)N 271570a_100011290941_100000747239 [1,0,0,0,0,0|3,0,0]=4 1357 B10R1.176 C=Cc1ccc(c(n1)N)O 271570a_100011290941_100000685527 [1,0,0,0,0,0|2,0,0]=3 1358 B10R1.176 C=Cc1ccc(c(n1)O)F 271570a_100011290941_100010729010 [1,0,0,0,0,0|2,0,0]=3 1359 B10R1.176 C=Cc1ccc(c(n1)O)N 271570a_100011290941_100000718904 [1,0,0,0,0,0|2,0,0]=3 1360 B10R1.176 C=Cc1ccn(c(=O)c1)C 271570a_100011290941_100009820031 [1,0,0,0,0,0|2,0,1]=4 1361 B10R1.176 C=Cc1cn(c(=O)cn1)C 271570a_100011290941_100009843036 [1,0,0,0,0,0|2,0,1]=4 1362 B10R1.176 C=Cc1cnc(=O)n(c1)C 271570a_100011290941_100009819886 [1,0,0,0,0,0|2,0,1]=4 1363 B10R1.176 C=Cc1cnc(c(c1)Br)Cl 271570a_100011290941_100010172733 [1,0,0,0,0,0|3,0,0]=4 1364 B10R1.176 C=Cc1cnc(c(c1)Br)N 271570a_100011290941_100012353989 [1,0,0,0,0,0|3,0,0]=4 1365 B10R1.176 C=Cc1cnc(c(c1)C)Br 271570a_100011290941_100009816107 [1,0,0,0,0,0|2,0,0]=3 1366 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [1,0,0,0,0,0|2,0,0]=3 1367 B10R1.176 C=Cc1cnc(c(c1)C)Cl 271570a_100011290941_100009922867 [1,0,0,0,0,0|2,0,0]=3 1368 B10R1.176 C=Cc1cnc(c(c1)C)F 271570a_100011290941_100000709442 [1,0,0,0,0,0|2,0,0]=3 1369 B10R1.176 C=Cc1cnc(c(c1)C)N 271570a_100011290941_100000186686 [1,0,0,0,0,0|2,0,0]=3 1370 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [1,0,0,0,0,0|1,0,0]=2 1371 B10R1.176 C=Cc1cnc(c(c1)Cl)N 271570a_100011290941_100012356299 [1,0,0,0,0,0|3,0,0]=4 1372 B10R1.176 C=Cc1cnc(c(c1)Cl)O 271570a_100011290941_100010238531 [1,0,0,0,0,0|2,0,0]=3 1373 B10R1.176 C=Cc1cnc(c(c1)F)C 271570a_100011290941_100009845756 [1,0,0,0,0,0|3,0,0]=4 1374 B10R1.176 C=Cc1cnc(c(c1)F)F 271570a_100011290941_100009817721 [1,0,0,0,0,0|3,0,0]=4 1375 B10R1.176 C=Cc1cnc(c(c1)F)N 271570a_100011290941_100000693161 [1,0,0,0,0,0|3,0,0]=4 1376 B10R1.176 C=Cc1cnc(c(c1)N)C 271570a_100011290941_100011999542 [1,0,0,0,0,0|3,0,0]=4 1377 B10R1.176 C=Cc1cnc(c(c1)N)Cl 271570a_100011290941_100009828400 [1,0,0,0,0,0|3,0,0]=4 1378 B10R1.176 C=Cc1cnc(c(c1)N)F 271570a_100011290941_100009816798 [1,0,0,0,0,0|3,0,0]=4 1379 B10R1.176 C=Cc1cnc(c(c1)N)N 271570a_100011290941_100000184470 [1,0,0,0,0,0|3,0,0]=4 1380 B10R1.176 C=Cc1cnc(c(c1)N)O 271570a_100011290941_100000743729 [1,0,0,0,0,0|2,0,0]=3 1381 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [1,0,0,0,0,0|2,0,0]=3 1382 B10R1.176 C=Cc1cnc(c(c1)O)F 271570a_100011290941_100009819871 [1,0,0,0,0,0|2,0,0]=3 1383 B10R1.176 C=Cc1cnc(c(c1)O)N 271570a_100011290941_100009819042 [1,0,0,0,0,0|2,0,0]=3 1384 B10R1.176 C=Cc1cnc(c(n1)C)C 271570a_100011290941_100009878948 [1,0,0,0,0,0|3,0,0]=4 1385 B10R1.176 C=Cc1cnc(c(n1)C)N 271570a_100011290941_100009818571 [1,0,0,0,0,0|3,0,0]=4 1386 B10R1.176 C=Cc1ncc(c(n1)C)Cl 271570a_100011290941_100010174973 [1,0,0,0,0,0|3,0,0]=4 1387 B10R1.176 C=Cc1ncc(c(n1)C)F 271570a_100011290941_100015641512 [1,0,0,0,0,0|3,0,0]=4 1388 B10R1.176 C=Cc1ncc(c(n1)C)N 271570a_100011290941_100000123670 [1,0,0,0,0,0|3,0,0]=4 1389 B10R1.176 C=Cc1ncc(c(n1)O)F 271570a_100011290941_100011995740 [1,0,0,0,0,0|3,0,0]=4 1390 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,0,0,0,0,0|1,0,2]=4 1391 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,0,0,0,0,0|1,0,2]=4 1392 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,0,0,0,0,0|1,0,2]=4 1393 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,0,0,0,0,0|1,0,2]=4 1394 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,0,0,0,0,0|0,0,2]=3 1395 B10R1.176 CNc1cc(c(cn1)O)C 271570a_203496583355_100012352278 [1,0,0,0,0,0|2,0,1]=4 1396 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,0,0,0,0,0|2,0,1]=4 1397 B10R1.176 CNc1ccc(c(c1)C)Br 2230a_100000210723_200000210301 [1,0,0,0,0,0|2,0,1]=4 1398 B10R1.176 CNc1ccc(c(c1)C)Br 34a_100000210723_200000210301 [1,0,0,0,0,0|2,0,1]=4 1399 B10R1.176 CNc1ccc(c(c1)C)Br 7a_100000210723_200000210301 [1,0,0,0,0,0|2,0,1]=4 1400 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [1,0,0,0,0,0|2,0,1]=4 1401 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [1,0,0,0,0,0|2,0,1]=4 1402 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [1,0,0,0,0,0|2,0,1]=4 1403 B10R1.176 CNc1ccc(c(c1)C)Cl 2230a_100000187808_200000210301 [1,0,0,0,0,0|2,0,1]=4 1404 B10R1.176 CNc1ccc(c(c1)C)Cl 34a_100000187808_200000210301 [1,0,0,0,0,0|2,0,1]=4 1405 B10R1.176 CNc1ccc(c(c1)C)Cl 7a_100000187808_200000210301 [1,0,0,0,0,0|2,0,1]=4 1406 B10R1.176 CNc1ccc(c(c1)C)F 2230a_100000750164_200000210301 [1,0,0,0,0,0|2,0,1]=4 1407 B10R1.176 CNc1ccc(c(c1)C)F 34a_100000750164_200000210301 [1,0,0,0,0,0|2,0,1]=4 1408 B10R1.176 CNc1ccc(c(c1)C)F 7a_100000750164_200000210301 [1,0,0,0,0,0|2,0,1]=4 1409 B10R1.176 CNc1ccc(c(c1)C)I 34a_100000198070_200000210301 [1,0,0,0,0,0|2,0,1]=4 1410 B10R1.176 CNc1ccc(c(c1)C)I 7a_100000198070_200000210301 [1,0,0,0,0,0|2,0,1]=4 1411 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,0,0,0,0,0|1,0,1]=3 1412 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,0,0,0,0,0|1,0,1]=3 1413 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,0,0,0,0,0|1,0,1]=3 1414 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,0,0,0,0,0|2,0,1]=4 1415 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,0,0,0,0,0|2,0,1]=4 1416 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,0,0,0,0,0|2,0,1]=4 1417 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,0,0,0,0,0|2,0,1]=4 1418 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,0,0,0,0,0|2,0,1]=4 1419 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,0,0,0,0,0|2,0,1]=4 1420 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,0,0,0,0,0|2,0,1]=4 1421 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,0,0,0,0,0|2,0,1]=4 1422 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,0,0,0,0,0|2,0,1]=4 1423 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,0,0,0,0,0|2,0,1]=4 1424 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,0,0,0,0,0|1,0,1]=3 1425 B10R1.176 COc1cc(c(cn1)O)C 271570a_203496583355_100011934368 [1,0,0,0,0,0|2,0,1]=4 1426 B10R1.176 COc1cc(c(cn1)O)O 271570a_203496583355_100010738159 [1,0,0,0,0,0|2,0,1]=4 1427 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,0,0,0,0,0|2,0,1]=4 1428 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [1,0,0,0,0,0|2,0,1]=4 1429 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [1,0,0,0,0,0|2,0,1]=4 1430 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [1,0,0,0,0,0|2,0,1]=4 1431 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [1,0,0,0,0,0|2,0,1]=4 1432 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [1,0,0,0,0,0|2,0,1]=4 1433 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [1,0,0,0,0,0|2,0,1]=4 1434 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [1,0,0,0,0,0|2,0,1]=4 1435 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [1,0,0,0,0,0|2,0,1]=4 1436 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [1,0,0,0,0,0|2,0,1]=4 1437 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [1,0,0,0,0,0|2,0,1]=4 1438 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [1,0,0,0,0,0|2,0,1]=4 1439 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [1,0,0,0,0,0|2,0,1]=4 1440 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,0,0,0,0,0|1,0,1]=3 1441 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,0,0,0,0,0|2,0,1]=4 1442 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,0,0,0,0,0|2,0,1]=4 1443 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,0,0,0,0,0|2,0,1]=4 1444 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,0,0,0,0,0|2,0,1]=4 1445 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,0,0,0,0,0|2,0,1]=4 1446 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,0,0,0,0,0|2,0,1]=4 1447 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,0,0,0,0,0|2,0,1]=4 1448 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,0,0,0,0,0|1,0,1]=3 1449 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,0,0,0,0,0|1,0,1]=3 1450 B10R1.176 COc1ccc(c(n1)C)O 271570a_203496583355_100000766551 [1,0,0,0,0,0|2,0,1]=4 1451 B10R1.176 COc1cnc(c(c1)C)O 271570a_203496583355_200009851512 [1,0,0,0,0,0|2,0,1]=4 1452 B10R1.176 CSc1cc(c(cn1)O)C 62a_200000210301_100000692680 [1,0,0,0,0,0|2,0,1]=4 1453 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,0,0,0,0,0|2,0,1]=4 1454 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,0,0,0,0,0|2,0,1]=4 1455 B10R1.176 CSc1ccc(c(c1)C)Br 62a_100009813585_200000210301 [1,0,0,0,0,0|2,0,1]=4 1456 B10R1.176 CSc1ccc(c(c1)C)Br 62a_200000210301_100009813585 [1,0,0,0,0,0|2,0,1]=4 1457 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [1,0,0,0,0,0|2,0,1]=4 1458 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [1,0,0,0,0,0|2,0,1]=4 1459 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_100000049509_200000210301 [1,0,0,0,0,0|2,0,1]=4 1460 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_200000210301_100000049509 [1,0,0,0,0,0|2,0,1]=4 1461 B10R1.176 CSc1ccc(c(c1)C)F 62a_100011218330_200000210301 [1,0,0,0,0,0|2,0,1]=4 1462 B10R1.176 CSc1ccc(c(c1)C)F 62a_200000210301_100011218330 [1,0,0,0,0,0|2,0,1]=4 1463 B10R1.176 CSc1ccc(c(c1)C)N 62a_100000211769_200000210301 [1,0,0,0,0,0|2,0,1]=4 1464 B10R1.176 CSc1ccc(c(c1)C)N 62a_200000210301_100000211769 [1,0,0,0,0,0|2,0,1]=4 1465 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,0,0,0,0,0|1,0,1]=3 1466 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,0,0,0,0,0|2,0,1]=4 1467 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,0,0,0,0,0|2,0,1]=4 1468 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,0,0,0,0,0|2,0,1]=4 1469 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,0,0,0,0,0|2,0,1]=4 1470 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,0,0,0,0,0|2,0,1]=4 1471 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,0,0,0,0,0|2,0,1]=4 1472 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,0,0,0,0,0|2,0,1]=4 1473 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,0,0,0,0,0|2,0,1]=4 1474 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,0,0,0,0,0|2,0,1]=4 1475 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,0,0,0,0,0|2,0,1]=4 1476 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,0,0,0,0,0|2,0,1]=4 1477 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,0,0,0,0,0|2,0,1]=4 1478 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,0,0,0,0,0|2,0,1]=4 1479 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,0,0,0,0,0|2,0,1]=4 1480 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,0,0,0,0,0|2,0,1]=4 1481 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,0,0,0,0,0|2,0,1]=4 1482 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,0,0,0,0,0|2,0,1]=4 1483 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,0,0,0,0,0|2,0,1]=4 1484 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,0,0,0,0,0|1,0,1]=3 1485 B10R1.176 CSc1ccc(c(n1)C)O 62a_100010233687_200000210301 [1,0,0,0,0,0|2,0,1]=4 1486 B10R1.176 CSc1ccc(c(n1)C)O 62a_200000210301_100010233687 [1,0,0,0,0,0|2,0,1]=4 1487 B10R1.176 CSc1cnc(c(c1)C)O 271570a_203496583355_203440288091 [1,0,0,0,0,0|2,0,1]=4 1488 B10R1.176 CSc1cnc(c(c1)C)O 62a_100000685391_200000210301 [1,0,0,0,0,0|2,0,1]=4 1489 B10R1.176 CSc1cnc(c(c1)C)O 62a_200000210301_100000685391 [1,0,0,0,0,0|2,0,1]=4 1490 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 2230a_100000210723_200025704644 [1,0,0,0,0,0|2,0,1]=4 1491 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 34a_100000210723_200025704644 [1,0,0,0,0,0|2,0,1]=4 1492 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 7a_100000210723_200025704644 [1,0,0,0,0,0|2,0,1]=4 1493 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [1,0,0,0,0,0|2,0,1]=4 1494 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [1,0,0,0,0,0|2,0,1]=4 1495 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_100009813585_200025704644 [1,0,0,0,0,0|2,0,1]=4 1496 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_200025704644_100009813585 [1,0,0,0,0,0|2,0,1]=4 1497 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 2230a_100000187808_200025704644 [1,0,0,0,0,0|2,0,1]=4 1498 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 34a_100000187808_200025704644 [1,0,0,0,0,0|2,0,1]=4 1499 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 7a_100000187808_200025704644 [1,0,0,0,0,0|2,0,1]=4 1500 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [1,0,0,0,0,0|2,0,1]=4 1501 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [1,0,0,0,0,0|2,0,1]=4 1502 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_100000049509_200025704644 [1,0,0,0,0,0|2,0,1]=4 1503 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100000049509 [1,0,0,0,0,0|2,0,1]=4 1504 B10R1.176 Cc1cc(ccc1F)N[13CH3] 2230a_100000750164_200025704644 [1,0,0,0,0,0|2,0,1]=4 1505 B10R1.176 Cc1cc(ccc1F)N[13CH3] 34a_100000750164_200025704644 [1,0,0,0,0,0|2,0,1]=4 1506 B10R1.176 Cc1cc(ccc1F)N[13CH3] 7a_100000750164_200025704644 [1,0,0,0,0,0|2,0,1]=4 1507 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [1,0,0,0,0,0|2,0,1]=4 1508 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [1,0,0,0,0,0|2,0,1]=4 1509 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_100011218330_200025704644 [1,0,0,0,0,0|2,0,1]=4 1510 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100011218330 [1,0,0,0,0,0|2,0,1]=4 1511 B10R1.176 Cc1cc(ccc1I)N[13CH3] 34a_100000198070_200025704644 [1,0,0,0,0,0|2,0,1]=4 1512 B10R1.176 Cc1cc(ccc1I)N[13CH3] 7a_100000198070_200025704644 [1,0,0,0,0,0|2,0,1]=4 1513 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [1,0,0,0,0,0|2,0,1]=4 1514 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [1,0,0,0,0,0|2,0,1]=4 1515 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [1,0,0,0,0,0|2,0,1]=4 1516 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [1,0,0,0,0,0|2,0,1]=4 1517 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_100000211769_200025704644 [1,0,0,0,0,0|2,0,1]=4 1518 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_200025704644_100000211769 [1,0,0,0,0,0|2,0,1]=4 1519 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,0,0,0,0,0|1,0,1]=3 1520 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,0,0,0,0,0|1,0,0]=2 1521 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,0,0,0,0,0|1,0,1]=3 1522 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,0,0,0,0,0|1,0,1]=3 1523 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,0,0,0,0,0|2,0,0]=3 1524 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,0,0,0,0,0|1,0,1]=3 1525 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,0,0,0,0,0|1,0,1]=3 1526 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,0,0,0,0,0|1,0,1]=3 1527 B10R1.176 Cc1cc(cnc1O)C#N 271570a_203496583355_100000719225 [1,0,0,0,0,0|2,0,1]=4 1528 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,0,0,0,0,0|2,0,0]=3 1529 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [1,0,0,0,0,0|2,0,1]=4 1530 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_100000685391_200025704644 [1,0,0,0,0,0|2,0,1]=4 1531 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_200025704644_100000685391 [1,0,0,0,0,0|2,0,1]=4 1532 B10R1.176 Cc1cc(ncc1O)C#N 271570a_203496583355_100009818022 [1,0,0,0,0,0|2,0,1]=4 1533 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,0,0,0,0,0|2,0,0]=3 1534 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [1,0,0,0,0,0|2,0,1]=4 1535 B10R1.176 Cc1cc(ncc1O)NN 271570a_203496583355_100012357568 [1,0,0,0,0,0|3,0,0]=4 1536 B10R1.176 Cc1cc(ncc1O)S[13CH3] 62a_200025704644_100000692680 [1,0,0,0,0,0|2,0,1]=4 1537 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [1,0,0,0,0,0|2,0,1]=4 1538 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [1,0,0,0,0,0|2,0,1]=4 1539 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [1,0,0,0,0,0|2,0,1]=4 1540 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [1,0,0,0,0,0|2,0,1]=4 1541 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [1,0,0,0,0,0|2,0,1]=4 1542 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [1,0,0,0,0,0|2,0,1]=4 1543 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [1,0,0,0,0,0|2,0,1]=4 1544 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,0,0,0,0,0|2,0,1]=4 1545 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,0,0,0,0,0|2,0,0]=3 1546 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,0,0,0,0,0|2,0,1]=4 1547 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,0,0,0,0,0|3,0,0]=4 1548 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,0,0,0,0,0|2,0,1]=4 1549 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,0,0,0,0,0|2,0,1]=4 1550 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,0,0,0,0,0|2,0,1]=4 1551 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,0,0,0,0,0|2,0,1]=4 1552 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,0,0,0,0,0|3,0,0]=4 1553 B10R1.176 Cc1nc(ccc1O)C#N 271570a_203496583355_100009884075 [1,0,0,0,0,0|2,0,1]=4 1554 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,0,0,0,0,0|2,0,0]=3 1555 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [1,0,0,0,0,0|2,0,1]=4 1556 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_100010233687_200025704644 [1,0,0,0,0,0|2,0,1]=4 1557 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_200025704644_100010233687 [1,0,0,0,0,0|2,0,1]=4 1558 B10R1.176 N#Cc1cc(c(cn1)O)O 271570a_203496583355_100016221821 [1,0,0,0,0,0|2,0,1]=4 1559 B10R1.176 N#Cc1ccc(c(c1)Br)O 271570a_203496583355_100012356348 [1,0,0,0,0,0|2,0,1]=4 1560 B10R1.176 N#Cc1ccc(c(c1)Cl)O 271570a_203496583355_100012349663 [1,0,0,0,0,0|2,0,1]=4 1561 B10R1.176 N#Cc1ccc(c(c1)F)O 271570a_203496583355_100011794375 [1,0,0,0,0,0|2,0,1]=4 1562 B10R1.176 N#Cc1ccc(c(c1)N)O 271570a_203496583355_100012001879 [1,0,0,0,0,0|2,0,1]=4 1563 B10R1.176 N#Cc1ccc(c(c1)O)Br 271570a_203496583355_100012349583 [1,0,0,0,0,0|2,0,1]=4 1564 B10R1.176 N#Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010199462 [1,0,0,0,0,0|2,0,1]=4 1565 B10R1.176 N#Cc1ccc(c(c1)O)F 271570a_203496583355_100000188605 [1,0,0,0,0,0|2,0,1]=4 1566 B10R1.176 N#Cc1ccc(c(c1)O)N 271570a_203496583355_100000736769 [1,0,0,0,0,0|2,0,1]=4 1567 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,0,0,0,0,0|1,0,1]=3 1568 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,0,0,0,0,0|1,0,1]=3 1569 B10R1.176 N#Cc1ccc(c(n1)O)O 271570a_203496583355_200011068624 [1,0,0,0,0,0|2,0,1]=4 1570 B10R1.176 N#Cc1cnc(c(c1)O)O 271570a_203496583355_100009819929 [1,0,0,0,0,0|2,0,1]=4 1571 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,0,0,0,0,0|2,0,1]=4 1572 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,0,0,0,0,0|2,0,1]=4 1573 B10R1.176 NNc1ccc(c(c1)F)O 271570a_203496583355_100016992936 [1,0,0,0,0,0|3,0,0]=4 1574 B10R1.176 NNc1ccc(c(c1)O)F 271570a_203496583355_200025705588 [1,0,0,0,0,0|3,0,0]=4 1575 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,0,0,0,0,0|2,0,1]=4 1576 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,0,0,0,0,0|3,0,0]=4 1577 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,0,0,0,0,0|2,0,0]=3 1578 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,0,0,0,0,0|2,0,0]=3 1579 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,0,0,0,0,0|2,0,0]=3 1580 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,0,0,0,0,0|2,0,0]=3 1581 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,0,0,0,0,0|1,0,0]=2 1582 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,0,0,0,0,0|1,0,0]=2 1583 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,0,0,0,0,0|3,0,0]=4 1584 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,0,0,0,0,0|2,0,0]=3 1585 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,0,0,0,0,0|2,0,1]=4 1586 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,0,0,0,0,0|2,0,1]=4 1587 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,0,0,0,0,0|2,0,1]=4 1588 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,0,0,0,0,0|1,0,1]=3 1589 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,0,0,0,0,0|1,0,1]=3 1590 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [1,0,0,0,0,0|2,0,1]=4 1591 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,0,0,0,0,0|2,0,1]=4 1592 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,0,0,0,0,0|2,0,1]=4 1593 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,0,0,0,0,0|2,0,1]=4 1594 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,0,0,0,0,0|2,0,1]=4 1595 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,0,0,0,0,0|2,0,1]=4 1596 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,0,0,0,0,0|2,0,1]=4 1597 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,0,0,0,0,0|2,0,1]=4 1598 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,0,0,0,0,0|1,0,1]=3 1599 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,0,0,0,0,0|2,0,1]=4 1600 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,0,0,0,0,0|2,0,1]=4 1601 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,0,0,0,0,0|2,0,1]=4 1602 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,0,0,0,0,0|2,0,1]=4 1603 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,0,0,0,0,0|2,0,1]=4 1604 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,0,0,0,0,0|2,0,1]=4 1605 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,0,0,0,0,0|2,0,1]=4 1606 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,0,0,0,0,0|2,0,1]=4 1607 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,0,0,0,0,0|2,0,1]=4 1608 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,0,0,0,0,0|2,0,1]=4 1609 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,0,0,0,0,0|2,0,1]=4 1610 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,0,0,0,0,0|2,0,1]=4 1611 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,0,0,0,0,0|2,0,1]=4 1612 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,0,0,0,0,0|2,0,1]=4 1613 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,0,0,0,0,0|2,0,1]=4 1614 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,0,0,0,0,0|2,0,1]=4 1615 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,0,0,0,0,0|1,0,1]=3 1616 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [0,1,0,0,0,0|1,0,1]=3 1617 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [0,1,0,0,0,0|2,0,0]=3 1618 B12R1.56 C=C(C)c1cc(c(cn1)F)OC 271570a_100000694244_200010136270 [0,1,0,0,0,0|2,0,0]=3 1619 B12R1.56 C=C(C)c1cc(c(cn1)N)OC 271570a_100000694244_100009887741 [0,1,0,0,0,0|2,0,0]=3 1620 B12R1.56 C=C(C)c1cc(c(nn1)N)OC 271570a_100000694244_100000688033 [0,1,0,0,0,0|3,0,0]=4 1621 B12R1.56 C=C(C)c1ccc(=O)n(c1)CC 271570a_100000694244_100000231005 [0,1,0,0,0,0|2,0,1]=4 1622 B12R1.56 C=C(C)c1ccc(c(c1)C#N)Br 271570a_100000694244_100012355174 [0,1,0,0,0,0|3,0,0]=4 1623 B12R1.56 C=C(C)c1ccc(c(c1)C#N)C 271570a_100000694244_100000698047 [0,1,0,0,0,0|3,0,0]=4 1624 B12R1.56 C=C(C)c1ccc(c(c1)C#N)Cl 271570a_100000694244_100011356831 [0,1,0,0,0,0|3,0,0]=4 1625 B12R1.56 C=C(C)c1ccc(c(c1)C#N)F 271570a_100000694244_100000037165 [0,1,0,0,0,0|3,0,0]=4 1626 B12R1.56 C=C(C)c1ccc(c(c1)C#N)N 271570a_100000694244_100000688460 [0,1,0,0,0,0|3,0,0]=4 1627 B12R1.56 C=C(C)c1ccc(c(c1)C#N)O 271570a_100000694244_100000687585 [0,1,0,0,0,0|2,0,0]=3 1628 B12R1.56 C=C(C)c1ccc(c(c1)C=O)Br 271570a_100000694244_100010185652 [0,1,0,0,0,0|3,0,0]=4 1629 B12R1.56 C=C(C)c1ccc(c(c1)C=O)C 271570a_100000694244_100011361606 [0,1,0,0,0,0|3,0,0]=4 1630 B12R1.56 C=C(C)c1ccc(c(c1)C=O)Cl 271570a_100000694244_100010254384 [0,1,0,0,0,0|3,0,0]=4 1631 B12R1.56 C=C(C)c1ccc(c(c1)C=O)F 271570a_100000694244_100000211465 [0,1,0,0,0,0|3,0,0]=4 1632 B12R1.56 C=C(C)c1ccc(c(c1)C=O)N 271570a_100000694244_100011935258 [0,1,0,0,0,0|3,0,0]=4 1633 B12R1.56 C=C(C)c1ccc(c(c1)C=O)O 271570a_100000694244_100000186750 [0,1,0,0,0,0|2,0,0]=3 1634 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [0,1,0,0,0,0|2,0,0]=3 1635 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [0,1,0,0,0,0|2,0,0]=3 1636 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [0,1,0,0,0,0|2,0,0]=3 1637 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,1,0,0,0,0|1,0,0]=2 1638 B12R1.56 C=C(C)c1ccc(c(c1)CN)F 271570a_100000694244_100009815772 [0,1,0,0,0,0|3,0,0]=4 1639 B12R1.56 C=C(C)c1ccc(c(c1)CN)N 271570a_100000694244_100012349119 [0,1,0,0,0,0|3,0,0]=4 1640 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [0,1,0,0,0,0|2,0,0]=3 1641 B12R1.56 C=C(C)c1ccc(c(c1)CO)Br 271570a_100000694244_100012359683 [0,1,0,0,0,0|3,0,0]=4 1642 B12R1.56 C=C(C)c1ccc(c(c1)CO)C 271570a_100000694244_100000700630 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.56 C=C(C)c1ccc(c(c1)CO)Cl 271570a_100000694244_100010128486 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.56 C=C(C)c1ccc(c(c1)CO)F 271570a_100000694244_100000049604 [0,1,0,0,0,0|3,0,0]=4 1645 B12R1.56 C=C(C)c1ccc(c(c1)CO)N 271570a_100000694244_100012353972 [0,1,0,0,0,0|3,0,0]=4 1646 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [0,1,0,0,0,0|2,0,0]=3 1647 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [0,1,0,0,0,0|2,0,0]=3 1648 B12R1.56 C=C(C)c1ccc(c(c1)NC)F 271570a_100000694244_100011314990 [0,1,0,0,0,0|2,0,0]=3 1649 B12R1.56 C=C(C)c1ccc(c(c1)NC)N 271570a_100000694244_100000694363 [0,1,0,0,0,0|2,0,0]=3 1650 B12R1.56 C=C(C)c1ccc(c(c1)NN)F 271570a_100000694244_100020610843 [0,1,0,0,0,0|3,0,0]=4 1651 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,1,0,0,0,0|1,0,0]=2 1652 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,1,0,0,0,0|1,0,0]=2 1653 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,1,0,0,0,0|1,0,0]=2 1654 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,1,0,0,0,0|1,0,0]=2 1655 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,1,0,0,0,0|1,0,0]=2 1656 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,1,0,0,0,0|0,0,0]=1 1657 B12R1.56 C=C(C)c1ccc(c(c1)SC)F 271570a_100000694244_100010341305 [0,1,0,0,0,0|1,1,0]=3 1658 B12R1.56 C=C(C)c1ccc(c(n1)CC)N 271570a_100000694244_100009871203 [0,1,0,0,0,0|3,0,0]=4 1659 B12R1.56 C=C(C)c1ccc(c(n1)OC)N 271570a_100000694244_100000687816 [0,1,0,0,0,0|2,0,0]=3 1660 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [0,1,0,0,0,0|1,0,0]=2 1661 B12R1.56 C=C(C)c1cnc(c(c1)C#N)O 271570a_100000694244_100000697733 [0,1,0,0,0,0|3,0,0]=4 1662 B12R1.56 C=C(C)c1cnc(c(c1)CO)O 271570a_100000694244_100010065268 [0,1,0,0,0,0|3,0,0]=4 1663 B12R1.56 C=C(C)c1cnc(c(c1)NC)N 271570a_100000694244_100010506235 [0,1,0,0,0,0|3,0,0]=4 1664 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [0,1,0,0,0,0|2,0,0]=3 1665 B12R1.56 C=C(C)c1cnc(c(c1)OC)F 271570a_100000694244_100010214931 [0,1,0,0,0,0|2,0,0]=3 1666 B12R1.56 C=C(C)c1cnc(c(c1)OC)N 271570a_100000694244_106354213024 [0,1,0,0,0,0|2,0,0]=3 1667 B12R1.56 C=C(C)c1cnc(c(n1)OC)N 271570a_100000694244_100009816943 [0,1,0,0,0,0|3,0,0]=4 1668 B12R1.56 C=C(C)c1cnc(c(n1)OC)O 271570a_100000694244_200010365344 [0,1,0,0,0,0|2,0,0]=3 1669 B12R1.56 C=C(C)c1ncc(c(n1)OC)C 271570a_100000694244_100012500371 [0,1,0,0,0,0|3,0,0]=4 1670 B12R1.56 C=C(C)c1ncc(c(n1)OC)F 271570a_100000694244_100012183945 [0,1,0,0,0,0|3,0,0]=4 1671 B12R1.56 C=C(C)c1ncc(c(n1)OC)N 271570a_100000694244_100012122185 [0,1,0,0,0,0|3,0,0]=4 1672 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,1,0,0,0,0|1,0,2]=4 1673 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,1,0,0,0,0|2,0,1]=4 1674 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,1,0,0,0,0|2,0,1]=4 1675 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,1,0,0,0,0|1,0,1]=3 1676 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,1,0,0,0,0|1,0,1]=3 1677 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,1,0,0,0,0|1,0,1]=3 1678 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,1,0,0,0,0|1,0,1]=3 1679 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,1,0,0,0,0|1,1,1]=4 1680 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,1,0,0,0,0|1,1,1]=4 1681 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,1,0,0,0,0|1,1,1]=4 1682 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,1,0,0,0,0|1,1,1]=4 1683 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,1,0,0,0,0|1,1,1]=4 1684 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,1,0,0,0,0|1,1,1]=4 1685 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,1,0,0,0,0|1,1,1]=4 1686 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,1,0,0,0,0|0,1,1]=3 1687 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 34a_200000187366_200025704644 [0,1,0,0,0,0|1,0,2]=4 1688 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 7a_200000187366_200025704644 [0,1,0,0,0,0|1,0,2]=4 1689 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,1,0,0,0,0|2,0,1]=4 1690 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,1,0,0,0,0|2,0,1]=4 1691 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,1,0,0,0,0|2,0,1]=4 1692 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,1,0,0,0,0|2,0,1]=4 1693 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,1,0,0,0,0|2,0,1]=4 1694 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,1,0,0,0,0|2,0,1]=4 1695 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,1,0,0,0,0|3,0,0]=4 1696 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,1,0,0,0,0|3,0,0]=4 1697 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,1,0,0,0,0|3,0,0]=4 1698 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,1,0,0,0,0|3,0,0]=4 1699 B12R1.56 CNc1cc(ccc1O)C(C)C 34a_200000187366_200000210301 [0,1,0,0,0,0|1,0,2]=4 1700 B12R1.56 CNc1cc(ccc1O)C(C)C 7a_200000187366_200000210301 [0,1,0,0,0,0|1,0,2]=4 1701 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|3,0,0]=4 1702 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,1,0,0,0,0|1,0,1]=3 1703 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,1,0,0,0,0|2,0,0]=3 1704 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,1,0,0,0,0|2,0,0]=3 1705 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,1,0,0,0,0|1,0,1]=3 1706 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,1,0,0,0,0|3,0,0]=4 1707 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,1,0,0,0,0|3,0,0]=4 1708 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,1,0,0,0,0|1,0,1]=3 1709 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,1,0,0,0,0|1,0,1]=3 1710 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,1,0,0,0,0|1,0,1]=3 1711 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,1,0,0,0,0|1,0,1]=3 1712 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [0,1,0,0,0,0|1,0,2]=4 1713 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [0,1,0,0,0,0|1,0,2]=4 1714 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,1,0,0,0,0|3,0,0]=4 1715 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,1,0,0,0,0|3,0,0]=4 1716 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,1,0,0,0,0|1,0,1]=3 1717 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,1,0,0,0,0|1,0,1]=3 1718 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,1,0,0,0,0|3,0,0]=4 1719 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,1,0,0,0,0|3,0,0]=4 1720 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,1,0,0,0,0|1,0,1]=3 1721 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,1,0,0,0,0|1,0,1]=3 1722 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,1,0,0,0,0|1,0,1]=3 1723 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,1,0,0,0,0|1,0,1]=3 1724 B12R1.56 COc1cc(ccc1F)N(C)C 2230a_200012002703_200000210301 [0,1,0,0,0,0|2,0,1]=4 1725 B12R1.56 COc1cc(ccc1F)N(C)C 269982a_200012002703_200000210301 [0,1,0,0,0,0|2,0,1]=4 1726 B12R1.56 COc1cc(ccc1F)N(C)C 34a_200012002703_200000210301 [0,1,0,0,0,0|2,0,1]=4 1727 B12R1.56 COc1cc(ccc1F)N(C)C 38a_200012002703_200000210301 [0,1,0,0,0,0|2,0,1]=4 1728 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 2230a_200012002703_200025704644 [0,1,0,0,0,0|2,0,1]=4 1729 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 269982a_200012002703_200025704644 [0,1,0,0,0,0|2,0,1]=4 1730 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 34a_200012002703_200025704644 [0,1,0,0,0,0|2,0,1]=4 1731 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 38a_200012002703_200025704644 [0,1,0,0,0,0|2,0,1]=4 1732 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,1,0,0,0,0|3,0,0]=4 1733 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,1,0,0,0,0|3,0,0]=4 1734 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,1,0,0,0,0|1,0,1]=3 1735 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,1,0,0,0,0|1,0,1]=3 1736 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,1,0,0,0,0|3,0,0]=4 1737 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,1,0,0,0,0|3,0,0]=4 1738 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,1,0,0,0,0|2,0,0]=3 1739 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,1,0,0,0,0|2,0,0]=3 1740 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,1,0,0,0,0|3,0,0]=4 1741 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,1,0,0,0,0|3,0,0]=4 1742 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,1,0,0,0,0|2,0,0]=3 1743 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,1,0,0,0,0|0,0,1]=2 1744 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,1,0,0,0,0|0,0,1]=2 1745 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,1,0,0,0,0|1,0,0]=2 1746 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,1,0,0,0,0|0,0,1]=2 1747 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,1,0,0,0,0|0,0,2]=3 1748 B12R1.56 COc1cc(cnc1O)B(O)O 271570a_203496583355_100009846025 [0,1,0,0,0,0|3,0,0]=4 1749 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,1,0,0,0,0|1,1,1]=4 1750 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,1,0,0,0,0|1,1,1]=4 1751 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,1,0,0,0,0|1,1,1]=4 1752 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,1,0,0,0,0|1,1,1]=4 1753 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,1,0,0,0,0|2,1,0]=4 1754 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,1,0,0,0,0|2,1,0]=4 1755 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,1,0,0,0,0|1,1,1]=4 1756 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,1,0,0,0,0|1,1,1]=4 1757 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,1,0,0,0,0|2,1,0]=4 1758 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,1,0,0,0,0|2,1,0]=4 1759 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,1,0,0,0,0|1,1,1]=4 1760 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,1,0,0,0,0|0,1,1]=3 1761 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,1,0,0,0,0|3,0,0]=4 1762 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,1,0,0,0,0|3,0,0]=4 1763 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [0,1,0,0,0,0|1,0,2]=4 1764 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [0,1,0,0,0,0|1,0,2]=4 1765 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,1,0,0,0,0|3,0,0]=4 1766 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,1,0,0,0,0|3,0,0]=4 1767 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,1,0,0,0,0|2,1,0]=4 1768 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,1,0,0,0,0|2,1,0]=4 1769 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,1,0,0,0,0|2,0,1]=4 1770 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,1,0,0,0,0|3,0,0]=4 1771 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,1,0,0,0,0|3,0,0]=4 1772 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|3,0,0]=4 1773 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,1,0,0,0,0|2,0,0]=3 1774 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,1,0,0,0,0|2,0,0]=3 1775 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,1,0,0,0,0|3,0,0]=4 1776 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,1,0,0,0,0|3,0,0]=4 1777 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,1,0,0,0,0|3,0,0]=4 1778 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,1,0,0,0,0|3,0,0]=4 1779 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,1,0,0,0,0|3,0,0]=4 1780 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,1,0,0,0,0|3,0,0]=4 1781 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,1,0,0,0,0|3,0,0]=4 1782 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,1,0,0,0,0|3,0,0]=4 1783 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,1,0,0,0,0|2,0,0]=3 1784 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,1,0,0,0,0|2,0,0]=3 1785 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,1,0,0,0,0|3,0,0]=4 1786 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,1,0,0,0,0|3,0,0]=4 1787 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,1,0,0,0,0|2,1,0]=4 1788 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,1,0,0,0,0|2,1,0]=4 1789 B12R1.78 C=Cc1cc(c(cn1)C#N)OC 271570a_100011290941_100009830018 [0,1,0,0,0,0|2,0,0]=3 1790 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [0,1,0,0,0,0|1,0,0]=2 1791 B12R1.78 C=Cc1cc(c(nn1)OC)OC 271570a_100011290941_200000095610 [0,1,0,0,0,0|2,0,0]=3 1792 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [0,1,0,0,0,0|2,0,1]=4 1793 B12R1.78 C=Cc1ccc(c(c1)C#N)C#N 271570a_100011290941_100000016123 [0,1,0,0,0,0|3,0,0]=4 1794 B12R1.78 C=Cc1ccc(c(c1)C#N)C=O 271570a_100011290941_100012001787 [0,1,0,0,0,0|2,0,1]=4 1795 B12R1.78 C=Cc1ccc(c(c1)C#N)NC 271570a_100011290941_100013037436 [0,1,0,0,0,0|3,0,0]=4 1796 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [0,1,0,0,0,0|2,0,0]=3 1797 B12R1.78 C=Cc1ccc(c(c1)C=O)C#N 271570a_100011290941_100010194279 [0,1,0,0,0,0|3,0,0]=4 1798 B12R1.78 C=Cc1ccc(c(c1)C=O)C=O 271570a_100011290941_200010077131 [0,1,0,0,0,0|2,0,1]=4 1799 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [0,1,0,0,0,0|2,0,0]=3 1800 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [0,1,0,0,0,0|1,0,1]=3 1801 B12R1.78 C=Cc1ccc(c(c1)CC)NN 271570a_100011290941_100000700371 [0,1,0,0,0,0|2,0,0]=3 1802 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [0,1,0,0,0,0|1,0,0]=2 1803 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [0,1,0,0,0,0|2,0,0]=3 1804 B12R1.78 C=Cc1ccc(c(c1)CO)CC 271570a_100011290941_100010766240 [0,1,0,0,0,0|3,0,0]=4 1805 B12R1.78 C=Cc1ccc(c(c1)CO)CO 271570a_100011290941_100000719600 [0,1,0,0,0,0|2,0,0]=3 1806 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [0,1,0,0,0,0|2,0,0]=3 1807 B12R1.78 C=Cc1ccc(c(c1)NC)C#N 271570a_100011290941_200012356631 [0,1,0,0,0,0|2,0,0]=3 1808 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [0,1,0,0,0,0|1,0,0]=2 1809 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [0,1,0,0,0,0|0,0,1]=2 1810 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [0,1,0,0,0,0|1,0,0]=2 1811 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [0,1,0,0,0,0|0,0,0]=1 1812 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,1,0,0,0,0|0,0,0]=1 1813 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,1,0,0,0,0|0,0,0]=1 1814 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,1,0,0,0,0|0,0,0]=1 1815 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [0,1,0,0,0,0|0,1,0]=2 1816 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [0,1,0,0,0,0|0,1,0]=2 1817 B12R1.78 C=Cc1ccc(c(n1)C#N)OC 271570a_100011290941_100011093937 [0,1,0,0,0,0|3,0,0]=4 1818 B12R1.78 C=Cc1ccc(c(n1)OC)C#N 271570a_100011290941_100000708423 [0,1,0,0,0,0|2,0,0]=3 1819 B12R1.78 C=Cc1ccc(c(n1)OC)C=O 271570a_100011290941_100009864722 [0,1,0,0,0,0|1,0,1]=3 1820 B12R1.78 C=Cc1ccc(c(n1)OC)CN 271570a_100011290941_100015687481 [0,1,0,0,0,0|2,0,0]=3 1821 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [0,1,0,0,0,0|1,0,0]=2 1822 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [0,1,0,0,0,0|1,0,0]=2 1823 B12R1.78 C=Cc1ccc(cc1OC)C#N 271570a_100011290941_100012356288 [0,1,0,0,0,0|2,0,1]=4 1824 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,1,0,0,0,0|2,0,0]=3 1825 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,1,0,0,0,0|1,0,2]=4 1826 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [0,1,0,0,0,0|2,0,1]=4 1827 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,1,0,0,0,0|2,0,1]=4 1828 B12R1.78 C=Cc1cnc(c(c1)C#N)OC 271570a_100011290941_100011935052 [0,1,0,0,0,0|3,0,0]=4 1829 B12R1.78 C=Cc1cnc(c(c1)C=O)OC 271570a_100011290941_100009814609 [0,1,0,0,0,0|3,0,0]=4 1830 B12R1.78 C=Cc1cnc(c(c1)CO)OC 271570a_100011290941_100000695684 [0,1,0,0,0,0|3,0,0]=4 1831 B12R1.78 C=Cc1cnc(c(c1)OC)C#N 271570a_100011290941_100000719880 [0,1,0,0,0,0|2,0,0]=3 1832 B12R1.78 C=Cc1cnc(c(c1)OC)C=O 271570a_100011290941_100010246152 [0,1,0,0,0,0|1,0,1]=3 1833 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [0,1,0,0,0,0|1,0,0]=2 1834 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [0,1,0,0,0,0|1,0,0]=2 1835 B12R1.78 C=Cc1cnc(c(n1)OC)OC 271570a_100011290941_100010132954 [0,1,0,0,0,0|2,0,0]=3 1836 B12R1.78 C=Cc1ncc(c(n1)OC)C#N 271570a_100011290941_100009870535 [0,1,0,0,0,0|3,0,0]=4 1837 B12R1.78 C=Cc1ncc(c(n1)OC)CO 271570a_100011290941_200011024631 [0,1,0,0,0,0|2,0,0]=3 1838 B12R1.78 C=Cc1ncc(c(n1)OC)OC 271570a_100011290941_100010280452 [0,1,0,0,0,0|2,0,0]=3 1839 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [0,1,0,0,0,0|2,0,1]=4 1840 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [0,1,0,0,0,0|2,0,1]=4 1841 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [0,1,0,0,0,0|2,0,1]=4 1842 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [0,1,0,0,0,0|2,0,1]=4 1843 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [0,1,0,0,0,0|1,0,2]=4 1844 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [0,1,0,0,0,0|1,0,2]=4 1845 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [0,1,0,0,0,0|1,0,2]=4 1846 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [0,1,0,0,0,0|1,0,2]=4 1847 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,1,0,0,0,0|0,0,2]=3 1848 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,1,0,0,0,0|0,0,2]=3 1849 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,1,0,0,0,0|0,0,2]=3 1850 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,1,0,0,0,0|0,0,2]=3 1851 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,1,0,0,0,0|0,0,2]=3 1852 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,1,0,0,0,0|0,0,2]=3 1853 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [0,1,0,0,0,0|0,1,2]=4 1854 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [0,1,0,0,0,0|0,1,2]=4 1855 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [0,1,0,0,0,0|0,1,2]=4 1856 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [0,1,0,0,0,0|0,1,2]=4 1857 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,1,0,0,0,0|0,0,2]=3 1858 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,1,0,0,0,0|0,0,2]=3 1859 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [0,1,0,0,0,0|0,1,2]=4 1860 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [0,1,0,0,0,0|0,1,2]=4 1861 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [0,1,0,0,0,0|0,1,2]=4 1862 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [0,1,0,0,0,0|0,1,2]=4 1863 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [0,1,0,0,0,0|2,0,1]=4 1864 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [0,1,0,0,0,0|2,0,1]=4 1865 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [0,1,0,0,0,0|2,0,1]=4 1866 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [0,1,0,0,0,0|2,0,1]=4 1867 B12R1.78 CNc1cc(ccc1CO)OC 34a_100011998734_200000210301 [0,1,0,0,0,0|2,0,1]=4 1868 B12R1.78 CNc1cc(ccc1OC)C#N 34a_100000747721_200000210301 [0,1,0,0,0,0|2,0,1]=4 1869 B12R1.78 CNc1cc(ccc1OC)C#N 7a_100000747721_200000210301 [0,1,0,0,0,0|2,0,1]=4 1870 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [0,1,0,0,0,0|2,0,1]=4 1871 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [0,1,0,0,0,0|2,0,1]=4 1872 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [0,1,0,0,0,0|2,0,1]=4 1873 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [0,1,0,0,0,0|2,0,1]=4 1874 B12R1.78 CNc1ccc(c(c1)OC)C#N 34a_100011999456_200000210301 [0,1,0,0,0,0|2,0,1]=4 1875 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [0,1,0,0,0,0|1,0,1]=3 1876 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [0,1,0,0,0,0|1,0,1]=3 1877 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [0,1,0,0,0,0|1,1,1]=4 1878 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [0,1,0,0,0,0|1,1,1]=4 1879 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [0,1,0,0,0,0|1,1,1]=4 1880 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [0,1,0,0,0,0|1,1,1]=4 1881 B12R1.78 CNc1ccc(cc1OC)C#N 34a_100000701993_200000210301 [0,1,0,0,0,0|2,0,1]=4 1882 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [0,1,0,0,0,0|2,0,1]=4 1883 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [0,1,0,0,0,0|2,0,1]=4 1884 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [0,1,0,0,0,0|2,0,1]=4 1885 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [0,1,0,0,0,0|2,0,1]=4 1886 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [0,1,0,0,0,0|2,0,1]=4 1887 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [0,1,0,0,0,0|2,0,1]=4 1888 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [0,1,0,0,0,0|2,1,0]=4 1889 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [0,1,0,0,0,0|2,1,0]=4 1890 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [0,1,0,0,0,0|2,1,0]=4 1891 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [0,1,0,0,0,0|2,1,0]=4 1892 B12R1.78 COc1cc(ccc1C#N)N[13CH3] 34a_100011999456_200025704644 [0,1,0,0,0,0|2,0,1]=4 1893 B12R1.78 COc1cc(ccc1C#N)SC 62a_200000210301_100000694671 [0,1,0,0,0,0|2,0,1]=4 1894 B12R1.78 COc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000694671 [0,1,0,0,0,0|2,0,1]=4 1895 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [0,1,0,0,0,0|1,0,2]=4 1896 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [0,1,0,0,0,0|1,0,2]=4 1897 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [0,1,0,0,0,0|1,0,2]=4 1898 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [0,1,0,0,0,0|1,0,2]=4 1899 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [0,1,0,0,0,0|1,0,1]=3 1900 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [0,1,0,0,0,0|1,0,1]=3 1901 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [0,1,0,0,0,0|1,0,1]=3 1902 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [0,1,0,0,0,0|1,0,1]=3 1903 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [0,1,0,0,0,0|1,0,1]=3 1904 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [0,1,0,0,0,0|1,0,1]=3 1905 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [0,1,0,0,0,0|1,0,1]=3 1906 B12R1.78 COc1cc(ccc1N[13CH3])C#N 34a_100000701993_200025704644 [0,1,0,0,0,0|2,0,1]=4 1907 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [0,1,0,0,0,0|2,0,1]=4 1908 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [0,1,0,0,0,0|2,0,1]=4 1909 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [0,1,0,0,0,0|2,0,1]=4 1910 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [0,1,0,0,0,0|2,0,1]=4 1911 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [0,1,0,0,0,0|1,0,1]=3 1912 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [0,1,0,0,0,0|1,0,1]=3 1913 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [0,1,0,0,0,0|1,0,1]=3 1914 B12R1.78 COc1cc(ccc1SC)C#N 62a_200000210301_100012356288 [0,1,0,0,0,0|1,1,1]=4 1915 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [0,1,0,0,0,0|1,1,0]=3 1916 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [0,1,0,0,0,0|1,1,0]=3 1917 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [0,1,0,0,0,0|1,1,1]=4 1918 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [0,1,0,0,0,0|1,1,1]=4 1919 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [0,1,0,0,0,0|1,1,1]=4 1920 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [0,1,0,0,0,0|1,1,1]=4 1921 B12R1.78 COc1cc(ccc1S[13CH3])C#N 62a_200025704644_100012356288 [0,1,0,0,0,0|1,1,1]=4 1922 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [0,1,0,0,0,0|1,1,0]=3 1923 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [0,1,0,0,0,0|1,1,0]=3 1924 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [0,1,0,0,0,0|1,1,1]=4 1925 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [0,1,0,0,0,0|1,1,1]=4 1926 B12R1.78 COc1cc(cnc1CO)SC 62a_200000210301_200010246159 [0,1,0,0,0,0|2,0,1]=4 1927 B12R1.78 COc1cc(cnc1CO)SC 62a_200010246159_200000210301 [0,1,0,0,0,0|2,0,1]=4 1928 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200010246159_200025704644 [0,1,0,0,0,0|2,0,1]=4 1929 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200025704644_200010246159 [0,1,0,0,0,0|2,0,1]=4 1930 B12R1.78 COc1cc(cnc1OC)SC 62a_200000210301_100010234541 [0,1,0,0,0,0|2,0,1]=4 1931 B12R1.78 COc1cc(cnc1OC)S[13CH3] 62a_200025704644_100010234541 [0,1,0,0,0,0|2,0,1]=4 1932 B12R1.78 COc1cc(ncc1CO)SC 62a_100010714672_200000210301 [0,1,0,0,0,0|2,0,1]=4 1933 B12R1.78 COc1cc(ncc1CO)SC 62a_200000210301_100010714672 [0,1,0,0,0,0|2,0,1]=4 1934 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_100010714672_200025704644 [0,1,0,0,0,0|2,0,1]=4 1935 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_200025704644_100010714672 [0,1,0,0,0,0|2,0,1]=4 1936 B12R1.78 COc1ccc(c(c1)N[13CH3])CO 34a_100011998734_200025704644 [0,1,0,0,0,0|2,0,1]=4 1937 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [0,1,0,0,0,0|2,0,1]=4 1938 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [0,1,0,0,0,0|2,0,1]=4 1939 B12R1.78 COc1ccc(c(c1)OC)C#N 34a_100011999188_200000210301 [0,1,0,0,0,0|2,0,1]=4 1940 B12R1.78 COc1ccc(c(c1)OC)C#N 7a_100011999188_200000210301 [0,1,0,0,0,0|2,0,1]=4 1941 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [0,1,0,0,0,0|1,0,1]=3 1942 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,1,0,0,0,0|1,0,2]=4 1943 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,1,0,0,0,0|1,0,2]=4 1944 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [0,1,0,0,0,0|2,0,1]=4 1945 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [0,1,0,0,0,0|2,0,1]=4 1946 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [0,1,0,0,0,0|1,0,1]=3 1947 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [0,1,0,0,0,0|1,0,1]=3 1948 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [0,1,0,0,0,0|1,0,1]=3 1949 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [0,1,0,0,0,0|1,0,1]=3 1950 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [0,1,0,0,0,0|1,1,1]=4 1951 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [0,1,0,0,0,0|1,1,1]=4 1952 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [0,1,0,0,0,0|1,1,1]=4 1953 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [0,1,0,0,0,0|1,1,1]=4 1954 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 34a_100011999188_200025704644 [0,1,0,0,0,0|2,0,1]=4 1955 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 7a_100011999188_200025704644 [0,1,0,0,0,0|2,0,1]=4 1956 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,1,0,0,0,0|1,0,2]=4 1957 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,1,0,0,0,0|1,0,2]=4 1958 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [0,1,0,0,0,0|1,0,1]=3 1959 B12R1.78 COc1ccc(c(c1)SC)CO 62a_100011982768_200000210301 [0,1,0,0,0,0|1,1,1]=4 1960 B12R1.78 COc1ccc(c(c1)SC)CO 62a_200000210301_100011982768 [0,1,0,0,0,0|1,1,1]=4 1961 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [0,1,0,0,0,0|1,1,1]=4 1962 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [0,1,0,0,0,0|1,1,1]=4 1963 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_100011982768_200025704644 [0,1,0,0,0,0|1,1,1]=4 1964 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_200025704644_100011982768 [0,1,0,0,0,0|1,1,1]=4 1965 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [0,1,0,0,0,0|1,1,1]=4 1966 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [0,1,0,0,0,0|1,1,1]=4 1967 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [0,1,0,0,0,0|2,0,1]=4 1968 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [0,1,0,0,0,0|2,0,1]=4 1969 B12R1.78 COc1ccc(cc1N[13CH3])C#N 34a_100000747721_200025704644 [0,1,0,0,0,0|2,0,1]=4 1970 B12R1.78 COc1ccc(cc1N[13CH3])C#N 7a_100000747721_200025704644 [0,1,0,0,0,0|2,0,1]=4 1971 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [0,1,0,0,0,0|2,0,1]=4 1972 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [0,1,0,0,0,0|2,0,1]=4 1973 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [0,1,0,0,0,0|1,0,1]=3 1974 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [0,1,0,0,0,0|1,0,1]=3 1975 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [0,1,0,0,0,0|1,0,1]=3 1976 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [0,1,0,0,0,0|1,0,1]=3 1977 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [0,1,0,0,0,0|1,0,1]=3 1978 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [0,1,0,0,0,0|1,0,1]=3 1979 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [0,1,0,0,0,0|1,0,1]=3 1980 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [0,1,0,0,0,0|1,0,1]=3 1981 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [0,1,0,0,0,0|1,0,1]=3 1982 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [0,1,0,0,0,0|1,0,1]=3 1983 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [0,1,0,0,0,0|1,0,1]=3 1984 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [0,1,0,0,0,0|1,0,1]=3 1985 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [0,1,0,0,0,0|1,0,1]=3 1986 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [0,1,0,0,0,0|1,0,1]=3 1987 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [0,1,0,0,0,0|1,0,1]=3 1988 B12R1.78 COc1ccc(cc1SC)C#N 62a_200000210301_100000188253 [0,1,0,0,0,0|1,1,1]=4 1989 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [0,1,0,0,0,0|1,1,0]=3 1990 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [0,1,0,0,0,0|1,1,0]=3 1991 B12R1.78 COc1ccc(cc1SC)CN 62a_100159240714_200000210301 [0,1,0,0,0,0|1,1,1]=4 1992 B12R1.78 COc1ccc(cc1SC)CN 62a_200000210301_100159240714 [0,1,0,0,0,0|1,1,1]=4 1993 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [0,1,0,0,0,0|1,1,1]=4 1994 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [0,1,0,0,0,0|1,1,1]=4 1995 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [0,1,0,0,0,0|1,1,1]=4 1996 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [0,1,0,0,0,0|1,1,1]=4 1997 B12R1.78 COc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000188253 [0,1,0,0,0,0|1,1,1]=4 1998 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [0,1,0,0,0,0|1,1,0]=3 1999 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [0,1,0,0,0,0|1,1,0]=3 2000 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_100159240714_200025704644 [0,1,0,0,0,0|1,1,1]=4 2001 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_200025704644_100159240714 [0,1,0,0,0,0|1,1,1]=4 2002 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [0,1,0,0,0,0|1,1,1]=4 2003 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [0,1,0,0,0,0|1,1,1]=4 2004 B12R1.78 COc1ccc(nc1OC)SC 62a_200000210301_100010214848 [0,1,0,0,0,0|2,0,1]=4 2005 B12R1.78 COc1ccc(nc1OC)S[13CH3] 62a_200025704644_100010214848 [0,1,0,0,0,0|2,0,1]=4 2006 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [0,1,0,0,0,0|2,1,0]=4 2007 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [0,1,0,0,0,0|2,1,0]=4 2008 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [0,1,0,0,0,0|2,1,0]=4 2009 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [0,1,0,0,0,0|2,1,0]=4 2010 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [0,1,0,0,0,0|2,1,0]=4 2011 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [0,1,0,0,0,0|2,1,0]=4 2012 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [0,1,0,0,0,0|2,1,0]=4 2013 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [0,1,0,0,0,0|2,1,0]=4 2014 B12R1.78 COc1nc(ccc1CO)SC 62a_100010988397_200000210301 [0,1,0,0,0,0|2,0,1]=4 2015 B12R1.78 COc1nc(ccc1CO)SC 62a_200000210301_100010988397 [0,1,0,0,0,0|2,0,1]=4 2016 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_100010988397_200025704644 [0,1,0,0,0,0|2,0,1]=4 2017 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_200025704644_100010988397 [0,1,0,0,0,0|2,0,1]=4 2018 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [0,1,0,0,0,0|2,1,0]=4 2019 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [0,1,0,0,0,0|2,1,0]=4 2020 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [0,1,0,0,0,0|2,1,0]=4 2021 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [0,1,0,0,0,0|2,1,0]=4 2022 B12R1.78 CSc1cc(ccc1C#N)C=O 62a_200000210301_100012355660 [0,1,0,0,0,0|2,1,0]=4 2023 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_100015597013_200000210301 [0,1,0,0,0,0|1,1,1]=4 2024 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_200000210301_100015597013 [0,1,0,0,0,0|1,1,1]=4 2025 B12R1.78 CSc1cc(ccc1CO)C#N 62a_200000210301_100010214422 [0,1,0,0,0,0|1,1,1]=4 2026 B12R1.78 CSc1cc(ccc1CO)CO 62a_100010881536_200000210301 [0,1,0,0,0,0|1,1,1]=4 2027 B12R1.78 CSc1cc(ccc1CO)CO 62a_200000210301_100010881536 [0,1,0,0,0,0|1,1,1]=4 2028 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [0,1,0,0,0,0|1,0,1]=3 2029 B12R1.78 [13CH3]Sc1cc(ccc1C#N)C=O 62a_200025704644_100012355660 [0,1,0,0,0,0|2,1,0]=4 2030 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_100015597013_200025704644 [0,1,0,0,0,0|1,1,1]=4 2031 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_200025704644_100015597013 [0,1,0,0,0,0|1,1,1]=4 2032 B12R1.78 [13CH3]Sc1cc(ccc1CO)C#N 62a_200025704644_100010214422 [0,1,0,0,0,0|1,1,1]=4 2033 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_100010881536_200025704644 [0,1,0,0,0,0|1,1,1]=4 2034 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_200025704644_100010881536 [0,1,0,0,0,0|1,1,1]=4 2035 B12R1.270 C=C=Cc1cc(ccc1O)C=O 271570a_100015277604_100000184552 [0,1,0,0,0,0|2,0,1]=4 2036 B12R1.270 C=Cc1cc(c(cn1)N)OCC 271570a_100011290941_100015764953 [0,1,0,0,0,0|2,0,0]=3 2037 B12R1.270 C=Cc1ccc(c(c1)CC#N)Br 271570a_100011290941_100010146707 [0,1,0,0,0,0|2,0,1]=4 2038 B12R1.270 C=Cc1ccc(c(c1)CC#N)C 271570a_100011290941_100010147029 [0,1,0,0,0,0|2,0,1]=4 2039 B12R1.270 C=Cc1ccc(c(c1)CC#N)F 271570a_100011290941_100000739769 [0,1,0,0,0,0|2,0,1]=4 2040 B12R1.270 C=Cc1ccc(c(c1)CC#N)N 271570a_100011290941_100010188562 [0,1,0,0,0,0|2,0,1]=4 2041 B12R1.270 C=Cc1ccc(c(c1)CNC)C 271570a_100011290941_106744473289 [0,1,0,0,0,0|2,0,0]=3 2042 B12R1.270 C=Cc1ccc(c(c1)CNC)F 271570a_100011290941_100000748472 [0,1,0,0,0,0|2,0,0]=3 2043 B12R1.270 C=Cc1ccc(c(c1)CNC)O 271570a_100011290941_100011602694 [0,1,0,0,0,0|1,0,0]=2 2044 B12R1.270 C=Cc1ccc(c(c1)COC)Br 271570a_100011290941_202125822959 [0,1,0,0,0,0|1,0,0]=2 2045 B12R1.270 C=Cc1ccc(c(c1)COC)F 271570a_100011290941_100010140362 [0,1,0,0,0,0|1,0,0]=2 2046 B12R1.270 C=Cc1ccc(c(c1)NCC)N 271570a_100011290941_100000696630 [0,1,0,0,0,0|2,0,0]=3 2047 B12R1.270 C=Cc1ccc(c(c1)OCC)C 271570a_100011290941_100012361169 [0,1,0,0,0,0|1,0,0]=2 2048 B12R1.270 C=Cc1ccc(c(c1)OCC)F 271570a_100011290941_200012344967 [0,1,0,0,0,0|1,0,0]=2 2049 B12R1.270 C=Cc1ccc(c(c1)OCC)N 271570a_100011290941_100000688918 [0,1,0,0,0,0|1,0,0]=2 2050 B12R1.270 C=Cc1cnc(c(c1)OCC)F 271570a_100011290941_100010732568 [0,1,0,0,0,0|2,0,0]=3 2051 B12R1.270 C=Cc1cnc(c(n1)OCC)N 271570a_100011290941_200010196039 [0,1,0,0,0,0|3,0,0]=4 2052 B12R1.270 CC=Cc1cc(ccc1Br)C=O 271570a_100016259895_100010146563 [0,1,0,0,0,0|3,0,0]=4 2053 B12R1.270 CC=Cc1cc(ccc1C)C=O 271570a_100016259895_100000695567 [0,1,0,0,0,0|3,0,0]=4 2054 B12R1.270 CC=Cc1cc(ccc1Cl)C=O 271570a_100016259895_100010209939 [0,1,0,0,0,0|3,0,0]=4 2055 B12R1.270 CC=Cc1cc(ccc1F)C=O 271570a_100016259895_100000211747 [0,1,0,0,0,0|3,0,0]=4 2056 B12R1.270 CC=Cc1cc(ccc1O)C#N 271570a_100016259895_100000725478 [0,1,0,0,0,0|2,0,1]=4 2057 B12R1.270 CC=Cc1cc(ccc1O)C=O 271570a_100016259895_100000184552 [0,1,0,0,0,0|2,0,0]=3 2058 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [0,1,0,0,0,0|1,0,2]=4 2059 B12R1.270 CC=Cc1cc(ccc1O)CO 271570a_100016259895_100011191544 [0,1,0,0,0,0|2,0,1]=4 2060 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [0,1,0,0,0,0|2,0,1]=4 2061 B12R1.270 CC=Cc1cc(cnc1O)C=O 271570a_100016259895_100010064886 [0,1,0,0,0,0|3,0,0]=4 2062 B12R1.270 CCNc1cc(ccc1O)C#N 34a_100000766272_100000210202 [0,1,0,0,0,0|2,0,1]=4 2063 B12R1.270 CCNc1cc(ccc1O)C#N 7a_100000766272_100000210202 [0,1,0,0,0,0|2,0,1]=4 2064 B12R1.270 CCNc1cc(ccc1O)CC 34a_100000765835_100000210202 [0,1,0,0,0,0|1,0,2]=4 2065 B12R1.270 CCNc1cc(ccc1O)CO 34a_100000123545_100000210202 [0,1,0,0,0,0|2,0,1]=4 2066 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [0,1,0,0,0,0|2,0,1]=4 2067 B12R1.270 CCOc1cc(ccc1Br)C#N 34a_100009877741_100000210202 [0,1,0,0,0,0|2,0,1]=4 2068 B12R1.270 CCOc1cc(ccc1Br)C#N 7a_100009877741_100000210202 [0,1,0,0,0,0|2,0,1]=4 2069 B12R1.270 CCOc1cc(ccc1Br)CO 34a_100010191536_100000210202 [0,1,0,0,0,0|2,0,1]=4 2070 B12R1.270 CCOc1cc(ccc1Br)CO 7a_100010191536_100000210202 [0,1,0,0,0,0|2,0,1]=4 2071 B12R1.270 CCOc1cc(ccc1Br)NC 2230a_200016990551_200000210301 [0,1,0,0,0,0|2,0,1]=4 2072 B12R1.270 CCOc1cc(ccc1Br)NC 34a_200016990551_200000210301 [0,1,0,0,0,0|2,0,1]=4 2073 B12R1.270 CCOc1cc(ccc1Br)NC 7a_200016990551_200000210301 [0,1,0,0,0,0|2,0,1]=4 2074 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 2230a_200016990551_200025704644 [0,1,0,0,0,0|2,0,1]=4 2075 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 34a_200016990551_200025704644 [0,1,0,0,0,0|2,0,1]=4 2076 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 7a_200016990551_200025704644 [0,1,0,0,0,0|2,0,1]=4 2077 B12R1.270 CCOc1cc(ccc1Br)OC 34a_100000719091_100000210202 [0,1,0,0,0,0|2,0,1]=4 2078 B12R1.270 CCOc1cc(ccc1Br)OC 7a_100000719091_100000210202 [0,1,0,0,0,0|2,0,1]=4 2079 B12R1.270 CCOc1cc(ccc1C)C#N 34a_100000765541_100000210202 [0,1,0,0,0,0|2,0,1]=4 2080 B12R1.270 CCOc1cc(ccc1C)C#N 7a_100000765541_100000210202 [0,1,0,0,0,0|2,0,1]=4 2081 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [0,1,0,0,0,0|2,0,1]=4 2082 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [0,1,0,0,0,0|2,0,1]=4 2083 B12R1.270 CCOc1cc(ccc1C)SC 62a_100012361169_200000210301 [0,1,0,0,0,0|2,0,1]=4 2084 B12R1.270 CCOc1cc(ccc1C)SC 62a_200000210301_100012361169 [0,1,0,0,0,0|2,0,1]=4 2085 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_100012361169_200025704644 [0,1,0,0,0,0|2,0,1]=4 2086 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_200025704644_100012361169 [0,1,0,0,0,0|2,0,1]=4 2087 B12R1.270 CCOc1cc(ccc1Cl)C#N 34a_100012186312_100000210202 [0,1,0,0,0,0|2,0,1]=4 2088 B12R1.270 CCOc1cc(ccc1Cl)C#N 7a_100012186312_100000210202 [0,1,0,0,0,0|2,0,1]=4 2089 B12R1.270 CCOc1cc(ccc1Cl)CN 34a_100020636435_100000210202 [0,1,0,0,0,0|2,0,1]=4 2090 B12R1.270 CCOc1cc(ccc1Cl)CO 34a_100009876509_100000210202 [0,1,0,0,0,0|2,0,1]=4 2091 B12R1.270 CCOc1cc(ccc1Cl)CO 7a_100009876509_100000210202 [0,1,0,0,0,0|2,0,1]=4 2092 B12R1.270 CCOc1cc(ccc1Cl)NC 2230a_100011964961_200000210301 [0,1,0,0,0,0|2,0,1]=4 2093 B12R1.270 CCOc1cc(ccc1Cl)NC 34a_100011964961_200000210301 [0,1,0,0,0,0|2,0,1]=4 2094 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 2230a_100011964961_200025704644 [0,1,0,0,0,0|2,0,1]=4 2095 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 34a_100011964961_200025704644 [0,1,0,0,0,0|2,0,1]=4 2096 B12R1.270 CCOc1cc(ccc1Cl)OC 34a_100011516019_100000210202 [0,1,0,0,0,0|2,0,1]=4 2097 B12R1.270 CCOc1cc(ccc1Cl)OC 7a_100011516019_100000210202 [0,1,0,0,0,0|2,0,1]=4 2098 B12R1.270 CCOc1cc(ccc1F)C#N 34a_100000069402_100000210202 [0,1,0,0,0,0|2,0,1]=4 2099 B12R1.270 CCOc1cc(ccc1F)C#N 7a_100000069402_100000210202 [0,1,0,0,0,0|2,0,1]=4 2100 B12R1.270 CCOc1cc(ccc1F)CN 34a_100160469508_100000210202 [0,1,0,0,0,0|2,0,1]=4 2101 B12R1.270 CCOc1cc(ccc1F)CO 34a_100009842347_100000210202 [0,1,0,0,0,0|2,0,1]=4 2102 B12R1.270 CCOc1cc(ccc1F)CO 7a_100009842347_100000210202 [0,1,0,0,0,0|2,0,1]=4 2103 B12R1.270 CCOc1cc(ccc1F)OC 34a_100012178750_100000210202 [0,1,0,0,0,0|2,0,1]=4 2104 B12R1.270 CCOc1cc(ccc1F)OC 7a_100012178750_100000210202 [0,1,0,0,0,0|2,0,1]=4 2105 B12R1.270 CCOc1cc(ccc1F)SC 62a_200000210301_200012344967 [0,1,0,0,0,0|2,0,1]=4 2106 B12R1.270 CCOc1cc(ccc1F)SC 62a_200012344967_200000210301 [0,1,0,0,0,0|2,0,1]=4 2107 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200012344967_200025704644 [0,1,0,0,0,0|2,0,1]=4 2108 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200025704644_200012344967 [0,1,0,0,0,0|2,0,1]=4 2109 B12R1.270 CCOc1cc(ccc1I)C#N 34a_100000724445_100000210202 [0,1,0,0,0,0|2,0,1]=4 2110 B12R1.270 CCOc1cc(ccc1I)C#N 7a_100000724445_100000210202 [0,1,0,0,0,0|2,0,1]=4 2111 B12R1.270 CCOc1cc(ccc1I)CO 34a_100000049605_100000210202 [0,1,0,0,0,0|2,0,1]=4 2112 B12R1.270 CCOc1cc(ccc1I)CO 7a_100000049605_100000210202 [0,1,0,0,0,0|2,0,1]=4 2113 B12R1.270 CCOc1cc(ccc1I)OC 34a_100010168831_100000210202 [0,1,0,0,0,0|2,0,1]=4 2114 B12R1.270 CCOc1cc(ccc1I)OC 7a_100010168831_100000210202 [0,1,0,0,0,0|2,0,1]=4 2115 B12R1.270 CCOc1cc(ccc1N)C#N 34a_100011997735_100000210202 [0,1,0,0,0,0|2,0,1]=4 2116 B12R1.270 CCOc1cc(ccc1N)C#N 7a_100011997735_100000210202 [0,1,0,0,0,0|2,0,1]=4 2117 B12R1.270 CCOc1cc(ccc1N)CC 34a_100000124328_100000210202 [0,1,0,0,0,0|1,0,2]=4 2118 B12R1.270 CCOc1cc(ccc1N)CC 7a_100000124328_100000210202 [0,1,0,0,0,0|1,0,2]=4 2119 B12R1.270 CCOc1cc(ccc1N)OC 34a_100016989039_100000210202 [0,1,0,0,0,0|2,0,1]=4 2120 B12R1.270 CCOc1cc(ccc1N)OC 7a_100016989039_100000210202 [0,1,0,0,0,0|2,0,1]=4 2121 B12R1.270 CCOc1cc(ccc1N)SC 62a_100000688918_200000210301 [0,1,0,0,0,0|2,0,1]=4 2122 B12R1.270 CCOc1cc(ccc1N)S[13CH3] 62a_100000688918_200025704644 [0,1,0,0,0,0|2,0,1]=4 2123 B12R1.270 CCOc1cc(ccc1O)C=O 271570a_203496583355_200010381951 [0,1,0,0,0,0|1,0,0]=2 2124 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100000210202_100010146563 [0,1,0,0,0,0|2,1,0]=4 2125 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100010146563_100000210202 [0,1,0,0,0,0|2,1,0]=4 2126 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000210202_100000695567 [0,1,0,0,0,0|2,1,0]=4 2127 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000695567_100000210202 [0,1,0,0,0,0|2,1,0]=4 2128 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100000210202_100010209939 [0,1,0,0,0,0|2,1,0]=4 2129 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210202 [0,1,0,0,0,0|2,1,0]=4 2130 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000210202_100000211747 [0,1,0,0,0,0|2,1,0]=4 2131 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000211747_100000210202 [0,1,0,0,0,0|2,1,0]=4 2132 B12R1.270 CCSc1cc(ccc1O)C#N 62a_100000210202_100000725478 [0,1,0,0,0,0|1,1,1]=4 2133 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000184552_100000210202 [0,1,0,0,0,0|1,1,0]=3 2134 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000210202_100000184552 [0,1,0,0,0,0|1,1,0]=3 2135 B12R1.270 CCSc1cc(ccc1O)CC 62a_100000210202_100012339963 [0,1,0,0,0,0|0,1,2]=4 2136 B12R1.270 CCSc1cc(ccc1O)CC 62a_100012339963_100000210202 [0,1,0,0,0,0|0,1,2]=4 2137 B12R1.270 CCSc1cc(ccc1O)CO 62a_100000210202_100011191544 [0,1,0,0,0,0|1,1,1]=4 2138 B12R1.270 CCSc1cc(ccc1O)CO 62a_100011191544_100000210202 [0,1,0,0,0,0|1,1,1]=4 2139 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [0,1,0,0,0,0|1,1,1]=4 2140 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100000210202_100010064886 [0,1,0,0,0,0|2,1,0]=4 2141 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100010064886_100000210202 [0,1,0,0,0,0|2,1,0]=4 2142 B12R1.270 CCc1ccc(c(c1)NCF)O 34a_100000765835_100015361967 [0,1,0,0,0,0|1,0,2]=4 2143 B12R1.270 CCc1ccc(c(c1)OCF)N 34a_100000124328_100015361967 [0,1,0,0,0,0|1,0,2]=4 2144 B12R1.270 CCc1ccc(c(c1)OCF)N 7a_100000124328_100015361967 [0,1,0,0,0,0|1,0,2]=4 2145 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100012339963_100015361967 [0,1,0,0,0,0|0,1,2]=4 2146 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100015361967_100012339963 [0,1,0,0,0,0|0,1,2]=4 2147 B12R1.270 CNCc1cc(ccc1O)SC 62a_100011602694_200000210301 [0,1,0,0,0,0|2,0,1]=4 2148 B12R1.270 CNCc1cc(ccc1O)SC 62a_200000210301_100011602694 [0,1,0,0,0,0|2,0,1]=4 2149 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_100011602694_200025704644 [0,1,0,0,0,0|2,0,1]=4 2150 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_200025704644_100011602694 [0,1,0,0,0,0|2,0,1]=4 2151 B12R1.270 COCc1cc(ccc1Br)C#N 34a_100010246249_200000210301 [0,1,0,0,0,0|2,0,1]=4 2152 B12R1.270 COCc1cc(ccc1Br)C#N 34a_100138415774_100012145668 [0,1,0,0,0,0|2,0,1]=4 2153 B12R1.270 COCc1cc(ccc1Br)C#N 7a_100010246249_200000210301 [0,1,0,0,0,0|2,0,1]=4 2154 B12R1.270 COCc1cc(ccc1Br)OC 34a_100138415774_100000761528 [0,1,0,0,0,0|2,0,1]=4 2155 B12R1.270 COCc1cc(ccc1Br)OC 34a_200011273942_200000210301 [0,1,0,0,0,0|2,0,1]=4 2156 B12R1.270 COCc1cc(ccc1Br)OC 7a_200011273942_200000210301 [0,1,0,0,0,0|2,0,1]=4 2157 B12R1.270 COCc1cc(ccc1Br)SC 62a_200000210301_202125822959 [0,1,0,0,0,0|2,0,1]=4 2158 B12R1.270 COCc1cc(ccc1Br)SC 62a_202125822959_200000210301 [0,1,0,0,0,0|2,0,1]=4 2159 B12R1.270 COCc1cc(ccc1Br)S[13CH3] 62a_200025704644_202125822959 [0,1,0,0,0,0|2,0,1]=4 2160 B12R1.270 COCc1cc(ccc1Br)S[13CH3] 62a_202125822959_200025704644 [0,1,0,0,0,0|2,0,1]=4 2161 B12R1.270 COCc1cc(ccc1C)C#N 34a_200009860882_200000210301 [0,1,0,0,0,0|2,0,1]=4 2162 B12R1.270 COCc1cc(ccc1C)C#N 7a_200009860882_200000210301 [0,1,0,0,0,0|2,0,1]=4 2163 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [0,1,0,0,0,0|2,0,1]=4 2164 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [0,1,0,0,0,0|2,0,1]=4 2165 B12R1.270 COCc1cc(ccc1Cl)OC 34a_100138415774_100000718613 [0,1,0,0,0,0|2,0,1]=4 2166 B12R1.270 COCc1cc(ccc1F)C#N 34a_100000757149_200000210301 [0,1,0,0,0,0|2,0,1]=4 2167 B12R1.270 COCc1cc(ccc1F)C#N 7a_100000757149_200000210301 [0,1,0,0,0,0|2,0,1]=4 2168 B12R1.270 COCc1cc(ccc1F)OC 34a_100000067870_200000210301 [0,1,0,0,0,0|2,0,1]=4 2169 B12R1.270 COCc1cc(ccc1F)OC 34a_100138415774_100010243555 [0,1,0,0,0,0|2,0,1]=4 2170 B12R1.270 COCc1cc(ccc1F)OC 7a_100000067870_200000210301 [0,1,0,0,0,0|2,0,1]=4 2171 B12R1.270 COCc1cc(ccc1F)SC 62a_100010140362_200000210301 [0,1,0,0,0,0|2,0,1]=4 2172 B12R1.270 COCc1cc(ccc1F)SC 62a_200000210301_100010140362 [0,1,0,0,0,0|2,0,1]=4 2173 B12R1.270 COCc1cc(ccc1F)S[13CH3] 62a_100010140362_200025704644 [0,1,0,0,0,0|2,0,1]=4 2174 B12R1.270 COCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010140362 [0,1,0,0,0,0|2,0,1]=4 2175 B12R1.270 COCc1cc(ccc1N)OC 34a_100012001277_200000210301 [0,1,0,0,0,0|2,0,1]=4 2176 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [0,1,0,0,0,0|2,0,1]=4 2177 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 34a_200011273942_200025704644 [0,1,0,0,0,0|2,0,1]=4 2178 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 7a_200011273942_200025704644 [0,1,0,0,0,0|2,0,1]=4 2179 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [0,1,0,0,0,0|2,0,1]=4 2180 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [0,1,0,0,0,0|2,0,1]=4 2181 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 34a_100000067870_200025704644 [0,1,0,0,0,0|2,0,1]=4 2182 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 7a_100000067870_200025704644 [0,1,0,0,0,0|2,0,1]=4 2183 B12R1.270 COc1ccc(c(c1)CO[13CH3])N 34a_100012001277_200025704644 [0,1,0,0,0,0|2,0,1]=4 2184 B12R1.270 COc1ccc(c(c1)NCF)O 34a_100000188146_100015361967 [0,1,0,0,0,0|2,0,1]=4 2185 B12R1.270 COc1ccc(c(c1)OCF)Br 34a_100000719091_100015361967 [0,1,0,0,0,0|2,0,1]=4 2186 B12R1.270 COc1ccc(c(c1)OCF)Br 7a_100000719091_100015361967 [0,1,0,0,0,0|2,0,1]=4 2187 B12R1.270 COc1ccc(c(c1)OCF)C 34a_100012179981_100015361967 [0,1,0,0,0,0|2,0,1]=4 2188 B12R1.270 COc1ccc(c(c1)OCF)C 7a_100012179981_100015361967 [0,1,0,0,0,0|2,0,1]=4 2189 B12R1.270 COc1ccc(c(c1)OCF)Cl 34a_100011516019_100015361967 [0,1,0,0,0,0|2,0,1]=4 2190 B12R1.270 COc1ccc(c(c1)OCF)Cl 7a_100011516019_100015361967 [0,1,0,0,0,0|2,0,1]=4 2191 B12R1.270 COc1ccc(c(c1)OCF)F 34a_100012178750_100015361967 [0,1,0,0,0,0|2,0,1]=4 2192 B12R1.270 COc1ccc(c(c1)OCF)F 7a_100012178750_100015361967 [0,1,0,0,0,0|2,0,1]=4 2193 B12R1.270 COc1ccc(c(c1)OCF)I 34a_100010168831_100015361967 [0,1,0,0,0,0|2,0,1]=4 2194 B12R1.270 COc1ccc(c(c1)OCF)I 7a_100010168831_100015361967 [0,1,0,0,0,0|2,0,1]=4 2195 B12R1.270 COc1ccc(c(c1)OCF)N 34a_100016989039_100015361967 [0,1,0,0,0,0|2,0,1]=4 2196 B12R1.270 COc1ccc(c(c1)OCF)N 7a_100016989039_100015361967 [0,1,0,0,0,0|2,0,1]=4 2197 B12R1.270 COc1ccc(c(c1)SCF)O 62a_100015361967_100000685887 [0,1,0,0,0,0|1,1,1]=4 2198 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 34a_200009860882_200025704644 [0,1,0,0,0,0|2,0,1]=4 2199 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 7a_200009860882_200025704644 [0,1,0,0,0,0|2,0,1]=4 2200 B12R1.270 Cc1ccc(cc1OCF)C#N 34a_100000765541_100015361967 [0,1,0,0,0,0|2,0,1]=4 2201 B12R1.270 Cc1ccc(cc1OCF)C#N 7a_100000765541_100015361967 [0,1,0,0,0,0|2,0,1]=4 2202 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100000695567_100015361967 [0,1,0,0,0,0|2,1,0]=4 2203 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100015361967_100000695567 [0,1,0,0,0,0|2,1,0]=4 2204 B12R1.270 N#Cc1ccc(c(c1)NCF)O 34a_100000766272_100015361967 [0,1,0,0,0,0|2,0,1]=4 2205 B12R1.270 N#Cc1ccc(c(c1)NCF)O 7a_100000766272_100015361967 [0,1,0,0,0,0|2,0,1]=4 2206 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 34a_100009877741_100015361967 [0,1,0,0,0,0|2,0,1]=4 2207 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 7a_100009877741_100015361967 [0,1,0,0,0,0|2,0,1]=4 2208 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 34a_100012186312_100015361967 [0,1,0,0,0,0|2,0,1]=4 2209 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 7a_100012186312_100015361967 [0,1,0,0,0,0|2,0,1]=4 2210 B12R1.270 N#Cc1ccc(c(c1)OCF)F 34a_100000069402_100015361967 [0,1,0,0,0,0|2,0,1]=4 2211 B12R1.270 N#Cc1ccc(c(c1)OCF)F 7a_100000069402_100015361967 [0,1,0,0,0,0|2,0,1]=4 2212 B12R1.270 N#Cc1ccc(c(c1)OCF)I 34a_100000724445_100015361967 [0,1,0,0,0,0|2,0,1]=4 2213 B12R1.270 N#Cc1ccc(c(c1)OCF)I 7a_100000724445_100015361967 [0,1,0,0,0,0|2,0,1]=4 2214 B12R1.270 N#Cc1ccc(c(c1)OCF)N 34a_100011997735_100015361967 [0,1,0,0,0,0|2,0,1]=4 2215 B12R1.270 N#Cc1ccc(c(c1)OCF)N 7a_100011997735_100015361967 [0,1,0,0,0,0|2,0,1]=4 2216 B12R1.270 N#Cc1ccc(c(c1)SCF)O 62a_100015361967_100000725478 [0,1,0,0,0,0|1,1,1]=4 2217 B12R1.270 NCc1ccc(c(c1)OCF)Cl 34a_100020636435_100015361967 [0,1,0,0,0,0|2,0,1]=4 2218 B12R1.270 NCc1ccc(c(c1)OCF)F 34a_100160469508_100015361967 [0,1,0,0,0,0|2,0,1]=4 2219 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100010146563_100015361967 [0,1,0,0,0,0|2,1,0]=4 2220 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100015361967_100010146563 [0,1,0,0,0,0|2,1,0]=4 2221 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100010209939_100015361967 [0,1,0,0,0,0|2,1,0]=4 2222 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100015361967_100010209939 [0,1,0,0,0,0|2,1,0]=4 2223 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100000211747_100015361967 [0,1,0,0,0,0|2,1,0]=4 2224 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100015361967_100000211747 [0,1,0,0,0,0|2,1,0]=4 2225 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100000184552_100015361967 [0,1,0,0,0,0|1,1,0]=3 2226 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100015361967_100000184552 [0,1,0,0,0,0|1,1,0]=3 2227 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100010064886_100015361967 [0,1,0,0,0,0|2,1,0]=4 2228 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100015361967_100010064886 [0,1,0,0,0,0|2,1,0]=4 2229 B12R1.270 OCc1ccc(c(c1)NCF)O 34a_100000123545_100015361967 [0,1,0,0,0,0|2,0,1]=4 2230 B12R1.270 OCc1ccc(c(c1)OCF)Br 34a_100010191536_100015361967 [0,1,0,0,0,0|2,0,1]=4 2231 B12R1.270 OCc1ccc(c(c1)OCF)Br 7a_100010191536_100015361967 [0,1,0,0,0,0|2,0,1]=4 2232 B12R1.270 OCc1ccc(c(c1)OCF)Cl 34a_100009876509_100015361967 [0,1,0,0,0,0|2,0,1]=4 2233 B12R1.270 OCc1ccc(c(c1)OCF)Cl 7a_100009876509_100015361967 [0,1,0,0,0,0|2,0,1]=4 2234 B12R1.270 OCc1ccc(c(c1)OCF)F 34a_100009842347_100015361967 [0,1,0,0,0,0|2,0,1]=4 2235 B12R1.270 OCc1ccc(c(c1)OCF)F 7a_100009842347_100015361967 [0,1,0,0,0,0|2,0,1]=4 2236 B12R1.270 OCc1ccc(c(c1)OCF)I 34a_100000049605_100015361967 [0,1,0,0,0,0|2,0,1]=4 2237 B12R1.270 OCc1ccc(c(c1)OCF)I 7a_100000049605_100015361967 [0,1,0,0,0,0|2,0,1]=4 2238 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100011191544_100015361967 [0,1,0,0,0,0|1,1,1]=4 2239 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100015361967_100011191544 [0,1,0,0,0,0|1,1,1]=4 2240 B12R1.270 [13CH3]OCc1cc(ccc1Br)C#N 34a_100010246249_200025704644 [0,1,0,0,0,0|2,0,1]=4 2241 B12R1.270 [13CH3]OCc1cc(ccc1Br)C#N 7a_100010246249_200025704644 [0,1,0,0,0,0|2,0,1]=4 2242 B12R1.270 [13CH3]OCc1cc(ccc1F)C#N 34a_100000757149_200025704644 [0,1,0,0,0,0|2,0,1]=4 2243 B12R1.270 [13CH3]OCc1cc(ccc1F)C#N 7a_100000757149_200025704644 [0,1,0,0,0,0|2,0,1]=4 2244 B12R1.286 C=C=Cc1c[nH]c(=O)c(c1)OC 271570a_100015277604_100010125397 [0,1,0,0,0,0|1,0,1]=3 2245 B12R1.286 C=C=Cc1cc(c(cn1)C)OC 271570a_100015277604_100010067687 [0,1,0,0,0,0|2,0,0]=3 2246 B12R1.286 C=C=Cc1cc(c(cn1)F)OC 271570a_100015277604_200010136270 [0,1,0,0,0,0|2,0,0]=3 2247 B12R1.286 C=C=Cc1cc(c(cn1)N)OC 271570a_100015277604_100009887741 [0,1,0,0,0,0|2,0,0]=3 2248 B12R1.286 C=C=Cc1cc(c(nn1)N)OC 271570a_100015277604_100000688033 [0,1,0,0,0,0|3,0,0]=4 2249 B12R1.286 C=C=Cc1ccc(=O)n(c1)CC 271570a_100015277604_100000231005 [0,1,0,0,0,0|2,0,1]=4 2250 B12R1.286 C=C=Cc1ccc(c(c1)C#N)Br 271570a_100015277604_100012355174 [0,1,0,0,0,0|3,0,0]=4 2251 B12R1.286 C=C=Cc1ccc(c(c1)C#N)C 271570a_100015277604_100000698047 [0,1,0,0,0,0|3,0,0]=4 2252 B12R1.286 C=C=Cc1ccc(c(c1)C#N)Cl 271570a_100015277604_100011356831 [0,1,0,0,0,0|3,0,0]=4 2253 B12R1.286 C=C=Cc1ccc(c(c1)C#N)F 271570a_100015277604_100000037165 [0,1,0,0,0,0|3,0,0]=4 2254 B12R1.286 C=C=Cc1ccc(c(c1)C#N)N 271570a_100015277604_100000688460 [0,1,0,0,0,0|3,0,0]=4 2255 B12R1.286 C=C=Cc1ccc(c(c1)C#N)O 271570a_100015277604_100000687585 [0,1,0,0,0,0|2,0,0]=3 2256 B12R1.286 C=C=Cc1ccc(c(c1)C=O)Br 271570a_100015277604_100010185652 [0,1,0,0,0,0|3,0,0]=4 2257 B12R1.286 C=C=Cc1ccc(c(c1)C=O)C 271570a_100015277604_100011361606 [0,1,0,0,0,0|3,0,0]=4 2258 B12R1.286 C=C=Cc1ccc(c(c1)C=O)Cl 271570a_100015277604_100010254384 [0,1,0,0,0,0|3,0,0]=4 2259 B12R1.286 C=C=Cc1ccc(c(c1)C=O)F 271570a_100015277604_100000211465 [0,1,0,0,0,0|3,0,0]=4 2260 B12R1.286 C=C=Cc1ccc(c(c1)C=O)N 271570a_100015277604_100011935258 [0,1,0,0,0,0|3,0,0]=4 2261 B12R1.286 C=C=Cc1ccc(c(c1)C=O)O 271570a_100015277604_100000186750 [0,1,0,0,0,0|2,0,0]=3 2262 B12R1.286 C=C=Cc1ccc(c(c1)CC)Br 271570a_100015277604_100010244631 [0,1,0,0,0,0|2,0,0]=3 2263 B12R1.286 C=C=Cc1ccc(c(c1)CC)F 271570a_100015277604_100010244625 [0,1,0,0,0,0|2,0,0]=3 2264 B12R1.286 C=C=Cc1ccc(c(c1)CC)N 271570a_100015277604_100000686106 [0,1,0,0,0,0|2,0,0]=3 2265 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [0,1,0,0,0,0|1,0,0]=2 2266 B12R1.286 C=C=Cc1ccc(c(c1)CN)F 271570a_100015277604_100009815772 [0,1,0,0,0,0|3,0,0]=4 2267 B12R1.286 C=C=Cc1ccc(c(c1)CN)N 271570a_100015277604_100012349119 [0,1,0,0,0,0|3,0,0]=4 2268 B12R1.286 C=C=Cc1ccc(c(c1)CN)O 271570a_100015277604_100000730032 [0,1,0,0,0,0|2,0,0]=3 2269 B12R1.286 C=C=Cc1ccc(c(c1)CO)Br 271570a_100015277604_100012359683 [0,1,0,0,0,0|3,0,0]=4 2270 B12R1.286 C=C=Cc1ccc(c(c1)CO)C 271570a_100015277604_100000700630 [0,1,0,0,0,0|3,0,0]=4 2271 B12R1.286 C=C=Cc1ccc(c(c1)CO)Cl 271570a_100015277604_100010128486 [0,1,0,0,0,0|3,0,0]=4 2272 B12R1.286 C=C=Cc1ccc(c(c1)CO)F 271570a_100015277604_100000049604 [0,1,0,0,0,0|3,0,0]=4 2273 B12R1.286 C=C=Cc1ccc(c(c1)CO)N 271570a_100015277604_100012353972 [0,1,0,0,0,0|3,0,0]=4 2274 B12R1.286 C=C=Cc1ccc(c(c1)CO)O 271570a_100015277604_100000184703 [0,1,0,0,0,0|2,0,0]=3 2275 B12R1.286 C=C=Cc1ccc(c(c1)NC)C 271570a_100015277604_100020629602 [0,1,0,0,0,0|2,0,0]=3 2276 B12R1.286 C=C=Cc1ccc(c(c1)NC)F 271570a_100015277604_100011314990 [0,1,0,0,0,0|2,0,0]=3 2277 B12R1.286 C=C=Cc1ccc(c(c1)NC)N 271570a_100015277604_100000694363 [0,1,0,0,0,0|2,0,0]=3 2278 B12R1.286 C=C=Cc1ccc(c(c1)NN)F 271570a_100015277604_100020610843 [0,1,0,0,0,0|3,0,0]=4 2279 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [0,1,0,0,0,0|1,0,0]=2 2280 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [0,1,0,0,0,0|1,0,0]=2 2281 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [0,1,0,0,0,0|1,0,0]=2 2282 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [0,1,0,0,0,0|1,0,0]=2 2283 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [0,1,0,0,0,0|1,0,0]=2 2284 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [0,1,0,0,0,0|0,0,0]=1 2285 B12R1.286 C=C=Cc1ccc(c(c1)SC)F 271570a_100015277604_100010341305 [0,1,0,0,0,0|1,1,0]=3 2286 B12R1.286 C=C=Cc1ccc(c(n1)CC)N 271570a_100015277604_100009871203 [0,1,0,0,0,0|3,0,0]=4 2287 B12R1.286 C=C=Cc1ccc(c(n1)OC)N 271570a_100015277604_100000687816 [0,1,0,0,0,0|2,0,0]=3 2288 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [0,1,0,0,0,0|1,0,0]=2 2289 B12R1.286 C=C=Cc1cnc(c(c1)C#N)O 271570a_100015277604_100000697733 [0,1,0,0,0,0|3,0,0]=4 2290 B12R1.286 C=C=Cc1cnc(c(c1)CO)O 271570a_100015277604_100010065268 [0,1,0,0,0,0|3,0,0]=4 2291 B12R1.286 C=C=Cc1cnc(c(c1)NC)N 271570a_100015277604_100010506235 [0,1,0,0,0,0|3,0,0]=4 2292 B12R1.286 C=C=Cc1cnc(c(c1)OC)C 271570a_100015277604_100010254219 [0,1,0,0,0,0|2,0,0]=3 2293 B12R1.286 C=C=Cc1cnc(c(c1)OC)F 271570a_100015277604_100010214931 [0,1,0,0,0,0|2,0,0]=3 2294 B12R1.286 C=C=Cc1cnc(c(c1)OC)N 271570a_100015277604_106354213024 [0,1,0,0,0,0|2,0,0]=3 2295 B12R1.286 C=C=Cc1cnc(c(n1)OC)N 271570a_100015277604_100009816943 [0,1,0,0,0,0|3,0,0]=4 2296 B12R1.286 C=C=Cc1cnc(c(n1)OC)O 271570a_100015277604_200010365344 [0,1,0,0,0,0|2,0,0]=3 2297 B12R1.286 C=C=Cc1ncc(c(n1)OC)C 271570a_100015277604_100012500371 [0,1,0,0,0,0|3,0,0]=4 2298 B12R1.286 C=C=Cc1ncc(c(n1)OC)F 271570a_100015277604_100012183945 [0,1,0,0,0,0|3,0,0]=4 2299 B12R1.286 C=C=Cc1ncc(c(n1)OC)N 271570a_100015277604_100012122185 [0,1,0,0,0,0|3,0,0]=4 2300 B12R1.286 CC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016259895_100010125397 [0,1,0,0,0,0|1,0,1]=3 2301 B12R1.286 CC=Cc1cc(c(cn1)C)OC 271570a_100016259895_100010067687 [0,1,0,0,0,0|2,0,0]=3 2302 B12R1.286 CC=Cc1cc(c(cn1)F)OC 271570a_100016259895_200010136270 [0,1,0,0,0,0|2,0,0]=3 2303 B12R1.286 CC=Cc1cc(c(cn1)N)OC 271570a_100016259895_100009887741 [0,1,0,0,0,0|2,0,0]=3 2304 B12R1.286 CC=Cc1cc(c(nn1)N)OC 271570a_100016259895_100000688033 [0,1,0,0,0,0|3,0,0]=4 2305 B12R1.286 CC=Cc1ccc(=O)n(c1)CC 271570a_100016259895_100000231005 [0,1,0,0,0,0|2,0,1]=4 2306 B12R1.286 CC=Cc1ccc(c(c1)C#N)Br 271570a_100016259895_100012355174 [0,1,0,0,0,0|3,0,0]=4 2307 B12R1.286 CC=Cc1ccc(c(c1)C#N)C 271570a_100016259895_100000698047 [0,1,0,0,0,0|3,0,0]=4 2308 B12R1.286 CC=Cc1ccc(c(c1)C#N)Cl 271570a_100016259895_100011356831 [0,1,0,0,0,0|3,0,0]=4 2309 B12R1.286 CC=Cc1ccc(c(c1)C#N)F 271570a_100016259895_100000037165 [0,1,0,0,0,0|3,0,0]=4 2310 B12R1.286 CC=Cc1ccc(c(c1)C#N)N 271570a_100016259895_100000688460 [0,1,0,0,0,0|3,0,0]=4 2311 B12R1.286 CC=Cc1ccc(c(c1)C#N)O 271570a_100016259895_100000687585 [0,1,0,0,0,0|2,0,0]=3 2312 B12R1.286 CC=Cc1ccc(c(c1)C=O)Br 271570a_100016259895_100010185652 [0,1,0,0,0,0|3,0,0]=4 2313 B12R1.286 CC=Cc1ccc(c(c1)C=O)C 271570a_100016259895_100011361606 [0,1,0,0,0,0|3,0,0]=4 2314 B12R1.286 CC=Cc1ccc(c(c1)C=O)Cl 271570a_100016259895_100010254384 [0,1,0,0,0,0|3,0,0]=4 2315 B12R1.286 CC=Cc1ccc(c(c1)C=O)F 271570a_100016259895_100000211465 [0,1,0,0,0,0|3,0,0]=4 2316 B12R1.286 CC=Cc1ccc(c(c1)C=O)N 271570a_100016259895_100011935258 [0,1,0,0,0,0|3,0,0]=4 2317 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [0,1,0,0,0,0|2,0,0]=3 2318 B12R1.286 CC=Cc1ccc(c(c1)CC)Br 271570a_100016259895_100010244631 [0,1,0,0,0,0|2,0,0]=3 2319 B12R1.286 CC=Cc1ccc(c(c1)CC)F 271570a_100016259895_100010244625 [0,1,0,0,0,0|2,0,0]=3 2320 B12R1.286 CC=Cc1ccc(c(c1)CC)N 271570a_100016259895_100000686106 [0,1,0,0,0,0|2,0,0]=3 2321 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [0,1,0,0,0,0|1,0,0]=2 2322 B12R1.286 CC=Cc1ccc(c(c1)CN)F 271570a_100016259895_100009815772 [0,1,0,0,0,0|3,0,0]=4 2323 B12R1.286 CC=Cc1ccc(c(c1)CN)N 271570a_100016259895_100012349119 [0,1,0,0,0,0|3,0,0]=4 2324 B12R1.286 CC=Cc1ccc(c(c1)CN)O 271570a_100016259895_100000730032 [0,1,0,0,0,0|2,0,0]=3 2325 B12R1.286 CC=Cc1ccc(c(c1)CO)Br 271570a_100016259895_100012359683 [0,1,0,0,0,0|3,0,0]=4 2326 B12R1.286 CC=Cc1ccc(c(c1)CO)C 271570a_100016259895_100000700630 [0,1,0,0,0,0|3,0,0]=4 2327 B12R1.286 CC=Cc1ccc(c(c1)CO)Cl 271570a_100016259895_100010128486 [0,1,0,0,0,0|3,0,0]=4 2328 B12R1.286 CC=Cc1ccc(c(c1)CO)F 271570a_100016259895_100000049604 [0,1,0,0,0,0|3,0,0]=4 2329 B12R1.286 CC=Cc1ccc(c(c1)CO)N 271570a_100016259895_100012353972 [0,1,0,0,0,0|3,0,0]=4 2330 B12R1.286 CC=Cc1ccc(c(c1)CO)O 271570a_100016259895_100000184703 [0,1,0,0,0,0|2,0,0]=3 2331 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [0,1,0,0,0,0|2,0,0]=3 2332 B12R1.286 CC=Cc1ccc(c(c1)NC)F 271570a_100016259895_100011314990 [0,1,0,0,0,0|2,0,0]=3 2333 B12R1.286 CC=Cc1ccc(c(c1)NC)N 271570a_100016259895_100000694363 [0,1,0,0,0,0|2,0,0]=3 2334 B12R1.286 CC=Cc1ccc(c(c1)NN)F 271570a_100016259895_100020610843 [0,1,0,0,0,0|3,0,0]=4 2335 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [0,1,0,0,0,0|1,0,0]=2 2336 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [0,1,0,0,0,0|1,0,0]=2 2337 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [0,1,0,0,0,0|1,0,0]=2 2338 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [0,1,0,0,0,0|1,0,0]=2 2339 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [0,1,0,0,0,0|1,0,0]=2 2340 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [0,1,0,0,0,0|0,0,0]=1 2341 B12R1.286 CC=Cc1ccc(c(c1)SC)F 271570a_100016259895_100010341305 [0,1,0,0,0,0|1,1,0]=3 2342 B12R1.286 CC=Cc1ccc(c(n1)CC)N 271570a_100016259895_100009871203 [0,1,0,0,0,0|3,0,0]=4 2343 B12R1.286 CC=Cc1ccc(c(n1)OC)N 271570a_100016259895_100000687816 [0,1,0,0,0,0|2,0,0]=3 2344 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [0,1,0,0,0,0|1,0,0]=2 2345 B12R1.286 CC=Cc1cnc(c(c1)C#N)O 271570a_100016259895_100000697733 [0,1,0,0,0,0|3,0,0]=4 2346 B12R1.286 CC=Cc1cnc(c(c1)CO)O 271570a_100016259895_100010065268 [0,1,0,0,0,0|3,0,0]=4 2347 B12R1.286 CC=Cc1cnc(c(c1)NC)N 271570a_100016259895_100010506235 [0,1,0,0,0,0|3,0,0]=4 2348 B12R1.286 CC=Cc1cnc(c(c1)OC)C 271570a_100016259895_100010254219 [0,1,0,0,0,0|2,0,0]=3 2349 B12R1.286 CC=Cc1cnc(c(c1)OC)F 271570a_100016259895_100010214931 [0,1,0,0,0,0|2,0,0]=3 2350 B12R1.286 CC=Cc1cnc(c(c1)OC)N 271570a_100016259895_106354213024 [0,1,0,0,0,0|2,0,0]=3 2351 B12R1.286 CC=Cc1cnc(c(n1)OC)N 271570a_100016259895_100009816943 [0,1,0,0,0,0|3,0,0]=4 2352 B12R1.286 CC=Cc1cnc(c(n1)OC)O 271570a_100016259895_200010365344 [0,1,0,0,0,0|2,0,0]=3 2353 B12R1.286 CC=Cc1ncc(c(n1)OC)C 271570a_100016259895_100012500371 [0,1,0,0,0,0|3,0,0]=4 2354 B12R1.286 CC=Cc1ncc(c(n1)OC)F 271570a_100016259895_100012183945 [0,1,0,0,0,0|3,0,0]=4 2355 B12R1.286 CC=Cc1ncc(c(n1)OC)N 271570a_100016259895_100012122185 [0,1,0,0,0,0|3,0,0]=4 2356 B12R1.286 CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210202 [0,1,0,0,0,0|1,0,2]=4 2357 B12R1.286 CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210202 [0,1,0,0,0,0|1,0,2]=4 2358 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [0,1,0,0,0,0|1,0,2]=4 2359 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [0,1,0,0,0,0|1,0,2]=4 2360 B12R1.286 CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210202 [0,1,0,0,0,0|1,0,2]=4 2361 B12R1.286 CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210202 [0,1,0,0,0,0|1,0,2]=4 2362 B12R1.286 CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210202 [0,1,0,0,0,0|1,0,2]=4 2363 B12R1.286 CCNc1ccc(c(c1)OC)F 34a_100000701188_100000210202 [0,1,0,0,0,0|1,0,2]=4 2364 B12R1.286 CCNc1ccc(c(c1)OC)I 34a_100000746945_100000210202 [0,1,0,0,0,0|1,0,2]=4 2365 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [0,1,0,0,0,0|0,0,2]=3 2366 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [0,1,0,0,0,0|1,0,2]=4 2367 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [0,1,0,0,0,0|1,0,2]=4 2368 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [0,1,0,0,0,0|1,0,2]=4 2369 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [0,1,0,0,0,0|1,0,2]=4 2370 B12R1.286 CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210202 [0,1,0,0,0,0|1,0,2]=4 2371 B12R1.286 CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210202 [0,1,0,0,0,0|1,0,2]=4 2372 B12R1.286 CCOc1ccc(c(c1)OC)F 34a_100012001760_100000210202 [0,1,0,0,0,0|1,0,2]=4 2373 B12R1.286 CCOc1ccc(c(c1)OC)F 7a_100012001760_100000210202 [0,1,0,0,0,0|1,0,2]=4 2374 B12R1.286 CCOc1ccc(c(c1)OC)N 34a_100015326901_100000210202 [0,1,0,0,0,0|1,0,2]=4 2375 B12R1.286 CCOc1ccc(c(c1)OC)N 7a_100015326901_100000210202 [0,1,0,0,0,0|1,0,2]=4 2376 B12R1.286 CCSc1ccc(c(c1)CC)O 62a_100000210202_100012338938 [0,1,0,0,0,0|1,0,2]=4 2377 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100000210202_100012353699 [0,1,0,0,0,0|1,0,2]=4 2378 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210202 [0,1,0,0,0,0|1,0,2]=4 2379 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [0,1,0,0,0,0|1,0,2]=4 2380 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [0,1,0,0,0,0|1,0,2]=4 2381 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100000210202_100011356853 [0,1,0,0,0,0|1,0,2]=4 2382 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210202 [0,1,0,0,0,0|1,0,2]=4 2383 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100000210202_100011934186 [0,1,0,0,0,0|1,0,2]=4 2384 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210202 [0,1,0,0,0,0|1,0,2]=4 2385 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100000210202_100015196925 [0,1,0,0,0,0|1,0,2]=4 2386 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210202 [0,1,0,0,0,0|1,0,2]=4 2387 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [0,1,0,0,0,0|0,0,2]=3 2388 B12R1.286 CCSc1ccc(c(n1)OC)O 62a_100000210202_100010893133 [0,1,0,0,0,0|1,0,2]=4 2389 B12R1.286 CCc1cc(ccc1O)SCF 62a_100015361967_100012338938 [0,1,0,0,0,0|2,0,1]=4 2390 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [0,1,0,0,0,0|1,0,2]=4 2391 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [0,1,0,0,0,0|1,0,2]=4 2392 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [0,1,0,0,0,0|1,0,2]=4 2393 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [0,1,0,0,0,0|1,0,2]=4 2394 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [0,1,0,0,0,0|1,0,2]=4 2395 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [0,1,0,0,0,0|1,0,2]=4 2396 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [0,1,0,0,0,0|1,0,2]=4 2397 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [0,1,0,0,0,0|1,0,2]=4 2398 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [0,1,0,0,0,0|1,0,2]=4 2399 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [0,1,0,0,0,0|1,0,2]=4 2400 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [0,1,0,0,0,0|1,0,2]=4 2401 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [0,1,0,0,0,0|1,0,2]=4 2402 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [0,1,0,0,0,0|1,0,2]=4 2403 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [0,1,0,0,0,0|1,0,2]=4 2404 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [0,1,0,0,0,0|1,0,2]=4 2405 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [0,1,0,0,0,0|1,0,2]=4 2406 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [0,1,0,0,0,0|1,0,2]=4 2407 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [0,1,0,0,0,0|1,0,2]=4 2408 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [0,1,0,0,0,0|1,0,2]=4 2409 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [0,1,0,0,0,0|1,0,2]=4 2410 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [0,1,0,0,0,0|1,0,2]=4 2411 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [0,1,0,0,0,0|1,0,2]=4 2412 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [0,1,0,0,0,0|1,0,2]=4 2413 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [0,1,0,0,0,0|0,0,2]=3 2414 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [0,1,0,0,0,0|1,0,2]=4 2415 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [0,1,0,0,0,0|1,0,2]=4 2416 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [0,1,0,0,0,0|1,0,2]=4 2417 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [0,1,0,0,0,0|1,0,2]=4 2418 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [0,1,0,0,0,0|1,0,2]=4 2419 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [0,1,0,0,0,0|1,0,2]=4 2420 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [0,1,0,0,0,0|1,0,2]=4 2421 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [0,1,0,0,0,0|1,0,2]=4 2422 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [0,1,0,0,0,0|1,0,2]=4 2423 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [0,1,0,0,0,0|1,0,2]=4 2424 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [0,1,0,0,0,0|1,0,2]=4 2425 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [0,1,0,0,0,0|1,0,2]=4 2426 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [0,1,0,0,0,0|1,0,2]=4 2427 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [0,1,0,0,0,0|1,0,2]=4 2428 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [0,1,0,0,0,0|1,0,2]=4 2429 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [0,1,0,0,0,0|1,0,2]=4 2430 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [0,1,0,0,0,0|1,0,2]=4 2431 B12R1.286 COc1cc(ccc1Br)NCF 34a_100000765947_100015361967 [0,1,0,0,0,0|2,0,1]=4 2432 B12R1.286 COc1cc(ccc1Br)OCF 34a_100011827694_100015361967 [0,1,0,0,0,0|2,0,1]=4 2433 B12R1.286 COc1cc(ccc1Br)OCF 7a_100011827694_100015361967 [0,1,0,0,0,0|2,0,1]=4 2434 B12R1.286 COc1cc(ccc1Br)SCF 62a_100012353699_100015361967 [0,1,0,0,0,0|2,0,1]=4 2435 B12R1.286 COc1cc(ccc1Br)SCF 62a_100015361967_100012353699 [0,1,0,0,0,0|2,0,1]=4 2436 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [0,1,0,0,0,0|1,0,2]=4 2437 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [0,1,0,0,0,0|1,0,2]=4 2438 B12R1.286 COc1cc(ccc1C)NCF 34a_100011279678_100015361967 [0,1,0,0,0,0|2,0,1]=4 2439 B12R1.286 COc1cc(ccc1C)OCF 34a_100009865632_100015361967 [0,1,0,0,0,0|2,0,1]=4 2440 B12R1.286 COc1cc(ccc1C)OCF 7a_100009865632_100015361967 [0,1,0,0,0,0|2,0,1]=4 2441 B12R1.286 COc1cc(ccc1C)SCF 62a_100011830276_100015361967 [0,1,0,0,0,0|2,0,1]=4 2442 B12R1.286 COc1cc(ccc1C)SCF 62a_100015361967_100011830276 [0,1,0,0,0,0|2,0,1]=4 2443 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [0,1,0,0,0,0|1,0,2]=4 2444 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [0,1,0,0,0,0|1,0,2]=4 2445 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [0,1,0,0,0,0|1,0,2]=4 2446 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [0,1,0,0,0,0|1,0,2]=4 2447 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [0,1,0,0,0,0|1,0,2]=4 2448 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [0,1,0,0,0,0|1,0,2]=4 2449 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [0,1,0,0,0,0|1,0,2]=4 2450 B12R1.286 COc1cc(ccc1Cl)NCF 34a_100000742311_100015361967 [0,1,0,0,0,0|2,0,1]=4 2451 B12R1.286 COc1cc(ccc1Cl)OCF 34a_100012186310_100015361967 [0,1,0,0,0,0|2,0,1]=4 2452 B12R1.286 COc1cc(ccc1Cl)OCF 7a_100012186310_100015361967 [0,1,0,0,0,0|2,0,1]=4 2453 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100011356853_100015361967 [0,1,0,0,0,0|2,0,1]=4 2454 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100015361967_100011356853 [0,1,0,0,0,0|2,0,1]=4 2455 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [0,1,0,0,0,0|1,0,2]=4 2456 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [0,1,0,0,0,0|1,0,2]=4 2457 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [0,1,0,0,0,0|1,0,2]=4 2458 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [0,1,0,0,0,0|1,0,2]=4 2459 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [0,1,0,0,0,0|1,0,2]=4 2460 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [0,1,0,0,0,0|1,0,2]=4 2461 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [0,1,0,0,0,0|1,0,2]=4 2462 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [0,1,0,0,0,0|1,0,2]=4 2463 B12R1.286 COc1cc(ccc1F)NCF 34a_100000701188_100015361967 [0,1,0,0,0,0|2,0,1]=4 2464 B12R1.286 COc1cc(ccc1F)OCF 34a_100012001760_100015361967 [0,1,0,0,0,0|2,0,1]=4 2465 B12R1.286 COc1cc(ccc1F)OCF 7a_100012001760_100015361967 [0,1,0,0,0,0|2,0,1]=4 2466 B12R1.286 COc1cc(ccc1F)SCF 62a_100011934186_100015361967 [0,1,0,0,0,0|2,0,1]=4 2467 B12R1.286 COc1cc(ccc1F)SCF 62a_100015361967_100011934186 [0,1,0,0,0,0|2,0,1]=4 2468 B12R1.286 COc1cc(ccc1I)NCF 34a_100000746945_100015361967 [0,1,0,0,0,0|2,0,1]=4 2469 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [0,1,0,0,0,0|1,0,2]=4 2470 B12R1.286 COc1cc(ccc1N)OCF 34a_100015326901_100015361967 [0,1,0,0,0,0|2,0,1]=4 2471 B12R1.286 COc1cc(ccc1N)OCF 7a_100015326901_100015361967 [0,1,0,0,0,0|2,0,1]=4 2472 B12R1.286 COc1cc(ccc1N)SCF 62a_100011279103_100015361967 [0,1,0,0,0,0|2,0,1]=4 2473 B12R1.286 COc1cc(ccc1N)SCF 62a_100015361967_100015196925 [0,1,0,0,0,0|2,0,1]=4 2474 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [0,1,0,0,0,0|0,0,2]=3 2475 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [0,1,0,0,0,0|0,0,2]=3 2476 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [0,1,0,0,0,0|1,0,1]=3 2477 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [0,1,0,0,0,0|1,0,1]=3 2478 B12R1.286 COc1nc(ccc1O)SCF 62a_100015361967_100010893133 [0,1,0,0,0,0|2,0,1]=4 2479 B12R1.300 C=Cc1cc(c(c(c1)C#N)C)F 271570a_100011290941_100015693266 [0,1,0,0,0,0|3,0,0]=4 2480 B12R1.300 C=Cc1cc(c(c(c1)C#N)F)C 271570a_100011290941_200010873580 [0,1,0,0,0,0|3,0,0]=4 2481 B12R1.300 C=Cc1cc(c(c(c1)C#N)F)F 271570a_100011290941_100010290105 [0,1,0,0,0,0|3,0,0]=4 2482 B12R1.300 C=Cc1cc(c(c(c1)C#N)N)C 271570a_100011290941_100012771665 [0,1,0,0,0,0|3,0,0]=4 2483 B12R1.300 C=Cc1cc(c(c(c1)C#N)N)F 271570a_100011290941_200012344957 [0,1,0,0,0,0|3,0,0]=4 2484 B12R1.300 C=Cc1cc(c(c(c1)C#N)O)C 271570a_100011290941_100010195408 [0,1,0,0,0,0|2,0,0]=3 2485 B12R1.300 C=Cc1cc(c(c(c1)C=O)F)C 271570a_100011290941_100010235757 [0,1,0,0,0,0|3,0,0]=4 2486 B12R1.300 C=Cc1cc(c(c(c1)C=O)F)F 271570a_100011290941_100009814787 [0,1,0,0,0,0|3,0,0]=4 2487 B12R1.300 C=Cc1cc(c(c(c1)C=O)O)F 271570a_100011290941_100011217654 [0,1,0,0,0,0|2,0,0]=3 2488 B12R1.300 C=Cc1cc(c(c(c1)CC)N)C 271570a_100011290941_200000186424 [0,1,0,0,0,0|2,0,0]=3 2489 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [0,1,0,0,0,0|1,0,0]=2 2490 B12R1.300 C=Cc1cc(c(c(c1)CO)F)C 271570a_100011290941_200010782270 [0,1,0,0,0,0|3,0,0]=4 2491 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [0,1,0,0,0,0|1,0,0]=2 2492 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [0,1,0,0,0,0|1,0,0]=2 2493 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [0,1,0,0,0,0|1,0,0]=2 2494 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [0,1,0,0,0,0|1,0,0]=2 2495 B12R1.300 C=Cc1cc(cc(c1O)F)C=O 271570a_100011290941_100010295671 [0,1,0,0,0,0|2,0,1]=4 2496 B12R1.300 C=Cc1nc(c(c(n1)OC)F)C 271570a_100011290941_100000709200 [0,1,0,0,0,0|3,0,0]=4 2497 B12R1.300 CCc1cc(cc(c1O)C)SC 62a_200000210301_100010659108 [0,1,0,0,0,0|2,0,1]=4 2498 B12R1.300 CCc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100010659108 [0,1,0,0,0,0|2,0,1]=4 2499 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 2230a_100010131419_200000210301 [0,1,0,0,0,0|2,0,1]=4 2500 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 34a_100010131419_200000210301 [0,1,0,0,0,0|2,0,1]=4 2501 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 7a_100010131419_200000210301 [0,1,0,0,0,0|2,0,1]=4 2502 B12R1.300 CNc1cc(cc(c1O)Br)OC 34a_200010008348_200000210301 [0,1,0,0,0,0|2,0,1]=4 2503 B12R1.300 COc1cc(c(c(c1)N[13CH3])O)Br 34a_200010008348_200025704644 [0,1,0,0,0,0|2,0,1]=4 2504 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [0,1,0,0,0,0|1,0,1]=3 2505 B12R1.300 COc1cc(c(c(c1)SC)O)N 62a_200000210301_200010008348 [0,1,0,0,0,0|1,1,1]=4 2506 B12R1.300 COc1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_200010008348 [0,1,0,0,0,0|1,1,1]=4 2507 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 2230a_100010131419_200025704644 [0,1,0,0,0,0|2,0,1]=4 2508 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 34a_100010131419_200025704644 [0,1,0,0,0,0|2,0,1]=4 2509 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 7a_100010131419_200025704644 [0,1,0,0,0,0|2,0,1]=4 2510 B12R1.300 COc1cc(cc(c1F)C)SC 62a_100010271686_200000210301 [0,1,0,0,0,0|2,0,1]=4 2511 B12R1.300 COc1cc(cc(c1F)C)SC 62a_200000210301_100010271686 [0,1,0,0,0,0|2,0,1]=4 2512 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_100010271686_200025704644 [0,1,0,0,0,0|2,0,1]=4 2513 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_200025704644_100010271686 [0,1,0,0,0,0|2,0,1]=4 2514 B12R1.300 COc1cc(cc(c1F)F)SC 62a_100011218012_200000210301 [0,1,0,0,0,0|2,0,1]=4 2515 B12R1.300 COc1cc(cc(c1F)F)SC 62a_200000210301_100011218012 [0,1,0,0,0,0|2,0,1]=4 2516 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_100011218012_200025704644 [0,1,0,0,0,0|2,0,1]=4 2517 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_200025704644_100011218012 [0,1,0,0,0,0|2,0,1]=4 2518 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200000210301_200015524394 [0,1,0,0,0,0|2,0,1]=4 2519 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200015524394_200000210301 [0,1,0,0,0,0|2,0,1]=4 2520 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200015524394_200025704644 [0,1,0,0,0,0|2,0,1]=4 2521 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200025704644_200015524394 [0,1,0,0,0,0|2,0,1]=4 2522 B12R1.300 COc1cc(cc(c1N)C)SC 62a_100000741850_200000210301 [0,1,0,0,0,0|2,0,1]=4 2523 B12R1.300 COc1cc(cc(c1N)C)SC 62a_200000210301_100000741850 [0,1,0,0,0,0|2,0,1]=4 2524 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_100000741850_200025704644 [0,1,0,0,0,0|2,0,1]=4 2525 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_200025704644_100000741850 [0,1,0,0,0,0|2,0,1]=4 2526 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [0,1,0,0,0,0|1,0,1]=3 2527 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [0,1,0,0,0,0|1,0,0]=2 2528 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [0,1,0,0,0,0|1,0,1]=3 2529 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [0,1,0,0,0,0|1,0,1]=3 2530 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [0,1,0,0,0,0|1,0,1]=3 2531 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_100010132949_200000210301 [0,1,0,0,0,0|2,1,0]=4 2532 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_200000210301_100010132949 [0,1,0,0,0,0|2,1,0]=4 2533 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_100010270029_200000210301 [0,1,0,0,0,0|2,1,0]=4 2534 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_200000210301_100010270029 [0,1,0,0,0,0|2,1,0]=4 2535 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200000210301_200010341283 [0,1,0,0,0,0|2,1,0]=4 2536 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200010341283_200000210301 [0,1,0,0,0,0|2,1,0]=4 2537 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [0,1,0,0,0,0|1,1,0]=3 2538 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [0,1,0,0,0,0|1,1,0]=3 2539 B12R1.300 CSc1cc(cc(c1O)O)C#N 62a_200000210301_100010672013 [0,1,0,0,0,0|1,1,1]=4 2540 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [0,1,0,0,0,0|1,1,0]=3 2541 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_100010132949_200025704644 [0,1,0,0,0,0|2,1,0]=4 2542 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_200025704644_100010132949 [0,1,0,0,0,0|2,1,0]=4 2543 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_100010270029_200025704644 [0,1,0,0,0,0|2,1,0]=4 2544 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_200025704644_100010270029 [0,1,0,0,0,0|2,1,0]=4 2545 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200010341283_200025704644 [0,1,0,0,0,0|2,1,0]=4 2546 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200025704644_200010341283 [0,1,0,0,0,0|2,1,0]=4 2547 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [0,1,0,0,0,0|1,1,0]=3 2548 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [0,1,0,0,0,0|1,1,0]=3 2549 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C#N 62a_200025704644_100010672013 [0,1,0,0,0,0|1,1,1]=4 2550 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [0,1,0,0,0,0|1,1,0]=3 2551 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [0,1,0,0,0,0|1,0,0]=2 2552 B12R1.449 C=Cc1cc(c(cc1C)F)C#N 271570a_100011290941_100010159637 [0,1,0,0,0,0|3,0,0]=4 2553 B12R1.449 C=Cc1cc(c(cc1C)F)C=O 271570a_100011290941_100010138641 [0,1,0,0,0,0|3,0,0]=4 2554 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [0,1,0,0,0,0|1,0,0]=2 2555 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [0,1,0,0,0,0|1,0,0]=2 2556 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [0,1,0,0,0,0|1,0,0]=2 2557 B12R1.449 C=Cc1cc(c(cc1F)F)C#N 271570a_100011290941_100000084146 [0,1,0,0,0,0|3,0,0]=4 2558 B12R1.449 C=Cc1cc(c(cc1F)F)C=O 271570a_100011290941_100009814802 [0,1,0,0,0,0|3,0,0]=4 2559 B12R1.449 C=Cc1cc(c(cc1F)F)CO 271570a_100011290941_100016029355 [0,1,0,0,0,0|3,0,0]=4 2560 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [0,1,0,0,0,0|1,0,0]=2 2561 B12R1.449 C=Cc1cc(c(cc1F)F)SC 62a_100016015529_200000210301 [0,1,0,0,0,0|1,1,0]=3 2562 B12R1.449 C=Cc1cc(c(cc1F)F)SC 62a_200000210301_100016015529 [0,1,0,0,0,0|1,1,0]=3 2563 B12R1.449 C=Cc1cc(c(cc1F)F)S[13CH3] 62a_100016015529_200025704644 [0,1,0,0,0,0|1,1,0]=3 2564 B12R1.449 C=Cc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_100016015529 [0,1,0,0,0,0|1,1,0]=3 2565 B12R1.449 C=Cc1cc(c(cc1F)N)C#N 271570a_100011290941_100010741936 [0,1,0,0,0,0|3,0,0]=4 2566 B12R1.449 C=Cc1cc(c(cc1F)N)C=O 271570a_100011290941_200010571964 [0,1,0,0,0,0|3,0,0]=4 2567 B12R1.449 C=Cc1cc(c(cc1F)N)NC 271570a_100011290941_100013631271 [0,1,0,0,0,0|2,0,0]=3 2568 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [0,1,0,0,0,0|1,0,0]=2 2569 B12R1.449 C=Cc1cc(c(cc1F)O)C=O 271570a_100011290941_100010175118 [0,1,0,0,0,0|2,0,0]=3 2570 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [0,1,0,0,0,0|0,0,0]=1 2571 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [0,1,0,0,0,0|1,0,0]=2 2572 B12R1.449 C=Cc1cc(c(cc1N)F)C#N 271570a_100011290941_200015809822 [0,1,0,0,0,0|3,0,0]=4 2573 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [0,1,0,0,0,0|1,0,0]=2 2574 B12R1.449 C=Cc1cc(c(cc1O)F)C#N 271570a_100011290941_100011015635 [0,1,0,0,0,0|3,0,0]=4 2575 B12R1.449 C=Cc1cc(c(cc1O)O)C=O 271570a_100011290941_200010132312 [0,1,0,0,0,0|2,0,0]=3 2576 B12R1.449 C=Cc1cc(c(nc1C)N)OC 271570a_100011290941_200010892190 [0,1,0,0,0,0|2,0,0]=3 2577 B12R1.449 C=Cc1cc(c(nc1C)O)C#N 271570a_100011290941_100000702242 [0,1,0,0,0,0|3,0,0]=4 2578 B12R1.449 CCc1cc(c(cc1Br)F)OC 34a_100011156610_200000210301 [0,1,0,0,0,0|1,0,2]=4 2579 B12R1.449 CCc1cc(c(cc1Br)F)OC 7a_100011156610_200000210301 [0,1,0,0,0,0|1,0,2]=4 2580 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 34a_100011156610_200025704644 [0,1,0,0,0,0|1,0,2]=4 2581 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 7a_100011156610_200025704644 [0,1,0,0,0,0|1,0,2]=4 2582 B12R1.449 CNc1cc(c(cc1Br)Br)OC 34a_100000718616_200000210301 [0,1,0,0,0,0|2,0,1]=4 2583 B12R1.449 CNc1cc(c(cc1Br)Br)OC 7a_100000718616_200000210301 [0,1,0,0,0,0|2,0,1]=4 2584 B12R1.449 CNc1cc(c(cc1Br)C)OC 34a_100010244135_200000210301 [0,1,0,0,0,0|2,0,1]=4 2585 B12R1.449 CNc1cc(c(cc1Br)C)OC 7a_100010244135_200000210301 [0,1,0,0,0,0|2,0,1]=4 2586 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 34a_100013022580_200000210301 [0,1,0,0,0,0|2,0,1]=4 2587 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 7a_100013022580_200000210301 [0,1,0,0,0,0|2,0,1]=4 2588 B12R1.449 CNc1cc(c(cc1Br)F)OC 34a_100010208193_200000210301 [0,1,0,0,0,0|2,0,1]=4 2589 B12R1.449 CNc1cc(c(cc1Br)F)OC 7a_100010208193_200000210301 [0,1,0,0,0,0|2,0,1]=4 2590 B12R1.449 CNc1cc(c(cc1C)Br)OC 34a_100010232211_200000210301 [0,1,0,0,0,0|2,0,1]=4 2591 B12R1.449 CNc1cc(c(cc1C)Br)OC 7a_100010232211_200000210301 [0,1,0,0,0,0|2,0,1]=4 2592 B12R1.449 CNc1cc(c(cc1C)Cl)OC 2230a_100009858536_200000210301 [0,1,0,0,0,0|2,0,1]=4 2593 B12R1.449 CNc1cc(c(cc1C)Cl)OC 34a_100009858536_200000210301 [0,1,0,0,0,0|2,0,1]=4 2594 B12R1.449 CNc1cc(c(cc1C)Cl)OC 7a_100009858536_200000210301 [0,1,0,0,0,0|2,0,1]=4 2595 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 34a_100012361290_200000210301 [0,1,0,0,0,0|2,0,1]=4 2596 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 7a_100012361290_200000210301 [0,1,0,0,0,0|2,0,1]=4 2597 B12R1.449 CNc1cc(c(cc1Cl)Cl)OC 34a_100011830341_200000210301 [0,1,0,0,0,0|2,0,1]=4 2598 B12R1.449 CNc1cc(c(cc1Cl)F)OC 34a_100009958774_200000210301 [0,1,0,0,0,0|2,0,1]=4 2599 B12R1.449 CNc1cc(c(cc1Cl)F)OC 7a_100009958774_200000210301 [0,1,0,0,0,0|2,0,1]=4 2600 B12R1.449 CNc1cc(c(cc1F)Cl)OC 34a_100009872666_200000210301 [0,1,0,0,0,0|2,0,1]=4 2601 B12R1.449 CNc1cc(c(cc1F)Cl)OC 7a_100009872666_200000210301 [0,1,0,0,0,0|2,0,1]=4 2602 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 34a_100000718616_200025704644 [0,1,0,0,0,0|2,0,1]=4 2603 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 7a_100000718616_200025704644 [0,1,0,0,0,0|2,0,1]=4 2604 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200000210301_200014006352 [0,1,0,0,0,0|2,0,1]=4 2605 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200014006352_200000210301 [0,1,0,0,0,0|2,0,1]=4 2606 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200014006352_200025704644 [0,1,0,0,0,0|2,0,1]=4 2607 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200025704644_200014006352 [0,1,0,0,0,0|2,0,1]=4 2608 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 34a_100010232211_200025704644 [0,1,0,0,0,0|2,0,1]=4 2609 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 7a_100010232211_200025704644 [0,1,0,0,0,0|2,0,1]=4 2610 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 34a_100012361290_200025704644 [0,1,0,0,0,0|2,0,1]=4 2611 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 7a_100012361290_200025704644 [0,1,0,0,0,0|2,0,1]=4 2612 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 34a_100010244135_200025704644 [0,1,0,0,0,0|2,0,1]=4 2613 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 7a_100010244135_200025704644 [0,1,0,0,0,0|2,0,1]=4 2614 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200000210301_200010584344 [0,1,0,0,0,0|2,0,1]=4 2615 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200010584344_200000210301 [0,1,0,0,0,0|2,0,1]=4 2616 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200010584344_200025704644 [0,1,0,0,0,0|2,0,1]=4 2617 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200025704644_200010584344 [0,1,0,0,0,0|2,0,1]=4 2618 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 34a_100013022580_200025704644 [0,1,0,0,0,0|2,0,1]=4 2619 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 7a_100013022580_200025704644 [0,1,0,0,0,0|2,0,1]=4 2620 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 2230a_100009858536_200025704644 [0,1,0,0,0,0|2,0,1]=4 2621 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 34a_100009858536_200025704644 [0,1,0,0,0,0|2,0,1]=4 2622 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 7a_100009858536_200025704644 [0,1,0,0,0,0|2,0,1]=4 2623 B12R1.449 COc1cc(c(cc1Cl)Cl)N[13CH3] 34a_100011830341_200025704644 [0,1,0,0,0,0|2,0,1]=4 2624 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 34a_100009872666_200025704644 [0,1,0,0,0,0|2,0,1]=4 2625 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 7a_100009872666_200025704644 [0,1,0,0,0,0|2,0,1]=4 2626 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_100010739614_200000210301 [0,1,0,0,0,0|2,0,1]=4 2627 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_200000210301_100010739614 [0,1,0,0,0,0|2,0,1]=4 2628 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_100010739614_200025704644 [0,1,0,0,0,0|2,0,1]=4 2629 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_200025704644_100010739614 [0,1,0,0,0,0|2,0,1]=4 2630 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 34a_100010208193_200025704644 [0,1,0,0,0,0|2,0,1]=4 2631 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 7a_100010208193_200025704644 [0,1,0,0,0,0|2,0,1]=4 2632 B12R1.449 COc1cc(c(cc1F)C)SC 62a_100011009880_200000210301 [0,1,0,0,0,0|2,0,1]=4 2633 B12R1.449 COc1cc(c(cc1F)C)SC 62a_200000210301_100011009880 [0,1,0,0,0,0|2,0,1]=4 2634 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_100011009880_200025704644 [0,1,0,0,0,0|2,0,1]=4 2635 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100011009880 [0,1,0,0,0,0|2,0,1]=4 2636 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 34a_100009958774_200025704644 [0,1,0,0,0,0|2,0,1]=4 2637 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 7a_100009958774_200025704644 [0,1,0,0,0,0|2,0,1]=4 2638 B12R1.449 COc1cc(c(cc1F)F)C#N 34a_100015806265_200000210301 [0,1,0,0,0,0|2,0,1]=4 2639 B12R1.449 COc1cc(c(cc1F)F)C#N 7a_100015806265_200000210301 [0,1,0,0,0,0|2,0,1]=4 2640 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200000210301_200015541288 [0,1,0,0,0,0|2,0,1]=4 2641 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200015541288_200000210301 [0,1,0,0,0,0|2,0,1]=4 2642 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200015541288_200025704644 [0,1,0,0,0,0|2,0,1]=4 2643 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_200015541288 [0,1,0,0,0,0|2,0,1]=4 2644 B12R1.449 COc1cc(c(cc1F)N)SC 62a_100010365326_200000210301 [0,1,0,0,0,0|2,0,1]=4 2645 B12R1.449 COc1cc(c(cc1F)N)SC 62a_200000210301_100010365326 [0,1,0,0,0,0|2,0,1]=4 2646 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_100010365326_200025704644 [0,1,0,0,0,0|2,0,1]=4 2647 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_200025704644_100010365326 [0,1,0,0,0,0|2,0,1]=4 2648 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [0,1,0,0,0,0|2,0,0]=3 2649 B12R1.449 COc1cc(c(cc1N)C)SC 62a_100010141321_200000210301 [0,1,0,0,0,0|2,0,1]=4 2650 B12R1.449 COc1cc(c(cc1N)C)SC 62a_200000210301_100010141321 [0,1,0,0,0,0|2,0,1]=4 2651 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_100010141321_200025704644 [0,1,0,0,0,0|2,0,1]=4 2652 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100010141321 [0,1,0,0,0,0|2,0,1]=4 2653 B12R1.449 COc1cc(c(cc1N)F)SC 62a_100012766639_200000210301 [0,1,0,0,0,0|2,0,1]=4 2654 B12R1.449 COc1cc(c(cc1N)F)SC 62a_200000210301_100012766639 [0,1,0,0,0,0|2,0,1]=4 2655 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_100012766639_200025704644 [0,1,0,0,0,0|2,0,1]=4 2656 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_200025704644_100012766639 [0,1,0,0,0,0|2,0,1]=4 2657 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [0,1,0,0,0,0|1,0,0]=2 2658 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [0,1,0,0,0,0|1,0,1]=3 2659 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [0,1,0,0,0,0|1,0,1]=3 2660 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [0,1,0,0,0,0|1,0,1]=3 2661 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [0,1,0,0,0,0|1,0,0]=2 2662 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [0,1,0,0,0,0|1,0,0]=2 2663 B12R1.449 COc1nc(c(cc1C)O)OC 271570a_203496583355_100021123867 [0,1,0,0,0,0|2,0,1]=4 2664 B12R1.449 COc1nc(c(cc1O)Br)OC 271570a_203496583355_100025726379 [0,1,0,0,0,0|2,0,1]=4 2665 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_100010138641_200000210301 [0,1,0,0,0,0|2,1,0]=4 2666 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_200000210301_100010138641 [0,1,0,0,0,0|2,1,0]=4 2667 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_100009814802_200000210301 [0,1,0,0,0,0|2,1,0]=4 2668 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_200000210301_100009814802 [0,1,0,0,0,0|2,1,0]=4 2669 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200000210301_200010571964 [0,1,0,0,0,0|2,1,0]=4 2670 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200010571964_200000210301 [0,1,0,0,0,0|2,1,0]=4 2671 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_100010175118_200000210301 [0,1,0,0,0,0|2,1,0]=4 2672 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_200000210301_100010175118 [0,1,0,0,0,0|2,1,0]=4 2673 B12R1.449 CSc1cc(c(cc1O)F)C#N 62a_200000210301_100011015635 [0,1,0,0,0,0|1,1,1]=4 2674 B12R1.449 CSc1cc(c(cc1O)O)C=O 62a_200000210301_200010132312 [0,1,0,0,0,0|1,1,0]=3 2675 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_100010138641_200025704644 [0,1,0,0,0,0|2,1,0]=4 2676 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010138641 [0,1,0,0,0,0|2,1,0]=4 2677 B12R1.449 [13CH3]Oc1cc(c(cc1F)F)C#N 34a_100015806265_200025704644 [0,1,0,0,0,0|2,0,1]=4 2678 B12R1.449 [13CH3]Oc1cc(c(cc1F)F)C#N 7a_100015806265_200025704644 [0,1,0,0,0,0|2,0,1]=4 2679 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_100009814802_200025704644 [0,1,0,0,0,0|2,1,0]=4 2680 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_200025704644_100009814802 [0,1,0,0,0,0|2,1,0]=4 2681 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200010571964_200025704644 [0,1,0,0,0,0|2,1,0]=4 2682 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200025704644_200010571964 [0,1,0,0,0,0|2,1,0]=4 2683 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_100010175118_200025704644 [0,1,0,0,0,0|2,1,0]=4 2684 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_200025704644_100010175118 [0,1,0,0,0,0|2,1,0]=4 2685 B12R1.449 [13CH3]Sc1cc(c(cc1O)F)C#N 62a_200025704644_100011015635 [0,1,0,0,0,0|1,1,1]=4 2686 B12R1.449 [13CH3]Sc1cc(c(cc1O)O)C=O 62a_200025704644_200010132312 [0,1,0,0,0,0|1,1,0]=3 2687 B12R1.453 C=C(C)c1cc(ccc1Br)C=O 271570a_100000694244_100010146563 [0,1,0,0,0,0|3,0,0]=4 2688 B12R1.453 C=C(C)c1cc(ccc1C)C=O 271570a_100000694244_100000695567 [0,1,0,0,0,0|3,0,0]=4 2689 B12R1.453 C=C(C)c1cc(ccc1Cl)C=O 271570a_100000694244_100010209939 [0,1,0,0,0,0|3,0,0]=4 2690 B12R1.453 C=C(C)c1cc(ccc1F)C=O 271570a_100000694244_100000211747 [0,1,0,0,0,0|3,0,0]=4 2691 B12R1.453 C=C(C)c1cc(ccc1O)C#N 271570a_100000694244_100000725478 [0,1,0,0,0,0|2,0,1]=4 2692 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [0,1,0,0,0,0|2,0,0]=3 2693 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,1,0,0,0,0|1,0,2]=4 2694 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,1,0,0,0,0|2,0,1]=4 2695 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,1,0,0,0,0|2,0,1]=4 2696 B12R1.453 C=C(C)c1cc(cnc1O)C=O 271570a_100000694244_100010064886 [0,1,0,0,0,0|3,0,0]=4 2697 B12R1.453 C=Cc1cc(c(cn1)F)C(=O)C 271570a_100011290941_100000697832 [0,1,0,0,0,0|3,0,0]=4 2698 B12R1.453 C=Cc1ccc(=O)n(c1)C(C)C 271570a_100011290941_100016995121 [0,1,0,0,0,0|2,0,1]=4 2699 B12R1.453 C=Cc1ccc(c(c1)B(O)O)Br 271570a_100011290941_200010171685 [0,1,0,0,0,0|3,0,0]=4 2700 B12R1.453 C=Cc1ccc(c(c1)B(O)O)C 271570a_100011290941_100010223188 [0,1,0,0,0,0|3,0,0]=4 2701 B12R1.453 C=Cc1ccc(c(c1)B(O)O)F 271570a_100011290941_100011356809 [0,1,0,0,0,0|3,0,0]=4 2702 B12R1.453 C=Cc1ccc(c(c1)B(O)O)O 271570a_100011290941_200009814749 [0,1,0,0,0,0|2,0,0]=3 2703 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,1,0,0,0,0|2,0,0]=3 2704 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [0,1,0,0,0,0|2,0,0]=3 2705 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [0,1,0,0,0,0|2,0,0]=3 2706 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [0,1,0,0,0,0|2,0,0]=3 2707 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,1,0,0,0,0|1,0,0]=2 2708 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)C 271570a_100011290941_100012257281 [0,1,0,0,0,0|3,0,0]=4 2709 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)F 271570a_100011290941_100000162119 [0,1,0,0,0,0|3,0,0]=4 2710 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)N 271570a_100011290941_100000740421 [0,1,0,0,0,0|3,0,0]=4 2711 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,1,0,0,0,0|2,0,0]=3 2712 B12R1.453 C=Cc1ccc(c(c1)C(C)C)F 271570a_100011290941_200053017515 [0,1,0,0,0,0|2,0,0]=3 2713 B12R1.453 C=Cc1ccc(c(c1)C(C)C)N 271570a_100011290941_100000694223 [0,1,0,0,0,0|2,0,0]=3 2714 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [0,1,0,0,0,0|1,0,0]=2 2715 B12R1.453 C=Cc1ccc(c(c1)C(C)O)F 271570a_100011290941_100011943926 [0,1,0,0,0,0|2,0,0]=3 2716 B12R1.453 C=Cc1ccc(c(c1)C(F)F)F 271570a_100011290941_100010167061 [0,1,0,0,0,0|3,0,0]=4 2717 B12R1.453 C=Cc1ccc(c(c1)N(C)C)F 271570a_100011290941_100010288836 [0,1,0,0,0,0|2,0,0]=3 2718 B12R1.453 C=Cc1ccc(c(n1)C(=O)C)F 271570a_100011290941_100009887703 [0,1,0,0,0,0|3,0,0]=4 2719 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)C 271570a_100011290941_100138557192 [0,1,0,0,0,0|3,0,0]=4 2720 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)F 271570a_100011290941_100010254234 [0,1,0,0,0,0|3,0,0]=4 2721 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)N 271570a_100011290941_100010173950 [0,1,0,0,0,0|3,0,0]=4 2722 B12R1.453 C=Cc1cnc(c(c1)N(C)C)N 271570a_100011290941_100020672572 [0,1,0,0,0,0|3,0,0]=4 2723 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,1,0,0,0,0|2,0,1]=4 2724 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,1,0,0,0,0|2,0,1]=4 2725 B12R1.453 CC(C)c1cc(ccc1O)C#N 271570a_203496583355_100021510006 [0,1,0,0,0,0|2,0,1]=4 2726 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [0,1,0,0,0,0|2,0,1]=4 2727 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [0,1,0,0,0,0|2,0,1]=4 2728 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,1,0,0,0,0|1,0,2]=4 2729 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,1,0,0,0,0|1,0,2]=4 2730 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,1,0,0,0,0|2,0,1]=4 2731 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,1,0,0,0,0|2,0,1]=4 2732 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,1,0,0,0,0|2,0,1]=4 2733 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [0,1,0,0,0,0|2,0,1]=4 2734 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [0,1,0,0,0,0|2,0,1]=4 2735 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [0,1,0,0,0,0|2,0,1]=4 2736 B12R1.453 O=Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068294 [0,1,0,0,0,0|3,0,0]=4 2737 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,1,0,0,0,0|2,0,1]=4 2738 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,1,0,0,0,0|2,0,1]=4 2739 B12R1.654 C=Cc1ccc(c(c1F)C#N)C 271570a_100011290941_100015641138 [0,1,0,0,0,0|3,0,0]=4 2740 B12R1.654 C=Cc1ccc(c(c1F)C#N)F 271570a_100011290941_100000062002 [0,1,0,0,0,0|3,0,0]=4 2741 B12R1.654 C=Cc1ccc(c(c1F)C#N)N 271570a_100011290941_100010169826 [0,1,0,0,0,0|3,0,0]=4 2742 B12R1.654 C=Cc1ccc(c(c1F)C=O)Br 271570a_100011290941_100010769263 [0,1,0,0,0,0|3,0,0]=4 2743 B12R1.654 C=Cc1ccc(c(c1F)C=O)Cl 271570a_100011290941_100010782290 [0,1,0,0,0,0|3,0,0]=4 2744 B12R1.654 C=Cc1ccc(c(c1F)C=O)F 271570a_100011290941_100000725362 [0,1,0,0,0,0|3,0,0]=4 2745 B12R1.654 C=Cc1ccc(c(c1F)CO)Br 271570a_100011290941_200010782277 [0,1,0,0,0,0|3,0,0]=4 2746 B12R1.654 C=Cc1ccc(c(c1F)CO)F 271570a_100011290941_100000725363 [0,1,0,0,0,0|3,0,0]=4 2747 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [0,1,0,0,0,0|1,0,0]=2 2748 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [0,1,0,0,0,0|1,0,0]=2 2749 B12R1.654 C=Cc1ccc(c(c1F)SC)F 271570a_100011290941_202125771753 [0,1,0,0,0,0|1,1,0]=3 2750 B12R1.654 C=Cc1cnc(c(c1C)C#N)O 271570a_100011290941_100010247100 [0,1,0,0,0,0|3,0,0]=4 2751 B12R1.654 CNc1ccc(c(c1F)OC)F 34a_100137314619_200000210301 [0,1,0,0,0,0|2,0,1]=4 2752 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [0,1,0,0,0,0|1,0,1]=3 2753 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [0,1,0,0,0,0|1,0,0]=2 2754 B12R1.654 COc1c(ccc(c1F)N[13CH3])F 34a_100137314619_200025704644 [0,1,0,0,0,0|2,0,1]=4 2755 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 34a_100000062073_200025704644 [0,1,0,0,0,0|2,0,1]=4 2756 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 7a_100000062073_200025704644 [0,1,0,0,0,0|2,0,1]=4 2757 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200000210301_200135222481 [0,1,0,0,0,0|2,0,1]=4 2758 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200135222481_200000210301 [0,1,0,0,0,0|2,0,1]=4 2759 B12R1.654 COc1c(ccc(c1F)SC)N 62a_100010734149_200000210301 [0,1,0,0,0,0|2,0,1]=4 2760 B12R1.654 COc1c(ccc(c1F)SC)N 62a_200000210301_100010734149 [0,1,0,0,0,0|2,0,1]=4 2761 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200025704644_200135222481 [0,1,0,0,0,0|2,0,1]=4 2762 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200135222481_200025704644 [0,1,0,0,0,0|2,0,1]=4 2763 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_100010734149_200025704644 [0,1,0,0,0,0|2,0,1]=4 2764 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_200025704644_100010734149 [0,1,0,0,0,0|2,0,1]=4 2765 B12R1.654 COc1ccc(c(c1Br)OC)Cl 34a_200020794976_200000210301 [0,1,0,0,0,0|2,0,1]=4 2766 B12R1.654 COc1ccc(c(c1Br)OC)Cl 7a_200020794976_200000210301 [0,1,0,0,0,0|2,0,1]=4 2767 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 34a_200020794976_200025704644 [0,1,0,0,0,0|2,0,1]=4 2768 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 7a_200020794976_200025704644 [0,1,0,0,0,0|2,0,1]=4 2769 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [0,1,0,0,0,0|1,0,1]=3 2770 B12R1.654 COc1ccc(c(c1Cl)OC)F 34a_200000061507_200000210301 [0,1,0,0,0,0|2,0,1]=4 2771 B12R1.654 COc1ccc(c(c1Cl)OC)F 7a_200000061507_200000210301 [0,1,0,0,0,0|2,0,1]=4 2772 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 34a_200000061507_200025704644 [0,1,0,0,0,0|2,0,1]=4 2773 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 7a_200000061507_200025704644 [0,1,0,0,0,0|2,0,1]=4 2774 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062056_200000210301 [0,1,0,0,0,0|2,0,1]=4 2775 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062073_200000210301 [0,1,0,0,0,0|2,0,1]=4 2776 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062056_200000210301 [0,1,0,0,0,0|2,0,1]=4 2777 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062073_200000210301 [0,1,0,0,0,0|2,0,1]=4 2778 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [0,1,0,0,0,0|1,0,1]=3 2779 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 34a_100000062056_200025704644 [0,1,0,0,0,0|2,0,1]=4 2780 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 7a_100000062056_200025704644 [0,1,0,0,0,0|2,0,1]=4 2781 B12R1.654 COc1ccc(c(c1F)SC)O 271570a_203496583355_200011099385 [0,1,0,0,0,0|1,1,1]=4 2782 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_100010381662_200000210301 [0,1,0,0,0,0|2,1,0]=4 2783 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_200000210301_100010381662 [0,1,0,0,0,0|2,1,0]=4 2784 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_100000050342_200000210301 [0,1,0,0,0,0|2,1,0]=4 2785 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_200000210301_100000050342 [0,1,0,0,0,0|2,1,0]=4 2786 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_100010381662_200025704644 [0,1,0,0,0,0|2,1,0]=4 2787 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_200025704644_100010381662 [0,1,0,0,0,0|2,1,0]=4 2788 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_100000050342_200025704644 [0,1,0,0,0,0|2,1,0]=4 2789 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_200025704644_100000050342 [0,1,0,0,0,0|2,1,0]=4 2790 B12R2.44 C=Cc1cc2c(cn1)CCN2 271570a_100011290941_100020639910 [0,0,0,1,0,0|3,0,0]=4 2791 B12R2.44 C=Cc1cc2c(cn1)NCC2 271570a_100011290941_100009884275 [0,0,0,1,0,0|3,0,0]=4 2792 B12R2.44 C=Cc1cc2c(cn1)OCC2 271570a_100011290941_102495363667 [0,0,0,1,0,0|2,0,0]=3 2793 B12R2.44 C=Cc1ccc2[nH]ccc2c1 271570a_100011290941_100000211741 [0,0,0,1,0,0|2,0,1]=4 2794 B12R2.44 C=Cc1ccc2[nH]cnc2c1 271570a_100011290941_100011265325 [0,0,0,1,0,0|2,0,1]=4 2795 B12R2.44 C=Cc1ccc2[nH]ncc2c1 271570a_100011290941_100000049815 [0,0,0,1,0,0|3,0,0]=4 2796 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [0,0,0,1,0,0|2,0,1]=4 2797 B12R2.44 C=Cc1ccc2c(c1)CC=C2 271570a_100011290941_200009818231 [0,0,0,1,0,0|2,0,1]=4 2798 B12R2.44 C=Cc1ccc2c(c1)CCC2 271570a_100011290941_100000745594 [0,0,0,1,0,0|2,0,0]=3 2799 B12R2.44 C=Cc1ccc2c(c1)CCN2 271570a_100011290941_100000026929 [0,0,0,1,0,0|2,0,0]=3 2800 B12R2.44 C=Cc1ccc2c(c1)CCO2 271570a_100011290941_100000729065 [0,0,0,1,0,0|1,0,0]=2 2801 B12R2.44 C=Cc1ccc2c(c1)CNC2 271570a_100011290941_100000702344 [0,0,0,1,0,0|3,0,0]=4 2802 B12R2.44 C=Cc1ccc2c(c1)COC2 271570a_100011290941_100000698232 [0,0,0,1,0,0|3,0,0]=4 2803 B12R2.44 C=Cc1ccc2c(c1)NCC2 271570a_100011290941_100000754641 [0,0,0,1,0,0|2,0,0]=3 2804 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [0,0,0,1,0,0|1,0,0]=2 2805 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [0,0,0,1,0,0|0,0,0]=1 2806 B12R2.44 C=Cc1ccc2c(n1)CCC2 271570a_100011290941_100000046531 [0,0,0,1,0,0|3,0,0]=4 2807 B12R2.44 C=Cc1ccc2c(n1)CCN2 271570a_100011290941_100009872833 [0,0,0,1,0,0|3,0,0]=4 2808 B12R2.44 C=Cc1ccc2cc[nH]c2c1 271570a_100011290941_100000743809 [0,0,0,1,0,0|2,0,1]=4 2809 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [0,0,0,1,0,0|1,0,1]=3 2810 B12R2.44 C=Cc1ccc2ccsc2c1 271570a_100011290941_100009888917 [0,0,0,1,0,0|1,1,1]=4 2811 B12R2.44 C=Cc1ccc2cn[nH]c2c1 271570a_100011290941_100000049514 [0,0,0,1,0,0|3,0,0]=4 2812 B12R2.44 C=Cc1ccc2cnoc2c1 271570a_100011290941_100009817722 [0,0,0,1,0,0|2,0,0]=3 2813 B12R2.44 C=Cc1ccc2cscc2c1 271570a_100011290941_200010760811 [0,0,0,1,0,0|3,0,0]=4 2814 B12R2.44 C=Cc1ccc2csnc2c1 271570a_100011290941_100010170880 [0,0,0,1,0,0|3,0,0]=4 2815 B12R2.44 C=Cc1ccc2ncoc2c1 271570a_100011290941_100009817590 [0,0,0,1,0,0|1,0,1]=3 2816 B12R2.44 C=Cc1ccc2ncsc2c1 271570a_100011290941_100009816678 [0,0,0,1,0,0|1,1,1]=4 2817 B12R2.44 C=Cc1ccc2nn[nH]c2c1 271570a_100011290941_100009817464 [0,0,0,1,0,0|3,0,0]=4 2818 B12R2.44 C=Cc1ccc2nonc2c1 271570a_100011290941_100009814275 [0,0,0,1,0,0|3,0,0]=4 2819 B12R2.44 C=Cc1ccc2nsnc2c1 271570a_100011290941_100009814274 [0,0,0,1,0,0|3,0,0]=4 2820 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [0,0,0,1,0,0|1,0,1]=3 2821 B12R2.44 C=Cc1ccc2occc2n1 271570a_100011290941_100009851292 [0,0,0,1,0,0|2,0,1]=4 2822 B12R2.44 C=Cc1ccc2ocnc2c1 271570a_100011290941_100009816175 [0,0,0,1,0,0|1,0,1]=3 2823 B12R2.44 C=Cc1ccc2oncc2c1 271570a_100011290941_100009817723 [0,0,0,1,0,0|2,0,0]=3 2824 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [0,0,0,1,0,0|1,1,1]=4 2825 B12R2.44 C=Cc1ccc2scnc2c1 271570a_100011290941_100010005895 [0,0,0,1,0,0|1,1,1]=4 2826 B12R2.44 C=Cc1cnc2c(c1)CCC2 271570a_100011290941_100000693888 [0,0,0,1,0,0|3,0,0]=4 2827 B12R2.44 C=Cc1cnc2c(c1)CCN2 271570a_100011290941_100009817725 [0,0,0,1,0,0|3,0,0]=4 2828 B12R2.44 C=Cc1cnc2c(c1)NCC2 271570a_100011290941_100000698607 [0,0,0,1,0,0|3,0,0]=4 2829 B12R2.44 C=Cc1cnc2ncoc2c1 271570a_100011290941_100000721906 [0,0,0,1,0,0|2,0,1]=4 2830 B12R2.44 CNc1ccc2c(c1)CCO2 2230a_100000736984_200000210301 [0,0,0,1,0,0|2,0,1]=4 2831 B12R2.44 CNc1ccc2c(c1)CCO2 34a_100000736984_200000210301 [0,0,0,1,0,0|2,0,1]=4 2832 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [0,0,0,1,0,0|1,0,1]=3 2833 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [0,0,0,1,0,0|1,0,1]=3 2834 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [0,0,0,1,0,0|1,0,1]=3 2835 B12R2.44 CSc1ccc2c(c1)CCO2 62a_100000729065_200000210301 [0,0,0,1,0,0|2,0,1]=4 2836 B12R2.44 CSc1ccc2c(c1)CCO2 62a_200000210301_100000729065 [0,0,0,1,0,0|2,0,1]=4 2837 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,0,0,1,0,0|2,0,1]=4 2838 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,0,0,1,0,0|2,0,1]=4 2839 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 2230a_100000736984_200025704644 [0,0,0,1,0,0|2,0,1]=4 2840 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 34a_100000736984_200025704644 [0,0,0,1,0,0|2,0,1]=4 2841 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [0,0,0,1,0,0|1,0,1]=3 2842 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [0,0,0,1,0,0|1,0,1]=3 2843 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [0,0,0,1,0,0|1,0,1]=3 2844 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_100000729065_200025704644 [0,0,0,1,0,0|2,0,1]=4 2845 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_200025704644_100000729065 [0,0,0,1,0,0|2,0,1]=4 2846 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,0,0,1,0,0|2,0,1]=4 2847 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,0,0,1,0,0|2,0,1]=4 2848 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [2,0,0,0,0,0|1,0,0]=3 2849 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [2,0,0,0,0,0|2,0,0]=4 2850 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [2,0,0,0,0,0|2,0,0]=4 2851 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [2,0,0,0,0,0|2,0,0]=4 2852 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [2,0,0,0,0,0|1,0,0]=3 2853 B9R1.2 C=Cc1cc(cnn1)C 271570a_100011290941_100000070100 [2,0,0,0,0,0|2,0,0]=4 2854 B9R1.2 C=Cc1cc(cnn1)O 271570a_100011290941_200010734679 [2,0,0,0,0,0|2,0,0]=4 2855 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [2,0,0,0,0,0|2,0,0]=4 2856 B9R1.2 C=Cc1cc(ncn1)O 271570a_100011290941_100000765262 [2,0,0,0,0,0|2,0,0]=4 2857 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [2,0,0,0,0,0|1,0,1]=4 2858 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [2,0,0,0,0,0|1,0,0]=3 2859 B9R1.2 C=Cc1ccc[n+](c1)[O-] 271570a_100011290941_100009815978 [2,0,0,0,0,0|1,0,1]=4 2860 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [2,0,0,0,0,0|1,0,1]=4 2861 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [2,0,0,0,0,0|1,0,0]=3 2862 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [2,0,0,0,0,0|0,0,0]=2 2863 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [2,0,0,0,0,0|1,0,0]=3 2864 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [2,0,0,0,0,0|1,0,0]=3 2865 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [2,0,0,0,0,0|1,0,0]=3 2866 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,0,0,0,0,0|0,0,0]=2 2867 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [2,0,0,0,0,0|0,1,0]=3 2868 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [2,0,0,0,0,0|2,0,0]=4 2869 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [2,0,0,0,0,0|1,0,0]=3 2870 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [2,0,0,0,0,0|2,0,0]=4 2871 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [2,0,0,0,0,0|2,0,0]=4 2872 B9R1.2 C=Cc1ccnc(c1)Br 271570a_100011290941_100009814637 [2,0,0,0,0,0|2,0,0]=4 2873 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [2,0,0,0,0,0|1,0,0]=3 2874 B9R1.2 C=Cc1ccnc(c1)Cl 271570a_100011290941_100000035001 [2,0,0,0,0,0|2,0,0]=4 2875 B9R1.2 C=Cc1ccnc(c1)F 271570a_100011290941_100009816116 [2,0,0,0,0,0|2,0,0]=4 2876 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [2,0,0,0,0,0|2,0,0]=4 2877 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [2,0,0,0,0,0|2,0,0]=4 2878 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [2,0,0,0,0,0|2,0,0]=4 2879 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [2,0,0,0,0,0|1,0,0]=3 2880 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [2,0,0,0,0,0|2,0,0]=4 2881 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [2,0,0,0,0,0|2,0,0]=4 2882 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [2,0,0,0,0,0|2,0,0]=4 2883 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [2,0,0,0,0,0|1,0,0]=3 2884 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [2,0,0,0,0,0|2,0,0]=4 2885 B9R1.2 C=Cc1cncc(n1)O 271570a_100011290941_100011269956 [2,0,0,0,0,0|2,0,0]=4 2886 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [2,0,0,0,0,0|2,0,0]=4 2887 B9R1.2 C=Cc1nccc(n1)O 271570a_100011290941_100011649813 [2,0,0,0,0,0|2,0,0]=4 2888 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [2,0,0,0,0,0|0,0,2]=4 2889 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [2,0,0,0,0,0|2,0,0]=4 2890 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [2,0,0,0,0,0|1,0,1]=4 2891 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [2,0,0,0,0,0|1,0,1]=4 2892 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [2,0,0,0,0,0|2,0,0]=4 2893 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [2,0,0,0,0,0|2,0,0]=4 2894 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [2,0,0,0,0,0|2,0,0]=4 2895 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [2,0,0,0,0,0|1,0,1]=4 2896 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,1]=4 2897 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [2,0,0,0,0,0|2,0,0]=4 2898 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [2,0,0,0,0,0|2,0,0]=4 2899 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [2,0,0,0,0,0|2,0,0]=4 2900 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [2,0,0,0,0,0|2,0,0]=4 2901 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [2,0,0,0,0,0|2,0,0]=4 2902 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 2903 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 2904 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [2,0,0,0,0,0|0,0,1]=3 2905 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [2,0,0,0,0,0|0,0,1]=3 2906 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 2907 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 2908 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 2909 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 2910 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 2911 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 2912 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,0]=3 2913 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [2,0,0,0,0,0|1,0,0]=3 2914 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [2,0,0,0,0,0|2,0,0]=4 2915 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [2,0,0,0,0,0|2,0,0]=4 2916 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [2,0,0,0,0,0|1,0,1]=4 2917 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2918 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [2,0,0,0,0,0|2,0,0]=4 2919 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [2,0,0,0,0,0|2,0,0]=4 2920 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [2,0,0,0,0,0|2,0,0]=4 2921 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 2922 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 2923 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [2,0,0,0,0,0|1,0,1]=4 2924 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [2,0,0,0,0,0|1,0,1]=4 2925 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [2,0,0,0,0,0|2,0,0]=4 2926 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 2927 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 2928 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [2,0,0,0,0,0|2,0,0]=4 2929 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [2,0,0,0,0,0|2,0,0]=4 2930 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [2,0,0,0,0,0|1,1,0]=4 2931 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [2,0,0,0,0,0|1,1,0]=4 2932 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [2,0,0,0,0,0|0,1,1]=4 2933 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [2,0,0,0,0,0|0,1,1]=4 2934 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [2,0,0,0,0,0|1,1,0]=4 2935 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [2,0,0,0,0,0|1,1,0]=4 2936 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [2,0,0,0,0,0|1,1,0]=4 2937 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [2,0,0,0,0,0|1,1,0]=4 2938 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [2,0,0,0,0,0|1,1,0]=4 2939 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [2,0,0,0,0,0|1,1,0]=4 2940 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [2,0,0,0,0,0|1,0,1]=4 2941 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [2,0,0,0,0,0|1,0,1]=4 2942 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [2,0,0,0,0,0|1,1,0]=4 2943 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [2,0,0,0,0,0|1,1,0]=4 2944 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [2,0,0,0,0,0|1,0,1]=4 2945 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [2,0,0,0,0,0|1,0,1]=4 2946 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [2,0,0,0,0,0|1,0,1]=4 2947 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [2,0,0,0,0,0|0,0,1]=3 2948 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [2,0,0,0,0,0|0,0,1]=3 2949 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [2,0,0,0,0,0|0,1,1]=4 2950 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [2,0,0,0,0,0|0,1,1]=4 2951 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [2,0,0,0,0,0|1,0,1]=4 2952 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [2,0,0,0,0,0|1,0,1]=4 2953 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [2,0,0,0,0,0|1,0,1]=4 2954 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [2,0,0,0,0,0|1,0,1]=4 2955 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [2,0,0,0,0,0|2,0,0]=4 2956 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [2,0,0,0,0,0|2,0,0]=4 2957 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|1,0,0]=3 2958 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [2,0,0,0,0,0|2,0,0]=4 2959 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [2,0,0,0,0,0|2,0,0]=4 2960 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [2,0,0,0,0,0|2,0,0]=4 2961 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,0,0,0,0,0|1,0,1]=4 2962 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [2,0,0,0,0,0|1,0,1]=4 2963 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [2,0,0,0,0,0|2,0,0]=4 2964 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [2,0,0,0,0,0|2,0,0]=4 2965 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [2,0,0,0,0,0|2,0,0]=4 2966 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [2,0,0,0,0,0|2,0,0]=4 2967 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,1]=4 2968 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [2,0,0,0,0,0|2,0,0]=4 2969 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [2,0,0,0,0,0|2,0,0]=4 2970 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [2,0,0,0,0,0|2,0,0]=4 2971 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [2,0,0,0,0,0|2,0,0]=4 2972 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 2973 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 2974 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 2975 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 2976 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 2977 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 2978 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 2979 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 2980 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,0]=3 2981 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [2,0,0,0,0,0|2,0,0]=4 2982 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2983 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [2,0,0,0,0,0|2,0,0]=4 2984 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [2,0,0,0,0,0|2,0,0]=4 2985 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 2986 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 2987 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [2,0,0,0,0,0|2,0,0]=4 2988 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 2989 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 2990 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [2,0,0,0,0,0|2,0,0]=4 2991 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [2,0,0,0,0,0|1,1,0]=4 2992 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [2,0,0,0,0,0|1,1,0]=4 2993 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [2,0,0,0,0,0|1,1,0]=4 2994 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [2,0,0,0,0,0|1,1,0]=4 2995 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [2,0,0,0,0,0|1,1,0]=4 2996 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [2,0,0,0,0,0|1,1,0]=4 2997 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [2,0,0,0,0,0|1,1,0]=4 2998 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [2,0,0,0,0,0|1,1,0]=4 2999 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [2,0,0,0,0,0|1,0,1]=4 3000 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [2,0,0,0,0,0|1,1,0]=4 3001 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [2,0,0,0,0,0|1,1,0]=4 3002 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|1,0,1]=4 3003 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,0]=3 3004 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [2,0,0,0,0,0|2,0,0]=4 3005 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [2,0,0,0,0,0|2,0,0]=4 3006 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|2,0,0]=4 3007 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,0,0,0,0,0|2,0,0]=4 3008 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,0,0,0,0,0|2,0,0]=4 3009 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,0,0,0,0,0|2,0,0]=4 3010 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,0,0,0,0,0|2,0,0]=4 3011 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,0,0,0,0,0|2,0,0]=4 3012 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|1,0,0]=3 3013 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 3014 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [2,0,0,0,0,0|2,0,0]=4 3015 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [2,0,0,0,0,0|2,0,0]=4 3016 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [2,0,0,0,0,0|2,0,0]=4 3017 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [2,0,0,0,0,0|1,0,1]=4 3018 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [2,0,0,0,0,0|1,0,0]=3 3019 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [2,0,0,0,0,0|1,0,0]=3 3020 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,0,0,0,0,0|1,0,0]=3 3021 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,0,0,0,0,0|1,0,0]=3 3022 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 3023 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 3024 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [2,0,0,0,0,0|1,0,0]=3 3025 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [2,0,0,0,0,0|1,0,0]=3 3026 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 3027 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 3028 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 3029 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 3030 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|0,0,0]=2 3031 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 3032 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 3033 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 3034 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 3035 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 3036 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 3037 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 3038 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 3039 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 3040 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 3041 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 3042 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 3043 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [2,0,0,0,0,0|1,0,0]=3 3044 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [2,0,0,0,0,0|1,0,1]=4 3045 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [2,0,0,0,0,0|1,0,1]=4 3046 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [2,0,0,0,0,0|2,0,0]=4 3047 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [2,0,0,0,0,0|2,0,0]=4 3048 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [2,0,0,0,0,0|2,0,0]=4 3049 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [2,0,0,0,0,0|2,0,0]=4 3050 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [2,0,0,0,0,0|1,0,0]=3 3051 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [2,0,0,0,0,0|2,0,0]=4 3052 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [2,0,0,0,0,0|2,0,0]=4 3053 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [2,0,0,0,0,0|2,0,0]=4 3054 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [2,0,0,0,0,0|2,0,0]=4 3055 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [2,0,0,0,0,0|2,0,0]=4 3056 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [2,0,0,0,0,0|1,0,0]=3 3057 B9R1.15 COc1cncnc1O 271570a_203496583355_100012001275 [2,0,0,0,0,0|2,0,0]=4 3058 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [2,0,0,0,0,0|1,0,1]=4 3059 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [2,0,0,0,0,0|2,0,0]=4 3060 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [2,0,0,0,0,0|2,0,0]=4 3061 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [2,0,0,0,0,0|2,0,0]=4 3062 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [2,0,0,0,0,0|1,0,0]=3 3063 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [2,0,0,0,0,0|2,0,0]=4 3064 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [2,0,0,0,0,0|2,0,0]=4 3065 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [2,0,0,0,0,0|1,1,0]=4 3066 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [2,0,0,0,0,0|1,1,0]=4 3067 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [2,0,0,0,0,0|1,1,0]=4 3068 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [2,0,0,0,0,0|1,1,0]=4 3069 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [2,0,0,0,0,0|1,1,0]=4 3070 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [2,0,0,0,0,0|1,1,0]=4 3071 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [2,0,0,0,0,0|1,1,0]=4 3072 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [2,0,0,0,0,0|1,1,0]=4 3073 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [2,0,0,0,0,0|1,1,0]=4 3074 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [2,0,0,0,0,0|1,1,0]=4 3075 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|0,1,0]=3 3076 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|0,1,0]=3 3077 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|0,1,0]=3 3078 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [2,0,0,0,0,0|1,1,0]=4 3079 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [2,0,0,0,0,0|1,1,0]=4 3080 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [2,0,0,0,0,0|1,1,0]=4 3081 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [2,0,0,0,0,0|1,1,0]=4 3082 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [2,0,0,0,0,0|1,1,0]=4 3083 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [2,0,0,0,0,0|1,1,0]=4 3084 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [2,0,0,0,0,0|1,1,0]=4 3085 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,0,0,0,0,0|2,0,0]=4 3086 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,0,0,0,0,0|1,0,0]=3 3087 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,0,0,0,0,0|1,0,0]=3 3088 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [2,0,0,0,0,0|1,1,0]=4 3089 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [2,0,0,0,0,0|1,1,0]=4 3090 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [2,0,0,0,0,0|2,0,0]=4 3091 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [2,0,0,0,0,0|2,0,0]=4 3092 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [2,0,0,0,0,0|2,0,0]=4 3093 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 3094 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 3095 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|2,0,0]=4 3096 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|2,0,0]=4 3097 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|2,0,0]=4 3098 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|2,0,0]=4 3099 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|2,0,0]=4 3100 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,0,0,0,0,0|2,0,0]=4 3101 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,0,0,0,0,0|2,0,0]=4 3102 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,0,0,0,0,0|2,0,0]=4 3103 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,0,0,0,0,0|2,0,0]=4 3104 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 3105 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [2,0,0,0,0,0|1,0,1]=4 3106 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [2,0,0,0,0,0|1,0,0]=3 3107 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [2,0,0,0,0,0|1,0,0]=3 3108 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 3109 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 3110 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [2,0,0,0,0,0|1,0,0]=3 3111 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [2,0,0,0,0,0|1,0,0]=3 3112 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 3113 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 3114 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 3115 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 3116 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 3117 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 3118 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 3119 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 3120 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 3121 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 3122 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 3123 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 3124 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 3125 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 3126 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [2,0,0,0,0,0|1,0,1]=4 3127 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [2,0,0,0,0,0|1,0,1]=4 3128 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [2,0,0,0,0,0|2,0,0]=4 3129 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [2,0,0,0,0,0|2,0,0]=4 3130 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [2,0,0,0,0,0|2,0,0]=4 3131 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [2,0,0,0,0,0|2,0,0]=4 3132 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [2,0,0,0,0,0|2,0,0]=4 3133 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [2,0,0,0,0,0|2,0,0]=4 3134 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [2,0,0,0,0,0|1,0,1]=4 3135 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [2,0,0,0,0,0|2,0,0]=4 3136 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [2,0,0,0,0,0|2,0,0]=4 3137 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [2,0,0,0,0,0|2,0,0]=4 3138 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [2,0,0,0,0,0|1,1,0]=4 3139 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [2,0,0,0,0,0|1,1,0]=4 3140 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [2,0,0,0,0,0|1,1,0]=4 3141 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [2,0,0,0,0,0|1,1,0]=4 3142 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [2,0,0,0,0,0|1,1,0]=4 3143 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [2,0,0,0,0,0|1,1,0]=4 3144 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [2,0,0,0,0,0|1,1,0]=4 3145 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [2,0,0,0,0,0|1,1,0]=4 3146 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|0,1,0]=3 3147 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|0,1,0]=3 3148 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [2,0,0,0,0,0|1,1,0]=4 3149 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [2,0,0,0,0,0|1,1,0]=4 3150 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [2,0,0,0,0,0|1,1,0]=4 3151 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [2,0,0,0,0,0|1,1,0]=4 3152 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [2,0,0,0,0,0|1,1,0]=4 3153 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [2,0,0,0,0,0|1,1,0]=4 3154 B9R1.69 Cc1c[n+](ccc1O)[O-] 271570a_203496583355_100000074940 [2,0,0,0,0,0|2,0,0]=4 3155 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [2,0,0,0,0,0|1,0,1]=4 3156 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [2,0,0,0,0,0|1,0,1]=4 3157 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [2,0,0,0,0,0|1,0,1]=4 3158 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [2,0,0,0,0,0|2,0,0]=4 3159 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [2,0,0,0,0,0|2,0,0]=4 3160 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [2,0,0,0,0,0|2,0,0]=4 3161 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [2,0,0,0,0,0|2,0,0]=4 3162 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,0,0,0,0,0|1,0,0]=3 3163 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,0,0,0,0,0|1,0,0]=3 3164 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,0,0,0,0,0|1,0,0]=3 3165 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,0,0,0,0,0|1,0,0]=3 3166 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|1,0,0]=3 3167 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|1,0,0]=3 3168 B9R1.69 Cc1cc(cnc1O)Br 271570a_203496583355_100012353652 [2,0,0,0,0,0|2,0,0]=4 3169 B9R1.69 Cc1cc(cnc1O)F 271570a_203496583355_100009817009 [2,0,0,0,0,0|2,0,0]=4 3170 B9R1.69 Cc1cc(cnc1O)N 271570a_203496583355_100000761747 [2,0,0,0,0,0|2,0,0]=4 3171 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100000685391 [2,0,0,0,0,0|2,0,0]=4 3172 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100012000486 [2,0,0,0,0,0|2,0,0]=4 3173 B9R1.69 Cc1cc(ncc1O)Br 271570a_203496583355_100009816104 [2,0,0,0,0,0|2,0,0]=4 3174 B9R1.69 Cc1cc(ncc1O)Cl 271570a_203496583355_100010172789 [2,0,0,0,0,0|2,0,0]=4 3175 B9R1.69 Cc1cc(ncc1O)F 271570a_203496583355_100009820716 [2,0,0,0,0,0|2,0,0]=4 3176 B9R1.69 Cc1cc(ncc1O)N 271570a_203496583355_100000050067 [2,0,0,0,0,0|2,0,0]=4 3177 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100000692680 [2,0,0,0,0,0|2,0,0]=4 3178 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100010114363 [2,0,0,0,0,0|2,0,0]=4 3179 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,0,0,0,0,0|1,0,1]=4 3180 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|0,0,1]=3 3181 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,0,0,0,0,0|1,0,1]=4 3182 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,0,0,0,0,0|1,0,1]=4 3183 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,0,0,0,0,0|1,0,1]=4 3184 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,0,0,0,0,0|1,0,1]=4 3185 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|1,0,1]=4 3186 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,0,0,0,0,0|1,0,1]=4 3187 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,0,0,0,0,0|1,0,1]=4 3188 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,0,0,0,0,0|1,0,1]=4 3189 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,0,0,0,0,0|0,0,1]=3 3190 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,0,0,0,0,0|0,0,1]=3 3191 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [2,0,0,0,0,0|1,0,1]=4 3192 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [2,0,0,0,0,0|1,0,1]=4 3193 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [2,0,0,0,0,0|1,0,1]=4 3194 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [2,0,0,0,0,0|2,0,0]=4 3195 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [2,0,0,0,0,0|2,0,0]=4 3196 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [2,0,0,0,0,0|2,0,0]=4 3197 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [2,0,0,0,0,0|2,0,0]=4 3198 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [2,0,0,0,0,0|2,0,0]=4 3199 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [2,0,0,0,0,0|2,0,0]=4 3200 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [2,0,0,0,0,0|2,0,0]=4 3201 B9R1.69 Cc1cnc(c(c1)C)O 271570a_203496583355_100009864548 [2,0,0,0,0,0|1,0,1]=4 3202 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [2,0,0,0,0,0|1,0,1]=4 3203 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [2,0,0,0,0,0|1,0,1]=4 3204 B9R1.69 Cc1nc(ccc1O)Cl 271570a_203496583355_100000062408 [2,0,0,0,0,0|2,0,0]=4 3205 B9R1.69 Cc1nc(ccc1O)F 271570a_203496583355_100000688911 [2,0,0,0,0,0|2,0,0]=4 3206 B9R1.69 Cc1nc(ccc1O)N 271570a_203496583355_100000013003 [2,0,0,0,0,0|2,0,0]=4 3207 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100000691680 [2,0,0,0,0,0|2,0,0]=4 3208 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100010233687 [2,0,0,0,0,0|2,0,0]=4 3209 B9R1.69 Nc1cc(ccc1O)Br 271570a_203496583355_100000743836 [2,0,0,0,0,0|2,0,0]=4 3210 B9R1.69 Nc1cc(ccc1O)Cl 271570a_203496583355_100000761886 [2,0,0,0,0,0|2,0,0]=4 3211 B9R1.69 Nc1cc(ccc1O)F 271570a_203496583355_100011218093 [2,0,0,0,0,0|2,0,0]=4 3212 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|2,0,0]=4 3213 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|2,0,0]=4 3214 B9R1.69 Nc1ccc(c(c1)Br)O 271570a_203496583355_100000750458 [2,0,0,0,0,0|2,0,0]=4 3215 B9R1.69 Nc1ccc(c(c1)Cl)O 271570a_203496583355_100000761885 [2,0,0,0,0,0|2,0,0]=4 3216 B9R1.69 Nc1ccc(c(c1)F)O 271570a_203496583355_100011356925 [2,0,0,0,0,0|2,0,0]=4 3217 B9R1.69 Nc1ccc(c(c1)N)O 271570a_203496583355_200012175722 [2,0,0,0,0,0|2,0,0]=4 3218 B9R1.69 Nc1ccc(c(c1)O)Br 271570a_203496583355_100000750459 [2,0,0,0,0,0|2,0,0]=4 3219 B9R1.69 Nc1ccc(c(c1)O)Cl 271570a_203496583355_100012360549 [2,0,0,0,0,0|2,0,0]=4 3220 B9R1.69 Nc1ccc(c(c1)O)F 271570a_203496583355_100000760356 [2,0,0,0,0,0|2,0,0]=4 3221 B9R1.69 Nc1ccc(c(c1)O)N 271570a_203496583355_100011534242 [2,0,0,0,0,0|2,0,0]=4 3222 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [2,0,0,0,0,0|1,0,0]=3 3223 B9R1.69 Nc1ccc(cc1O)Br 271570a_203496583355_100000187925 [2,0,0,0,0,0|2,0,0]=4 3224 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [2,0,0,0,0,0|2,0,0]=4 3225 B9R1.69 Nc1ccc(cc1O)F 271570a_203496583355_100000760547 [2,0,0,0,0,0|2,0,0]=4 3226 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [2,0,0,0,0,0|2,0,0]=4 3227 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [2,0,0,0,0,0|2,0,0]=4 3228 B9R1.69 Oc1cc(ccc1Br)Br 271570a_203496583355_100011483371 [2,0,0,0,0,0|2,0,0]=4 3229 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [2,0,0,0,0,0|2,0,0]=4 3230 B9R1.69 Oc1cc(ccc1Br)F 271570a_203496583355_100011217576 [2,0,0,0,0,0|2,0,0]=4 3231 B9R1.69 Oc1cc(ccc1Cl)Br 271570a_203496583355_100011772130 [2,0,0,0,0,0|2,0,0]=4 3232 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [2,0,0,0,0,0|2,0,0]=4 3233 B9R1.69 Oc1cc(ccc1Cl)F 271570a_203496583355_100011217299 [2,0,0,0,0,0|2,0,0]=4 3234 B9R1.69 Oc1cc(ccc1F)Br 271570a_203496583355_100011217312 [2,0,0,0,0,0|2,0,0]=4 3235 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [2,0,0,0,0,0|2,0,0]=4 3236 B9R1.69 Oc1cc(ccc1F)F 271570a_203496583355_100000750033 [2,0,0,0,0,0|2,0,0]=4 3237 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010197142 [2,0,0,0,0,0|2,0,0]=4 3238 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010210634 [2,0,0,0,0,0|2,0,0]=4 3239 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010188700 [2,0,0,0,0,0|2,0,0]=4 3240 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010233512 [2,0,0,0,0,0|2,0,0]=4 3241 B9R1.69 Oc1cc(cnc1O)F 271570a_203496583355_100000079967 [2,0,0,0,0,0|2,0,0]=4 3242 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|2,0,0]=4 3243 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|2,0,0]=4 3244 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|2,0,0]=4 3245 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|2,0,0]=4 3246 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|2,0,0]=4 3247 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|2,0,0]=4 3248 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [2,0,0,0,0,0|2,0,0]=4 3249 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [2,0,0,0,0,0|2,0,0]=4 3250 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [2,0,0,0,0,0|2,0,0]=4 3251 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [2,0,0,0,0,0|2,0,0]=4 3252 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [2,0,0,0,0,0|2,0,0]=4 3253 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [2,0,0,0,0,0|2,0,0]=4 3254 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|1,0,0]=3 3255 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|1,0,0]=3 3256 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|1,0,0]=3 3257 B9R1.69 Oc1ccc(cc1Br)Br 271570a_203496583355_100011484698 [2,0,0,0,0,0|2,0,0]=4 3258 B9R1.69 Oc1ccc(cc1Br)Cl 271570a_203496583355_100011219703 [2,0,0,0,0,0|2,0,0]=4 3259 B9R1.69 Oc1ccc(cc1Br)F 271570a_203496583355_100011217111 [2,0,0,0,0,0|2,0,0]=4 3260 B9R1.69 Oc1ccc(cc1Cl)Br 271570a_203496583355_100011216062 [2,0,0,0,0,0|2,0,0]=4 3261 B9R1.69 Oc1ccc(cc1Cl)Cl 271570a_203496583355_100000699841 [2,0,0,0,0,0|2,0,0]=4 3262 B9R1.69 Oc1ccc(cc1Cl)F 271570a_203496583355_100000733362 [2,0,0,0,0,0|2,0,0]=4 3263 B9R1.69 Oc1ccc(cc1F)Br 271570a_203496583355_100009814013 [2,0,0,0,0,0|2,0,0]=4 3264 B9R1.69 Oc1ccc(cc1F)Cl 271570a_203496583355_100011216042 [2,0,0,0,0,0|2,0,0]=4 3265 B9R1.69 Oc1ccc(cc1F)F 271570a_203496583355_100000750030 [2,0,0,0,0,0|2,0,0]=4 3266 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [2,0,0,0,0,0|1,0,0]=3 3267 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [2,0,0,0,0,0|1,0,0]=3 3268 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [2,0,0,0,0,0|1,0,0]=3 3269 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [2,0,0,0,0,0|1,0,0]=3 3270 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [2,0,0,0,0,0|1,0,0]=3 3271 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [2,0,0,0,0,0|1,0,0]=3 3272 B9R1.69 Oc1ccc(nc1O)Br 271570a_203496583355_100010253912 [2,0,0,0,0,0|2,0,0]=4 3273 B9R1.69 Oc1ccc(nc1O)Cl 271570a_203496583355_100000696390 [2,0,0,0,0,0|2,0,0]=4 3274 B9R1.69 Oc1ccc(nc1O)F 271570a_203496583355_100010382442 [2,0,0,0,0,0|2,0,0]=4 3275 B9R1.69 Oc1cnc(cc1O)Cl 271570a_203496583355_100000698892 [2,0,0,0,0,0|2,0,0]=4 3276 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [2,0,0,0,0,0|1,0,1]=4 3277 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [2,0,0,0,0,0|1,0,1]=4 3278 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|1,0,0]=3 3279 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|1,0,0]=3 3280 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|1,0,0]=3 3281 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|1,0,0]=3 3282 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|1,0,0]=3 3283 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|0,0,0]=2 3284 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [2,0,0,0,0,0|2,0,0]=4 3285 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [2,0,0,0,0,0|2,0,0]=4 3286 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [2,0,0,0,0,0|2,0,0]=4 3287 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [2,0,0,0,0,0|2,0,0]=4 3288 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [2,0,0,0,0,0|2,0,0]=4 3289 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,0,0,0,0,0|1,0,0]=3 3290 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [2,0,0,0,0,0|2,0,0]=4 3291 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [2,0,0,0,0,0|2,0,0]=4 3292 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [2,0,0,0,0,0|2,0,0]=4 3293 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [2,0,0,0,0,0|2,0,0]=4 3294 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [2,0,0,0,0,0|2,0,0]=4 3295 B9R1.1 C=Cc1ncc(cn1)O 271570a_100011290941_100000730009 [2,0,0,0,0,0|2,0,0]=4 3296 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|0,0,2]=4 3297 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,1]=4 3298 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,1]=4 3299 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|1,0,1]=4 3300 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|1,0,1]=4 3301 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|1,0,1]=4 3302 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 3303 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,1]=4 3304 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 3305 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|1,0,0]=3 3306 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|2,0,0]=4 3307 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|2,0,0]=4 3308 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,1]=4 3309 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,1]=4 3310 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,1]=4 3311 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|1,0,1]=4 3312 B11R1.8 CCc1cc(cc(c1O)C)O 271570a_203496583355_100010659108 [1,1,0,0,0,0|2,0,0]=4 3313 B11R1.8 CNc1cc(cc(c1O)Br)Br 34a_100010781877_200000210301 [1,1,0,0,0,0|2,0,0]=4 3314 B11R1.8 CNc1cc(cc(c1O)Br)Cl 34a_106741647128_200000210301 [1,1,0,0,0,0|2,0,0]=4 3315 B11R1.8 CNc1cc(cc(c1O)Br)F 34a_200011217456_200000210301 [1,1,0,0,0,0|2,0,0]=4 3316 B11R1.8 CNc1cc(cc(c1O)C)Br 34a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3317 B11R1.8 CNc1cc(cc(c1O)C)Br 7a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3318 B11R1.8 CNc1cc(cc(c1O)C)C 34a_100011216242_200000210301 [1,1,0,0,0,0|1,0,1]=4 3319 B11R1.8 CNc1cc(cc(c1O)C)C 7a_100011216242_200000210301 [1,1,0,0,0,0|1,0,1]=4 3320 B11R1.8 CNc1cc(cc(c1O)C)F 34a_100000130126_200000210301 [1,1,0,0,0,0|2,0,0]=4 3321 B11R1.8 CNc1cc(cc(c1O)C)F 7a_100000130126_200000210301 [1,1,0,0,0,0|2,0,0]=4 3322 B11R1.8 CNc1cc(cc(c1O)Cl)Br 34a_100000694353_200000210301 [1,1,0,0,0,0|2,0,0]=4 3323 B11R1.8 CNc1cc(cc(c1O)Cl)Cl 34a_100000695819_200000210301 [1,1,0,0,0,0|2,0,0]=4 3324 B11R1.8 CNc1cc(cc(c1O)F)Br 34a_100011217383_200000210301 [1,1,0,0,0,0|2,0,0]=4 3325 B11R1.8 CNc1cc(cc(c1O)F)Br 7a_100011217383_200000210301 [1,1,0,0,0,0|2,0,0]=4 3326 B11R1.8 CNc1cc(cc(c1O)F)F 34a_100015205836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3327 B11R1.8 COc1cc(cc(c1Br)C)C 34a_100010342985_200000210301 [1,1,0,0,0,0|1,0,1]=4 3328 B11R1.8 COc1cc(cc(c1Br)C)C 7a_100010342985_200000210301 [1,1,0,0,0,0|1,0,1]=4 3329 B11R1.8 COc1cc(cc(c1Br)F)Cl 34a_100015539415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3330 B11R1.8 COc1cc(cc(c1Br)F)Cl 7a_100015539415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3331 B11R1.8 COc1cc(cc(c1Br)F)F 34a_100009815984_200000210301 [1,1,0,0,0,0|2,0,0]=4 3332 B11R1.8 COc1cc(cc(c1Br)F)F 7a_100009815984_200000210301 [1,1,0,0,0,0|2,0,0]=4 3333 B11R1.8 COc1cc(cc(c1C)C)C 34a_100000230004_200000210301 [1,1,0,0,0,0|1,0,1]=4 3334 B11R1.8 COc1cc(cc(c1C)C)C 7a_100000230004_200000210301 [1,1,0,0,0,0|1,0,1]=4 3335 B11R1.8 COc1cc(cc(c1Cl)C)C 34a_100000094344_200000210301 [1,1,0,0,0,0|1,0,1]=4 3336 B11R1.8 COc1cc(cc(c1Cl)C)C 7a_100000094344_200000210301 [1,1,0,0,0,0|1,0,1]=4 3337 B11R1.8 COc1cc(cc(c1Cl)Cl)N 34a_100015839415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3338 B11R1.8 COc1cc(cc(c1Cl)Cl)N 7a_100015839415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3339 B11R1.8 COc1cc(cc(c1Cl)F)Br 34a_100010981968_200000210301 [1,1,0,0,0,0|2,0,0]=4 3340 B11R1.8 COc1cc(cc(c1Cl)F)Br 7a_100010981968_200000210301 [1,1,0,0,0,0|2,0,0]=4 3341 B11R1.8 COc1cc(cc(c1Cl)F)F 34a_200000037661_200000210301 [1,1,0,0,0,0|2,0,0]=4 3342 B11R1.8 COc1cc(cc(c1Cl)F)F 7a_200000037661_200000210301 [1,1,0,0,0,0|2,0,0]=4 3343 B11R1.8 COc1cc(cc(c1F)C)O 271570a_203496583355_100010271686 [1,1,0,0,0,0|2,0,0]=4 3344 B11R1.8 COc1cc(cc(c1F)Cl)Br 34a_100010077842_200000210301 [1,1,0,0,0,0|2,0,0]=4 3345 B11R1.8 COc1cc(cc(c1F)Cl)Br 7a_100010077842_200000210301 [1,1,0,0,0,0|2,0,0]=4 3346 B11R1.8 COc1cc(cc(c1F)F)Br 34a_100000709865_200000210301 [1,1,0,0,0,0|2,0,0]=4 3347 B11R1.8 COc1cc(cc(c1F)F)Br 7a_100000709865_200000210301 [1,1,0,0,0,0|2,0,0]=4 3348 B11R1.8 COc1cc(cc(c1F)F)F 34a_200011215507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3349 B11R1.8 COc1cc(cc(c1F)F)F 7a_200011215507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3350 B11R1.8 COc1cc(cc(c1F)F)O 271570a_203496583355_100011218012 [1,1,0,0,0,0|2,0,0]=4 3351 B11R1.8 COc1cc(cc(c1F)O)O 271570a_203496583355_200015524394 [1,1,0,0,0,0|2,0,0]=4 3352 B11R1.8 COc1cc(cc(c1I)C)Cl 34a_100010254216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3353 B11R1.8 COc1cc(cc(c1I)C)Cl 7a_100010254216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3354 B11R1.8 COc1cc(cc(c1N)Br)Cl 34a_100015696055_200000210301 [1,1,0,0,0,0|2,0,0]=4 3355 B11R1.8 COc1cc(cc(c1N)Br)Cl 7a_100015696055_200000210301 [1,1,0,0,0,0|2,0,0]=4 3356 B11R1.8 COc1cc(cc(c1N)C)Br 34a_100010371313_200000210301 [1,1,0,0,0,0|2,0,0]=4 3357 B11R1.8 COc1cc(cc(c1N)C)Br 7a_100010371313_200000210301 [1,1,0,0,0,0|2,0,0]=4 3358 B11R1.8 COc1cc(cc(c1N)C)O 271570a_203496583355_100000741850 [1,1,0,0,0,0|2,0,0]=4 3359 B11R1.8 COc1cc(cc(c1N)Cl)C 34a_100015906060_200000210301 [1,1,0,0,0,0|1,0,1]=4 3360 B11R1.8 COc1cc(cc(c1N)Cl)C 7a_100015906060_200000210301 [1,1,0,0,0,0|1,0,1]=4 3361 B11R1.8 COc1cc(cc(c1N)F)Br 34a_100015475841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3362 B11R1.8 COc1cc(cc(c1N)F)Br 7a_100015475841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3363 B11R1.8 COc1cc(cc(c1N)F)Cl 34a_100010883250_200000210301 [1,1,0,0,0,0|2,0,0]=4 3364 B11R1.8 COc1cc(cc(c1N)F)Cl 7a_100010883250_200000210301 [1,1,0,0,0,0|2,0,0]=4 3365 B11R1.8 COc1cc(cc(c1N)F)F 34a_100011217947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3366 B11R1.8 COc1cc(cc(c1N)F)F 7a_100011217947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3367 B11R1.8 COc1cc(cc(c1N)O)F 271570a_203496583355_100011004115 [1,1,0,0,0,0|2,0,0]=4 3368 B11R1.8 COc1cc(cc(c1O)Br)Cl 271570a_203496583355_100025705407 [1,1,0,0,0,0|1,0,0]=3 3369 B11R1.8 COc1cc(cc(c1O)Cl)Cl 271570a_203496583355_100010292537 [1,1,0,0,0,0|1,0,0]=3 3370 B11R1.8 COc1cc(cc(c1O)F)Br 271570a_203496583355_100010713143 [1,1,0,0,0,0|1,0,0]=3 3371 B11R1.8 COc1cc(cc(c1O)O)F 271570a_203496583355_200010391102 [1,1,0,0,0,0|1,0,0]=3 3372 B11R1.8 CSc1cc(cc(c1O)Br)F 62a_200000210301_200013085147 [1,1,0,0,0,0|1,1,0]=4 3373 B11R1.8 CSc1cc(cc(c1O)Br)F 62a_200013085147_200000210301 [1,1,0,0,0,0|1,1,0]=4 3374 B11R1.8 CSc1cc(cc(c1O)C)C 62a_100011934984_200000210301 [1,1,0,0,0,0|0,1,1]=4 3375 B11R1.8 CSc1cc(cc(c1O)C)C 62a_200000210301_100011934984 [1,1,0,0,0,0|0,1,1]=4 3376 B11R1.8 CSc1cc(cc(c1O)C)Cl 62a_100012343667_200000210301 [1,1,0,0,0,0|1,1,0]=4 3377 B11R1.8 CSc1cc(cc(c1O)C)Cl 62a_200000210301_100012343667 [1,1,0,0,0,0|1,1,0]=4 3378 B11R1.8 CSc1cc(cc(c1O)C)N 62a_100010064301_200000210301 [1,1,0,0,0,0|1,1,0]=4 3379 B11R1.8 CSc1cc(cc(c1O)C)N 62a_200000210301_100010064301 [1,1,0,0,0,0|1,1,0]=4 3380 B11R1.8 CSc1cc(cc(c1O)Cl)Cl 62a_200000210301_200012339341 [1,1,0,0,0,0|1,1,0]=4 3381 B11R1.8 CSc1cc(cc(c1O)Cl)Cl 62a_200012339341_200000210301 [1,1,0,0,0,0|1,1,0]=4 3382 B11R1.8 CSc1cc(cc(c1O)F)Br 62a_100013354677_200000210301 [1,1,0,0,0,0|1,1,0]=4 3383 B11R1.8 CSc1cc(cc(c1O)F)Br 62a_200000210301_100013354677 [1,1,0,0,0,0|1,1,0]=4 3384 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200000210301_200135191068 [1,1,0,0,0,0|0,1,1]=4 3385 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200135191068_200000210301 [1,1,0,0,0,0|0,1,1]=4 3386 B11R1.8 CSc1cc(cc(c1O)F)F 62a_100000688693_200000210301 [1,1,0,0,0,0|1,1,0]=4 3387 B11R1.8 CSc1cc(cc(c1O)F)F 62a_200000210301_100000688693 [1,1,0,0,0,0|1,1,0]=4 3388 B11R1.8 CSc1cc(cc(c1O)N)Br 62a_100016071998_200000210301 [1,1,0,0,0,0|1,1,0]=4 3389 B11R1.8 CSc1cc(cc(c1O)N)Br 62a_200000210301_100016071998 [1,1,0,0,0,0|1,1,0]=4 3390 B11R1.8 CSc1cc(cc(c1O)N)F 62a_200000210301_200011217456 [1,1,0,0,0,0|1,1,0]=4 3391 B11R1.8 CSc1cc(cc(c1O)N)F 62a_200011217456_200000210301 [1,1,0,0,0,0|1,1,0]=4 3392 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 34a_100011216242_200025704644 [1,1,0,0,0,0|1,0,1]=4 3393 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 7a_100011216242_200025704644 [1,1,0,0,0,0|1,0,1]=4 3394 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 34a_100010342985_200025704644 [1,1,0,0,0,0|1,0,1]=4 3395 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 7a_100010342985_200025704644 [1,1,0,0,0,0|1,0,1]=4 3396 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 34a_100000230004_200025704644 [1,1,0,0,0,0|1,0,1]=4 3397 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 7a_100000230004_200025704644 [1,1,0,0,0,0|1,0,1]=4 3398 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 34a_100000094344_200025704644 [1,1,0,0,0,0|1,0,1]=4 3399 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 7a_100000094344_200025704644 [1,1,0,0,0,0|1,0,1]=4 3400 B11R1.8 Cc1cc(c(c(c1)O[13CH3])N)Cl 34a_100015906060_200025704644 [1,1,0,0,0,0|1,0,1]=4 3401 B11R1.8 Cc1cc(c(c(c1)O[13CH3])N)Cl 7a_100015906060_200025704644 [1,1,0,0,0,0|1,0,1]=4 3402 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_100011934984_200025704644 [1,1,0,0,0,0|0,1,1]=4 3403 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_200025704644_100011934984 [1,1,0,0,0,0|0,1,1]=4 3404 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200025704644_200135191068 [1,1,0,0,0,0|0,1,1]=4 3405 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200135191068_200025704644 [1,1,0,0,0,0|0,1,1]=4 3406 B11R1.8 Cc1cc(cc(c1I)O[13CH3])Cl 34a_100010254216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3407 B11R1.8 Cc1cc(cc(c1I)O[13CH3])Cl 7a_100010254216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3408 B11R1.8 Cc1cc(cc(c1N)O[13CH3])Br 34a_100010371313_200025704644 [1,1,0,0,0,0|2,0,0]=4 3409 B11R1.8 Cc1cc(cc(c1N)O[13CH3])Br 7a_100010371313_200025704644 [1,1,0,0,0,0|2,0,0]=4 3410 B11R1.8 Cc1cc(cc(c1O)N[13CH3])Br 34a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3411 B11R1.8 Cc1cc(cc(c1O)N[13CH3])Br 7a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3412 B11R1.8 Cc1cc(cc(c1O)N[13CH3])F 34a_100000130126_200025704644 [1,1,0,0,0,0|2,0,0]=4 3413 B11R1.8 Cc1cc(cc(c1O)N[13CH3])F 7a_100000130126_200025704644 [1,1,0,0,0,0|2,0,0]=4 3414 B11R1.8 Cc1cc(cc(c1O)S[13CH3])Cl 62a_100012343667_200025704644 [1,1,0,0,0,0|1,1,0]=4 3415 B11R1.8 Cc1cc(cc(c1O)S[13CH3])Cl 62a_200025704644_100012343667 [1,1,0,0,0,0|1,1,0]=4 3416 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_100010064301_200025704644 [1,1,0,0,0,0|1,1,0]=4 3417 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_200025704644_100010064301 [1,1,0,0,0,0|1,1,0]=4 3418 B11R1.8 [13CH3]Nc1cc(cc(c1O)Br)Br 34a_100010781877_200025704644 [1,1,0,0,0,0|2,0,0]=4 3419 B11R1.8 [13CH3]Nc1cc(cc(c1O)Br)Cl 34a_106741647128_200025704644 [1,1,0,0,0,0|2,0,0]=4 3420 B11R1.8 [13CH3]Nc1cc(cc(c1O)Br)F 34a_200011217456_200025704644 [1,1,0,0,0,0|2,0,0]=4 3421 B11R1.8 [13CH3]Nc1cc(cc(c1O)Cl)Br 34a_100000694353_200025704644 [1,1,0,0,0,0|2,0,0]=4 3422 B11R1.8 [13CH3]Nc1cc(cc(c1O)Cl)Cl 34a_100000695819_200025704644 [1,1,0,0,0,0|2,0,0]=4 3423 B11R1.8 [13CH3]Nc1cc(cc(c1O)F)Br 34a_100011217383_200025704644 [1,1,0,0,0,0|2,0,0]=4 3424 B11R1.8 [13CH3]Nc1cc(cc(c1O)F)Br 7a_100011217383_200025704644 [1,1,0,0,0,0|2,0,0]=4 3425 B11R1.8 [13CH3]Nc1cc(cc(c1O)F)F 34a_100015205836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3426 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)Cl 34a_100015539415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3427 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)Cl 7a_100015539415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3428 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)F 34a_100009815984_200025704644 [1,1,0,0,0,0|2,0,0]=4 3429 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)F 7a_100009815984_200025704644 [1,1,0,0,0,0|2,0,0]=4 3430 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)Cl)N 34a_100015839415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3431 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)Cl)N 7a_100015839415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3432 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)Br 34a_100010981968_200025704644 [1,1,0,0,0,0|2,0,0]=4 3433 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)Br 7a_100010981968_200025704644 [1,1,0,0,0,0|2,0,0]=4 3434 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)F 34a_200000037661_200025704644 [1,1,0,0,0,0|2,0,0]=4 3435 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)F 7a_200000037661_200025704644 [1,1,0,0,0,0|2,0,0]=4 3436 B11R1.8 [13CH3]Oc1cc(cc(c1F)Cl)Br 34a_100010077842_200025704644 [1,1,0,0,0,0|2,0,0]=4 3437 B11R1.8 [13CH3]Oc1cc(cc(c1F)Cl)Br 7a_100010077842_200025704644 [1,1,0,0,0,0|2,0,0]=4 3438 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)Br 34a_100000709865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3439 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)Br 7a_100000709865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3440 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)F 34a_200011215507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3441 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)F 7a_200011215507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3442 B11R1.8 [13CH3]Oc1cc(cc(c1N)Br)Cl 34a_100015696055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3443 B11R1.8 [13CH3]Oc1cc(cc(c1N)Br)Cl 7a_100015696055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3444 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Br 34a_100015475841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3445 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Br 7a_100015475841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3446 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Cl 34a_100010883250_200025704644 [1,1,0,0,0,0|2,0,0]=4 3447 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Cl 7a_100010883250_200025704644 [1,1,0,0,0,0|2,0,0]=4 3448 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)F 34a_100011217947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3449 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)F 7a_100011217947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3450 B11R1.8 [13CH3]Sc1cc(cc(c1O)Br)F 62a_200013085147_200025704644 [1,1,0,0,0,0|1,1,0]=4 3451 B11R1.8 [13CH3]Sc1cc(cc(c1O)Br)F 62a_200025704644_200013085147 [1,1,0,0,0,0|1,1,0]=4 3452 B11R1.8 [13CH3]Sc1cc(cc(c1O)Cl)Cl 62a_200012339341_200025704644 [1,1,0,0,0,0|1,1,0]=4 3453 B11R1.8 [13CH3]Sc1cc(cc(c1O)Cl)Cl 62a_200025704644_200012339341 [1,1,0,0,0,0|1,1,0]=4 3454 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)Br 62a_100013354677_200025704644 [1,1,0,0,0,0|1,1,0]=4 3455 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)Br 62a_200025704644_100013354677 [1,1,0,0,0,0|1,1,0]=4 3456 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)F 62a_100000688693_200025704644 [1,1,0,0,0,0|1,1,0]=4 3457 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)F 62a_200025704644_100000688693 [1,1,0,0,0,0|1,1,0]=4 3458 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)Br 62a_100016071998_200025704644 [1,1,0,0,0,0|1,1,0]=4 3459 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)Br 62a_200025704644_100016071998 [1,1,0,0,0,0|1,1,0]=4 3460 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)F 62a_200011217456_200025704644 [1,1,0,0,0,0|1,1,0]=4 3461 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)F 62a_200025704644_200011217456 [1,1,0,0,0,0|1,1,0]=4 3462 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [1,1,0,0,0,0|2,0,0]=4 3463 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [1,1,0,0,0,0|1,0,1]=4 3464 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [1,1,0,0,0,0|2,0,0]=4 3465 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [1,1,0,0,0,0|2,0,0]=4 3466 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [1,1,0,0,0,0|2,0,0]=4 3468 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 3469 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 3470 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,1,0,0,0,0|1,0,1]=4 3471 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,1,0,0,0,0|1,0,1]=4 3472 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3473 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3474 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [1,1,0,0,0,0|2,0,0]=4 3475 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 3476 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 3477 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,1,0,0,0,0|1,0,1]=4 3478 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,1,0,0,0,0|1,0,1]=4 3479 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3480 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3481 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [1,1,0,0,0,0|2,0,0]=4 3482 B11R1.37 CNc1cc(ccc1CO)Br 34a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3483 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [1,1,0,0,0,0|1,0,1]=4 3484 B11R1.37 CNc1cc(ccc1CO)Cl 34a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 3485 B11R1.37 CNc1cc(ccc1CO)F 34a_100011996588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3486 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [1,1,0,0,0,0|2,0,0]=4 3487 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [1,1,0,0,0,0|1,0,1]=4 3488 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [1,1,0,0,0,0|1,0,1]=4 3489 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [1,1,0,0,0,0|2,0,0]=4 3490 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [1,1,0,0,0,0|2,0,0]=4 3491 B11R1.37 CNc1ccc(cc1OC)Br 34a_100011279103_200000210301 [1,1,0,0,0,0|2,0,0]=4 3492 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [1,1,0,0,0,0|1,0,1]=4 3493 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [1,1,0,0,0,0|1,0,1]=4 3494 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3495 B11R1.37 CNc1ccc(cc1OC)F 34a_100000737216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3496 B11R1.37 CNc1ccc(cc1OC)I 34a_100015196925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3497 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [1,1,0,0,0,0|2,0,0]=4 3498 B11R1.37 COc1cc(ccc1C#N)Br 34a_100011934713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3499 B11R1.37 COc1cc(ccc1C#N)Br 7a_100011934713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3500 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [1,1,0,0,0,0|1,0,1]=4 3501 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [1,1,0,0,0,0|1,0,1]=4 3502 B11R1.37 COc1cc(ccc1C#N)Cl 34a_100000688488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3503 B11R1.37 COc1cc(ccc1C#N)Cl 7a_100000688488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3504 B11R1.37 COc1cc(ccc1C#N)F 34a_100012185923_200000210301 [1,1,0,0,0,0|2,0,0]=4 3505 B11R1.37 COc1cc(ccc1C#N)F 7a_100012185923_200000210301 [1,1,0,0,0,0|2,0,0]=4 3506 B11R1.37 COc1cc(ccc1C#N)N 34a_100000094571_200000210301 [1,1,0,0,0,0|2,0,0]=4 3507 B11R1.37 COc1cc(ccc1C#N)N 7a_100000094571_200000210301 [1,1,0,0,0,0|2,0,0]=4 3508 B11R1.37 COc1cc(ccc1C#N)O 271570a_203496583355_100000694671 [1,1,0,0,0,0|2,0,0]=4 3509 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [1,1,0,0,0,0|1,0,1]=4 3510 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [1,1,0,0,0,0|1,0,0]=3 3511 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [1,1,0,0,0,0|1,0,0]=3 3512 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [1,1,0,0,0,0|1,0,0]=3 3513 B11R1.37 COc1cc(ccc1N[13CH3])Br 34a_100011279103_200025704644 [1,1,0,0,0,0|2,0,0]=4 3514 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [1,1,0,0,0,0|1,0,1]=4 3515 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [1,1,0,0,0,0|1,0,1]=4 3516 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3517 B11R1.37 COc1cc(ccc1N[13CH3])F 34a_100000737216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3518 B11R1.37 COc1cc(ccc1N[13CH3])I 34a_100015196925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3519 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [1,1,0,0,0,0|2,0,0]=4 3520 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [1,1,0,0,0,0|1,0,0]=3 3521 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [1,1,0,0,0,0|1,0,0]=3 3522 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [1,1,0,0,0,0|0,0,1]=3 3523 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [1,1,0,0,0,0|1,0,0]=3 3524 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [1,1,0,0,0,0|1,0,0]=3 3525 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [1,1,0,0,0,0|1,0,0]=3 3526 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [1,1,0,0,0,0|1,0,0]=3 3527 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [1,1,0,0,0,0|1,0,0]=3 3528 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [1,1,0,0,0,0|1,1,0]=4 3529 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [1,1,0,0,0,0|1,1,0]=4 3530 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [1,1,0,0,0,0|0,1,1]=4 3531 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [1,1,0,0,0,0|0,1,1]=4 3532 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [1,1,0,0,0,0|1,1,0]=4 3533 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [1,1,0,0,0,0|1,1,0]=4 3534 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [1,1,0,0,0,0|1,1,0]=4 3535 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [1,1,0,0,0,0|1,1,0]=4 3536 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [1,1,0,0,0,0|1,1,0]=4 3537 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [1,1,0,0,0,0|1,1,0]=4 3538 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [1,1,0,0,0,0|1,1,0]=4 3539 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [1,1,0,0,0,0|1,1,0]=4 3540 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [1,1,0,0,0,0|1,1,0]=4 3541 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [1,1,0,0,0,0|1,1,0]=4 3542 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [1,1,0,0,0,0|0,1,1]=4 3543 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [1,1,0,0,0,0|0,1,1]=4 3544 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [1,1,0,0,0,0|1,1,0]=4 3545 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [1,1,0,0,0,0|1,1,0]=4 3546 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [1,1,0,0,0,0|1,1,0]=4 3547 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [1,1,0,0,0,0|1,1,0]=4 3548 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [1,1,0,0,0,0|1,1,0]=4 3549 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [1,1,0,0,0,0|1,1,0]=4 3550 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [1,1,0,0,0,0|1,1,0]=4 3551 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [1,1,0,0,0,0|2,0,0]=4 3552 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3553 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [1,1,0,0,0,0|2,0,0]=4 3554 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [1,1,0,0,0,0|2,0,0]=4 3555 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [1,1,0,0,0,0|2,0,0]=4 3556 B11R1.37 COc1cc(ncc1CO)O 271570a_203496583355_100010714672 [1,1,0,0,0,0|2,0,0]=4 3557 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [1,1,0,0,0,0|2,0,0]=4 3558 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [1,1,0,0,0,0|1,0,1]=4 3559 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [1,1,0,0,0,0|1,0,1]=4 3560 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [1,1,0,0,0,0|2,0,0]=4 3561 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3562 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [1,1,0,0,0,0|1,0,0]=3 3563 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [1,1,0,0,0,0|1,0,0]=3 3564 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [1,1,0,0,0,0|1,0,0]=3 3565 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [1,1,0,0,0,0|1,0,0]=3 3566 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [1,1,0,0,0,0|0,0,1]=3 3567 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [1,1,0,0,0,0|0,0,1]=3 3568 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [1,1,0,0,0,0|0,0,1]=3 3569 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [1,1,0,0,0,0|1,0,0]=3 3570 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [1,1,0,0,0,0|1,0,0]=3 3571 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [1,1,0,0,0,0|1,0,0]=3 3572 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [1,1,0,0,0,0|1,0,0]=3 3573 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [1,1,0,0,0,0|1,0,0]=3 3574 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [1,1,0,0,0,0|1,0,0]=3 3575 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [1,1,0,0,0,0|1,0,0]=3 3576 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [1,1,0,0,0,0|1,0,0]=3 3577 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [1,1,0,0,0,0|1,0,0]=3 3578 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [1,1,0,0,0,0|1,0,0]=3 3579 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [1,1,0,0,0,0|1,0,0]=3 3580 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [1,1,0,0,0,0|1,0,0]=3 3581 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [1,1,0,0,0,0|1,0,0]=3 3582 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [1,1,0,0,0,0|0,0,1]=3 3583 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [1,1,0,0,0,0|0,0,1]=3 3584 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [1,1,0,0,0,0|1,0,0]=3 3585 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [1,1,0,0,0,0|1,0,0]=3 3586 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3587 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3588 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [1,1,0,0,0,0|1,0,0]=3 3589 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [1,1,0,0,0,0|1,1,0]=4 3590 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [1,1,0,0,0,0|1,1,0]=4 3591 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [1,1,0,0,0,0|0,1,1]=4 3592 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [1,1,0,0,0,0|0,1,1]=4 3593 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [1,1,0,0,0,0|1,1,0]=4 3594 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [1,1,0,0,0,0|1,1,0]=4 3595 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [1,1,0,0,0,0|1,1,0]=4 3596 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [1,1,0,0,0,0|1,1,0]=4 3597 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [1,1,0,0,0,0|1,1,0]=4 3598 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [1,1,0,0,0,0|1,1,0]=4 3599 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [1,1,0,0,0,0|1,1,0]=4 3600 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [1,1,0,0,0,0|1,1,0]=4 3601 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [1,1,0,0,0,0|1,1,0]=4 3602 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [1,1,0,0,0,0|1,1,0]=4 3603 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [1,1,0,0,0,0|1,1,0]=4 3604 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [1,1,0,0,0,0|0,1,1]=4 3605 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [1,1,0,0,0,0|0,1,1]=4 3606 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [1,1,0,0,0,0|1,1,0]=4 3607 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [1,1,0,0,0,0|1,1,0]=4 3608 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [1,1,0,0,0,0|1,1,0]=4 3609 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [1,1,0,0,0,0|1,1,0]=4 3610 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [1,1,0,0,0,0|1,1,0]=4 3611 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [1,1,0,0,0,0|1,1,0]=4 3612 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [1,1,0,0,0,0|1,1,0]=4 3613 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [1,1,0,0,0,0|1,1,0]=4 3614 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [1,1,0,0,0,0|2,0,0]=4 3615 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [1,1,0,0,0,0|2,0,0]=4 3616 B11R1.37 COc1cnc(cc1OC)Br 34a_100010264082_200000210301 [1,1,0,0,0,0|2,0,0]=4 3617 B11R1.37 COc1cnc(cc1OC)Cl 34a_100009849459_200000210301 [1,1,0,0,0,0|2,0,0]=4 3618 B11R1.37 COc1cnc(cc1O[13CH3])Br 34a_100010264082_200025704644 [1,1,0,0,0,0|2,0,0]=4 3619 B11R1.37 COc1cnc(cc1O[13CH3])Cl 34a_100009849459_200025704644 [1,1,0,0,0,0|2,0,0]=4 3620 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [1,1,0,0,0,0|2,0,0]=4 3621 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [1,1,0,0,0,0|2,0,0]=4 3622 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3623 B11R1.37 CSc1cc(ccc1CO)Br 62a_100010146605_200000210301 [1,1,0,0,0,0|1,1,0]=4 3624 B11R1.37 CSc1cc(ccc1CO)Br 62a_200000210301_100010146605 [1,1,0,0,0,0|1,1,0]=4 3625 B11R1.37 CSc1cc(ccc1CO)Cl 62a_100000722340_200000210301 [1,1,0,0,0,0|1,1,0]=4 3626 B11R1.37 CSc1cc(ccc1CO)Cl 62a_200000210301_100000722340 [1,1,0,0,0,0|1,1,0]=4 3627 B11R1.37 CSc1cc(ccc1CO)F 62a_100000744086_200000210301 [1,1,0,0,0,0|1,1,0]=4 3628 B11R1.37 CSc1cc(ccc1CO)F 62a_200000210301_100000744086 [1,1,0,0,0,0|1,1,0]=4 3629 B11R1.37 CSc1cc(ccc1CO)O 62a_100010146404_200000210301 [1,1,0,0,0,0|1,1,0]=4 3630 B11R1.37 CSc1cc(ccc1CO)O 62a_200000210301_100010146404 [1,1,0,0,0,0|1,1,0]=4 3631 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [1,1,0,0,0,0|1,0,1]=4 3632 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [1,1,0,0,0,0|1,0,1]=4 3633 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [1,1,0,0,0,0|1,0,1]=4 3634 B11R1.37 [13CH3]Nc1cc(ccc1CO)Br 34a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3635 B11R1.37 [13CH3]Nc1cc(ccc1CO)Cl 34a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 3636 B11R1.37 [13CH3]Nc1cc(ccc1CO)F 34a_100011996588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3637 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 34a_100011934713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3638 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 7a_100011934713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3639 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 34a_100000688488_200025704644 [1,1,0,0,0,0|2,0,0]=4 3640 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 7a_100000688488_200025704644 [1,1,0,0,0,0|2,0,0]=4 3641 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 34a_100012185923_200025704644 [1,1,0,0,0,0|2,0,0]=4 3642 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 7a_100012185923_200025704644 [1,1,0,0,0,0|2,0,0]=4 3643 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 34a_100000094571_200025704644 [1,1,0,0,0,0|2,0,0]=4 3644 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 7a_100000094571_200025704644 [1,1,0,0,0,0|2,0,0]=4 3645 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [1,1,0,0,0,0|1,0,0]=3 3646 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [1,1,0,0,0,0|1,0,0]=3 3647 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_100010146605_200025704644 [1,1,0,0,0,0|1,1,0]=4 3648 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_200025704644_100010146605 [1,1,0,0,0,0|1,1,0]=4 3649 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_100000722340_200025704644 [1,1,0,0,0,0|1,1,0]=4 3650 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_200025704644_100000722340 [1,1,0,0,0,0|1,1,0]=4 3651 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_100000744086_200025704644 [1,1,0,0,0,0|1,1,0]=4 3652 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_200025704644_100000744086 [1,1,0,0,0,0|1,1,0]=4 3653 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_100010146404_200025704644 [1,1,0,0,0,0|1,1,0]=4 3654 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_200025704644_100010146404 [1,1,0,0,0,0|1,1,0]=4 3655 B11R1.72 CNc1c(ccc(c1C)Br)O 34a_100013039247_200000210301 [1,1,0,0,0,0|2,0,0]=4 3656 B11R1.72 COc1c(cc[n+](c1C)[O-])O 271570a_203496583355_100000067051 [1,1,0,0,0,0|2,0,0]=4 3657 B11R1.72 COc1c(ccc(c1Br)C)F 34a_200010223207_200000210301 [1,1,0,0,0,0|1,0,1]=4 3658 B11R1.72 COc1c(ccc(c1Br)C)F 7a_200010223207_200000210301 [1,1,0,0,0,0|1,0,1]=4 3659 B11R1.72 COc1c(ccc(c1Br)F)F 34a_100010170822_200000210301 [1,1,0,0,0,0|2,0,0]=4 3660 B11R1.72 COc1c(ccc(c1Br)F)F 7a_100010170822_200000210301 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.72 COc1c(ccc(c1Br)F)N 34a_100010128263_200000210301 [1,1,0,0,0,0|2,0,0]=4 3662 B11R1.72 COc1c(ccc(c1Br)F)N 7a_100010128263_200000210301 [1,1,0,0,0,0|2,0,0]=4 3663 B11R1.72 COc1c(ccc(c1C)C)C 34a_100000211305_200000210301 [1,1,0,0,0,0|1,0,1]=4 3664 B11R1.72 COc1c(ccc(c1C)C)C 7a_100000211305_200000210301 [1,1,0,0,0,0|1,0,1]=4 3665 B11R1.72 COc1c(ccc(c1C)Cl)Br 34a_200010391122_200000210301 [1,1,0,0,0,0|2,0,0]=4 3666 B11R1.72 COc1c(ccc(c1C)Cl)Br 7a_200010391122_200000210301 [1,1,0,0,0,0|2,0,0]=4 3667 B11R1.72 COc1c(ccc(c1C)F)Br 34a_200010391124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3668 B11R1.72 COc1c(ccc(c1C)F)Br 7a_200010391124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3669 B11R1.72 COc1c(ccc(c1Cl)Br)Cl 34a_100010089855_200000210301 [1,1,0,0,0,0|2,0,0]=4 3670 B11R1.72 COc1c(ccc(c1Cl)Br)Cl 7a_100010089855_200000210301 [1,1,0,0,0,0|2,0,0]=4 3671 B11R1.72 COc1c(ccc(c1Cl)C)Cl 34a_200000087117_200000210301 [1,1,0,0,0,0|1,0,1]=4 3672 B11R1.72 COc1c(ccc(c1Cl)C)Cl 7a_200000087117_200000210301 [1,1,0,0,0,0|1,0,1]=4 3673 B11R1.72 COc1c(ccc(c1Cl)C)F 34a_100000035349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3674 B11R1.72 COc1c(ccc(c1Cl)C)F 7a_100000035349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3675 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_200000210301 [1,1,0,0,0,0|2,0,0]=4 3676 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_200000210301 [1,1,0,0,0,0|2,0,0]=4 3677 B11R1.72 COc1c(ccc(c1Cl)Cl)F 34a_100000062035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3678 B11R1.72 COc1c(ccc(c1Cl)Cl)F 7a_100000062035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3679 B11R1.72 COc1c(ccc(c1Cl)F)Br 34a_100014979575_200000210301 [1,1,0,0,0,0|2,0,0]=4 3680 B11R1.72 COc1c(ccc(c1Cl)F)Br 7a_100014979575_200000210301 [1,1,0,0,0,0|2,0,0]=4 3681 B11R1.72 COc1c(ccc(c1Cl)F)F 34a_100000038336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3682 B11R1.72 COc1c(ccc(c1Cl)F)F 7a_100000038336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3683 B11R1.72 COc1c(ccc(c1Cl)N)C 34a_100000036876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3684 B11R1.72 COc1c(ccc(c1Cl)N)C 7a_100000036876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3685 B11R1.72 COc1c(ccc(c1F)Br)Cl 34a_100010240321_200000210301 [1,1,0,0,0,0|2,0,0]=4 3686 B11R1.72 COc1c(ccc(c1F)Br)Cl 7a_100010240321_200000210301 [1,1,0,0,0,0|2,0,0]=4 3687 B11R1.72 COc1c(ccc(c1F)Br)F 34a_100010167067_200000210301 [1,1,0,0,0,0|2,0,0]=4 3688 B11R1.72 COc1c(ccc(c1F)Br)F 7a_100010167067_200000210301 [1,1,0,0,0,0|2,0,0]=4 3689 B11R1.72 COc1c(ccc(c1F)C)Br 34a_100000722096_200000210301 [1,1,0,0,0,0|1,0,1]=4 3690 B11R1.72 COc1c(ccc(c1F)C)Br 7a_100000722096_200000210301 [1,1,0,0,0,0|1,0,1]=4 3691 B11R1.72 COc1c(ccc(c1F)C)Cl 34a_200000034537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3692 B11R1.72 COc1c(ccc(c1F)C)Cl 7a_200000034537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3693 B11R1.72 COc1c(ccc(c1F)C)F 34a_100011216644_200000210301 [1,1,0,0,0,0|1,0,1]=4 3694 B11R1.72 COc1c(ccc(c1F)C)F 7a_100011216644_200000210301 [1,1,0,0,0,0|1,0,1]=4 3695 B11R1.72 COc1c(ccc(c1F)C)O 271570a_203496583355_100010081143 [1,1,0,0,0,0|0,0,1]=3 3696 B11R1.72 COc1c(ccc(c1F)Cl)Br 34a_100010081130_200000210301 [1,1,0,0,0,0|2,0,0]=4 3697 B11R1.72 COc1c(ccc(c1F)Cl)Br 7a_100010081130_200000210301 [1,1,0,0,0,0|2,0,0]=4 3698 B11R1.72 COc1c(ccc(c1F)Cl)F 34a_100000034634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3699 B11R1.72 COc1c(ccc(c1F)Cl)F 7a_100000034634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3700 B11R1.72 COc1c(ccc(c1F)F)Br 34a_100010243909_200000210301 [1,1,0,0,0,0|2,0,0]=4 3701 B11R1.72 COc1c(ccc(c1F)F)Br 7a_100010243909_200000210301 [1,1,0,0,0,0|2,0,0]=4 3702 B11R1.72 COc1c(ccc(c1F)F)F 34a_100000031686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3703 B11R1.72 COc1c(ccc(c1F)F)F 7a_100000031686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3704 B11R1.72 COc1c(ccc(c1F)F)N 34a_100015205010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3705 B11R1.72 COc1c(ccc(c1F)F)N 7a_100015205010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3706 B11R1.72 COc1c(ccc(c1F)F)O 271570a_203496583355_100010223324 [1,1,0,0,0,0|1,0,0]=3 3707 B11R1.72 COc1c(ccc(c1F)I)Br 34a_200010782288_200000210301 [1,1,0,0,0,0|2,0,0]=4 3708 B11R1.72 COc1c(ccc(c1F)I)Br 7a_200010782288_200000210301 [1,1,0,0,0,0|2,0,0]=4 3709 B11R1.72 COc1c(ccc(c1F)O)Cl 271570a_203496583355_200135222481 [1,1,0,0,0,0|2,0,0]=4 3710 B11R1.72 COc1c(ccc(c1F)O)N 271570a_203496583355_100010734149 [1,1,0,0,0,0|2,0,0]=4 3711 B11R1.72 COc1c(ccc(c1O)F)Br 271570a_203496583355_200034458476 [1,1,0,0,0,0|2,0,0]=4 3712 B11R1.72 COc1c(ccc(c1O)F)F 271570a_203496583355_100010254772 [1,1,0,0,0,0|2,0,0]=4 3713 B11R1.72 COc1c(ccc(c1O)F)N 271570a_203496583355_102516457224 [1,1,0,0,0,0|2,0,0]=4 3714 B11R1.72 COc1c(ccc(c1O)F)O 271570a_203496583355_200010167157 [1,1,0,0,0,0|1,0,0]=3 3715 B11R1.72 CSc1c(ccc(c1F)C)O 271570a_203496583355_200134762213 [1,1,0,0,0,0|0,1,1]=4 3716 B11R1.72 Cc1c(ccc(c1N[13CH3])O)Br 34a_100013039247_200025704644 [1,1,0,0,0,0|2,0,0]=4 3717 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)Cl 34a_200010391122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3718 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)Cl 7a_200010391122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3719 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)F 34a_200010391124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3720 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)F 7a_200010391124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3721 B11R1.72 Cc1ccc(c(c1Br)O[13CH3])F 34a_200010223207_200025704644 [1,1,0,0,0,0|1,0,1]=4 3722 B11R1.72 Cc1ccc(c(c1Br)O[13CH3])F 7a_200010223207_200025704644 [1,1,0,0,0,0|1,0,1]=4 3723 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 34a_100000211305_200025704644 [1,1,0,0,0,0|1,0,1]=4 3724 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 7a_100000211305_200025704644 [1,1,0,0,0,0|1,0,1]=4 3725 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])Cl 34a_200000087117_200025704644 [1,1,0,0,0,0|1,0,1]=4 3726 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])Cl 7a_200000087117_200025704644 [1,1,0,0,0,0|1,0,1]=4 3727 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])F 34a_100000035349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3728 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])F 7a_100000035349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3729 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Br 34a_100000722096_200025704644 [1,1,0,0,0,0|1,0,1]=4 3730 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Br 7a_100000722096_200025704644 [1,1,0,0,0,0|1,0,1]=4 3731 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Cl 34a_200000034537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3732 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Cl 7a_200000034537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3733 B11R1.72 Cc1ccc(c(c1F)O[13CH3])F 34a_100011216644_200025704644 [1,1,0,0,0,0|1,0,1]=4 3734 B11R1.72 Cc1ccc(c(c1F)O[13CH3])F 7a_100011216644_200025704644 [1,1,0,0,0,0|1,0,1]=4 3735 B11R1.72 Cc1ccc(c(c1O[13CH3])Cl)N 34a_100000036876_200025704644 [1,1,0,0,0,0|2,0,0]=4 3736 B11R1.72 Cc1ccc(c(c1O[13CH3])Cl)N 7a_100000036876_200025704644 [1,1,0,0,0,0|2,0,0]=4 3737 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)F 34a_100010170822_200025704644 [1,1,0,0,0,0|2,0,0]=4 3738 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)F 7a_100010170822_200025704644 [1,1,0,0,0,0|2,0,0]=4 3739 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)N 34a_100010128263_200025704644 [1,1,0,0,0,0|2,0,0]=4 3740 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)N 7a_100010128263_200025704644 [1,1,0,0,0,0|2,0,0]=4 3741 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Br)Cl 34a_100010089855_200025704644 [1,1,0,0,0,0|2,0,0]=4 3742 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Br)Cl 7a_100010089855_200025704644 [1,1,0,0,0,0|2,0,0]=4 3743 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_200025704644 [1,1,0,0,0,0|2,0,0]=4 3744 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_200025704644 [1,1,0,0,0,0|2,0,0]=4 3745 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)F 34a_100000062035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3746 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)F 7a_100000062035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3747 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)Br 34a_100014979575_200025704644 [1,1,0,0,0,0|2,0,0]=4 3748 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)Br 7a_100014979575_200025704644 [1,1,0,0,0,0|2,0,0]=4 3749 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)F 34a_100000038336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3750 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)F 7a_100000038336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3751 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)Cl 34a_100010240321_200025704644 [1,1,0,0,0,0|2,0,0]=4 3752 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)Cl 7a_100010240321_200025704644 [1,1,0,0,0,0|2,0,0]=4 3753 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)F 34a_100010167067_200025704644 [1,1,0,0,0,0|2,0,0]=4 3754 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)F 7a_100010167067_200025704644 [1,1,0,0,0,0|2,0,0]=4 3755 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)Br 34a_100010081130_200025704644 [1,1,0,0,0,0|2,0,0]=4 3756 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)Br 7a_100010081130_200025704644 [1,1,0,0,0,0|2,0,0]=4 3757 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)F 34a_100000034634_200025704644 [1,1,0,0,0,0|2,0,0]=4 3758 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)F 7a_100000034634_200025704644 [1,1,0,0,0,0|2,0,0]=4 3759 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)Br 34a_100010243909_200025704644 [1,1,0,0,0,0|2,0,0]=4 3760 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)Br 7a_100010243909_200025704644 [1,1,0,0,0,0|2,0,0]=4 3761 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)F 34a_100000031686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3762 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)F 7a_100000031686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3763 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)N 34a_100015205010_200025704644 [1,1,0,0,0,0|2,0,0]=4 3764 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)N 7a_100015205010_200025704644 [1,1,0,0,0,0|2,0,0]=4 3765 B11R1.72 [13CH3]Oc1c(ccc(c1F)I)Br 34a_200010782288_200025704644 [1,1,0,0,0,0|2,0,0]=4 3766 B11R1.72 [13CH3]Oc1c(ccc(c1F)I)Br 7a_200010782288_200025704644 [1,1,0,0,0,0|2,0,0]=4 3767 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [1,1,0,0,0,0|2,0,0]=4 3768 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [1,1,0,0,0,0|1,0,1]=4 3769 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [1,1,0,0,0,0|2,0,0]=4 3770 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [1,1,0,0,0,0|2,0,0]=4 3771 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [1,1,0,0,0,0|2,0,0]=4 3772 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [1,1,0,0,0,0|2,0,0]=4 3773 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3774 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [1,1,0,0,0,0|2,0,0]=4 3775 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [1,1,0,0,0,0|1,0,1]=4 3776 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [1,1,0,0,0,0|1,0,1]=4 3777 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [1,1,0,0,0,0|2,0,0]=4 3778 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [1,1,0,0,0,0|2,0,0]=4 3779 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [1,1,0,0,0,0|2,0,0]=4 3780 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [1,1,0,0,0,0|2,0,0]=4 3781 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [1,1,0,0,0,0|2,0,0]=4 3782 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [1,1,0,0,0,0|2,0,0]=4 3783 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [1,1,0,0,0,0|2,0,0]=4 3784 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [1,1,0,0,0,0|2,0,0]=4 3785 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [1,1,0,0,0,0|2,0,0]=4 3786 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [1,1,0,0,0,0|2,0,0]=4 3787 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [1,1,0,0,0,0|2,0,0]=4 3788 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [1,1,0,0,0,0|2,0,0]=4 3789 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [1,1,0,0,0,0|1,0,1]=4 3790 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3791 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [1,1,0,0,0,0|2,0,0]=4 3792 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [1,1,0,0,0,0|2,0,0]=4 3793 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [1,1,0,0,0,0|2,0,0]=4 3794 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [1,1,0,0,0,0|2,0,0]=4 3795 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,1,0,0,0,0|2,0,0]=4 3796 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,1,0,0,0,0|1,0,1]=4 3797 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,1,0,0,0,0|2,0,0]=4 3798 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,1,0,0,0,0|2,0,0]=4 3799 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,1,0,0,0,0|2,0,0]=4 3800 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,1,0,0,0,0|2,0,0]=4 3801 B11R1.182 CCNc1cc(ccc1O)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 3802 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [1,1,0,0,0,0|1,0,1]=4 3803 B11R1.182 CCNc1cc(ccc1O)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 3804 B11R1.182 CCNc1cc(ccc1O)F 34a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 3805 B11R1.182 CCOc1cc(ccc1Br)Br 34a_100011220040_100000210202 [1,1,0,0,0,0|2,0,0]=4 3806 B11R1.182 CCOc1cc(ccc1Br)Br 7a_100011220040_100000210202 [1,1,0,0,0,0|2,0,0]=4 3807 B11R1.182 CCOc1cc(ccc1Br)C 34a_100012002257_100000210202 [1,1,0,0,0,0|1,0,1]=4 3808 B11R1.182 CCOc1cc(ccc1Br)C 7a_100012002257_100000210202 [1,1,0,0,0,0|1,0,1]=4 3809 B11R1.182 CCOc1cc(ccc1Br)Cl 34a_100012339455_100000210202 [1,1,0,0,0,0|2,0,0]=4 3810 B11R1.182 CCOc1cc(ccc1Br)Cl 7a_100012339455_100000210202 [1,1,0,0,0,0|2,0,0]=4 3811 B11R1.182 CCOc1cc(ccc1Br)F 34a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 3812 B11R1.182 CCOc1cc(ccc1Br)F 7a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 3813 B11R1.182 CCOc1cc(ccc1Br)I 34a_100012356990_100000210202 [1,1,0,0,0,0|2,0,0]=4 3814 B11R1.182 CCOc1cc(ccc1Br)I 7a_100012356990_100000210202 [1,1,0,0,0,0|2,0,0]=4 3815 B11R1.182 CCOc1cc(ccc1C)Br 34a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 3816 B11R1.182 CCOc1cc(ccc1C)Br 7a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 3817 B11R1.182 CCOc1cc(ccc1C)C 34a_100000210931_100000210202 [1,1,0,0,0,0|1,0,1]=4 3818 B11R1.182 CCOc1cc(ccc1C)C 7a_100000210931_100000210202 [1,1,0,0,0,0|1,0,1]=4 3819 B11R1.182 CCOc1cc(ccc1C)Cl 34a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 3820 B11R1.182 CCOc1cc(ccc1C)Cl 7a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 3821 B11R1.182 CCOc1cc(ccc1C)F 34a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 3822 B11R1.182 CCOc1cc(ccc1C)F 7a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 3823 B11R1.182 CCOc1cc(ccc1C)I 7a_100000766334_100000210202 [1,1,0,0,0,0|2,0,0]=4 3824 B11R1.182 CCOc1cc(ccc1C)N 34a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 3825 B11R1.182 CCOc1cc(ccc1C)N 7a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 3826 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [1,1,0,0,0,0|2,0,0]=4 3827 B11R1.182 CCOc1cc(ccc1Cl)Br 34a_100000738945_100000210202 [1,1,0,0,0,0|2,0,0]=4 3828 B11R1.182 CCOc1cc(ccc1Cl)Br 7a_100000738945_100000210202 [1,1,0,0,0,0|2,0,0]=4 3829 B11R1.182 CCOc1cc(ccc1Cl)C 34a_100000211493_100000210202 [1,1,0,0,0,0|1,0,1]=4 3830 B11R1.182 CCOc1cc(ccc1Cl)C 7a_100000211493_100000210202 [1,1,0,0,0,0|1,0,1]=4 3831 B11R1.182 CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210202 [1,1,0,0,0,0|2,0,0]=4 3832 B11R1.182 CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210202 [1,1,0,0,0,0|2,0,0]=4 3833 B11R1.182 CCOc1cc(ccc1Cl)F 34a_100000692107_100000210202 [1,1,0,0,0,0|2,0,0]=4 3834 B11R1.182 CCOc1cc(ccc1Cl)F 7a_100000692107_100000210202 [1,1,0,0,0,0|2,0,0]=4 3835 B11R1.182 CCOc1cc(ccc1Cl)I 34a_100011356854_100000210202 [1,1,0,0,0,0|2,0,0]=4 3836 B11R1.182 CCOc1cc(ccc1Cl)I 7a_100011356854_100000210202 [1,1,0,0,0,0|2,0,0]=4 3837 B11R1.182 CCOc1cc(ccc1Cl)N 34a_100011934209_100000210202 [1,1,0,0,0,0|2,0,0]=4 3838 B11R1.182 CCOc1cc(ccc1F)Br 34a_100000686035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3839 B11R1.182 CCOc1cc(ccc1F)Br 7a_100000686035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3840 B11R1.182 CCOc1cc(ccc1F)C 34a_100000759540_100000210202 [1,1,0,0,0,0|1,0,1]=4 3841 B11R1.182 CCOc1cc(ccc1F)C 7a_100000759540_100000210202 [1,1,0,0,0,0|1,0,1]=4 3842 B11R1.182 CCOc1cc(ccc1F)Cl 34a_100000757397_100000210202 [1,1,0,0,0,0|2,0,0]=4 3843 B11R1.182 CCOc1cc(ccc1F)Cl 7a_100000757397_100000210202 [1,1,0,0,0,0|2,0,0]=4 3844 B11R1.182 CCOc1cc(ccc1F)F 34a_100000752141_100000210202 [1,1,0,0,0,0|2,0,0]=4 3845 B11R1.182 CCOc1cc(ccc1F)F 7a_100000752141_100000210202 [1,1,0,0,0,0|2,0,0]=4 3846 B11R1.182 CCOc1cc(ccc1F)I 34a_100009958187_100000210202 [1,1,0,0,0,0|2,0,0]=4 3847 B11R1.182 CCOc1cc(ccc1F)I 7a_100009958187_100000210202 [1,1,0,0,0,0|2,0,0]=4 3848 B11R1.182 CCOc1cc(ccc1F)N 34a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 3849 B11R1.182 CCOc1cc(ccc1F)N 7a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 3850 B11R1.182 CCOc1cc(ccc1F)O 271570a_203496583355_200012344967 [1,1,0,0,0,0|2,0,0]=4 3851 B11R1.182 CCOc1cc(ccc1I)Br 34a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 3852 B11R1.182 CCOc1cc(ccc1I)Br 7a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 3853 B11R1.182 CCOc1cc(ccc1I)Cl 34a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3854 B11R1.182 CCOc1cc(ccc1I)Cl 7a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3855 B11R1.182 CCOc1cc(ccc1I)F 34a_100010084537_100000210202 [1,1,0,0,0,0|2,0,0]=4 3856 B11R1.182 CCOc1cc(ccc1I)F 7a_100010084537_100000210202 [1,1,0,0,0,0|2,0,0]=4 3857 B11R1.182 CCOc1cc(ccc1N)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 3858 B11R1.182 CCOc1cc(ccc1N)Br 7a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 3859 B11R1.182 CCOc1cc(ccc1N)C 34a_100000211527_100000210202 [1,1,0,0,0,0|1,0,1]=4 3860 B11R1.182 CCOc1cc(ccc1N)C 7a_100000211527_100000210202 [1,1,0,0,0,0|1,0,1]=4 3861 B11R1.182 CCOc1cc(ccc1N)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 3862 B11R1.182 CCOc1cc(ccc1N)Cl 7a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 3863 B11R1.182 CCOc1cc(ccc1N)F 34a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 3864 B11R1.182 CCOc1cc(ccc1N)F 7a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 3865 B11R1.182 CCOc1cc(ccc1N)I 34a_100000057187_100000210202 [1,1,0,0,0,0|2,0,0]=4 3866 B11R1.182 CCOc1cc(ccc1N)I 7a_100000057187_100000210202 [1,1,0,0,0,0|2,0,0]=4 3867 B11R1.182 CCOc1cc(ccc1N)N 34a_100025717382_100000210202 [1,1,0,0,0,0|2,0,0]=4 3868 B11R1.182 CCOc1cc(ccc1N)O 271570a_203496583355_100000688918 [1,1,0,0,0,0|2,0,0]=4 3869 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,1,0,0,0,0|0,0,1]=3 3870 B11R1.182 CCOc1cc(ccc1O)F 271570a_203496583355_200012340411 [1,1,0,0,0,0|1,0,0]=3 3871 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [1,1,0,0,0,0|1,0,0]=3 3872 B11R1.182 CCSc1cc(ccc1O)Br 62a_100000210202_100012355227 [1,1,0,0,0,0|1,1,0]=4 3873 B11R1.182 CCSc1cc(ccc1O)Br 62a_100012355227_100000210202 [1,1,0,0,0,0|1,1,0]=4 3874 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [1,1,0,0,0,0|0,1,1]=4 3875 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [1,1,0,0,0,0|0,1,1]=4 3876 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100000210202_100011356953 [1,1,0,0,0,0|1,1,0]=4 3877 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100011356953_100000210202 [1,1,0,0,0,0|1,1,0]=4 3878 B11R1.182 CCSc1cc(ccc1O)F 62a_100000210202_100000211999 [1,1,0,0,0,0|1,1,0]=4 3879 B11R1.182 CCSc1cc(ccc1O)F 62a_100000211999_100000210202 [1,1,0,0,0,0|1,1,0]=4 3880 B11R1.182 CCSc1cc(ccc1O)N 62a_100000210202_100011534360 [1,1,0,0,0,0|1,1,0]=4 3881 B11R1.182 CCSc1cc(ccc1O)N 62a_100011534360_100000210202 [1,1,0,0,0,0|1,1,0]=4 3882 B11R1.182 CCSc1cc(ccc1O)O 62a_100000210202_100009813629 [1,1,0,0,0,0|1,1,0]=4 3883 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [1,1,0,0,0,0|2,0,0]=4 3884 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [1,1,0,0,0,0|2,0,0]=4 3885 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [1,1,0,0,0,0|2,0,0]=4 3886 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [1,1,0,0,0,0|2,0,0]=4 3887 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [1,1,0,0,0,0|2,0,0]=4 3888 B11R1.182 COCc1cc(ccc1Br)Br 34a_100011266457_200000210301 [1,1,0,0,0,0|2,0,0]=4 3889 B11R1.182 COCc1cc(ccc1Br)Br 34a_100138415774_100011982794 [1,1,0,0,0,0|2,0,0]=4 3890 B11R1.182 COCc1cc(ccc1Br)Br 7a_100011266457_200000210301 [1,1,0,0,0,0|2,0,0]=4 3891 B11R1.182 COCc1cc(ccc1Br)C 34a_100012361352_200000210301 [1,1,0,0,0,0|1,0,1]=4 3892 B11R1.182 COCc1cc(ccc1Br)C 7a_100012361352_200000210301 [1,1,0,0,0,0|1,0,1]=4 3893 B11R1.182 COCc1cc(ccc1Br)Cl 34a_100012355668_200000210301 [1,1,0,0,0,0|2,0,0]=4 3894 B11R1.182 COCc1cc(ccc1Br)Cl 34a_100138415774_100000733903 [1,1,0,0,0,0|2,0,0]=4 3895 B11R1.182 COCc1cc(ccc1Br)Cl 7a_100012355668_200000210301 [1,1,0,0,0,0|2,0,0]=4 3896 B11R1.182 COCc1cc(ccc1Br)F 34a_100011217561_200000210301 [1,1,0,0,0,0|2,0,0]=4 3897 B11R1.182 COCc1cc(ccc1Br)F 34a_100138415774_100000736370 [1,1,0,0,0,0|2,0,0]=4 3898 B11R1.182 COCc1cc(ccc1Br)F 7a_100011217561_200000210301 [1,1,0,0,0,0|2,0,0]=4 3899 B11R1.182 COCc1cc(ccc1Br)I 34a_100138415774_100012355412 [1,1,0,0,0,0|2,0,0]=4 3900 B11R1.182 COCc1cc(ccc1Br)I 7a_100012359683_200000210301 [1,1,0,0,0,0|2,0,0]=4 3901 B11R1.182 COCc1cc(ccc1Br)N 34a_100012347228_200000210301 [1,1,0,0,0,0|2,0,0]=4 3902 B11R1.182 COCc1cc(ccc1Br)O 271570a_203496583355_202125822959 [1,1,0,0,0,0|2,0,0]=4 3903 B11R1.182 COCc1cc(ccc1C)Br 34a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3904 B11R1.182 COCc1cc(ccc1C)Br 7a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3905 B11R1.182 COCc1cc(ccc1C)C 34a_100138415774_100000184699 [1,1,0,0,0,0|1,0,1]=4 3906 B11R1.182 COCc1cc(ccc1C)C 34a_200011215349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3907 B11R1.182 COCc1cc(ccc1C)C 7a_200011215349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3908 B11R1.182 COCc1cc(ccc1C)Cl 34a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 3909 B11R1.182 COCc1cc(ccc1C)Cl 34a_100138415774_100012186985 [1,1,0,0,0,0|2,0,0]=4 3910 B11R1.182 COCc1cc(ccc1C)Cl 7a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 3911 B11R1.182 COCc1cc(ccc1C)F 34a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 3912 B11R1.182 COCc1cc(ccc1C)F 34a_100138415774_100000709795 [1,1,0,0,0,0|2,0,0]=4 3913 B11R1.182 COCc1cc(ccc1C)F 7a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 3914 B11R1.182 COCc1cc(ccc1C)I 34a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3915 B11R1.182 COCc1cc(ccc1C)I 7a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3916 B11R1.182 COCc1cc(ccc1Cl)Br 34a_100011215897_200000210301 [1,1,0,0,0,0|2,0,0]=4 3917 B11R1.182 COCc1cc(ccc1Cl)Br 34a_100138415774_100000763347 [1,1,0,0,0,0|2,0,0]=4 3918 B11R1.182 COCc1cc(ccc1Cl)Br 7a_100011215897_200000210301 [1,1,0,0,0,0|2,0,0]=4 3919 B11R1.182 COCc1cc(ccc1Cl)C 34a_100009878994_200000210301 [1,1,0,0,0,0|1,0,1]=4 3920 B11R1.182 COCc1cc(ccc1Cl)C 34a_100138415774_100009871730 [1,1,0,0,0,0|1,0,1]=4 3921 B11R1.182 COCc1cc(ccc1Cl)C 7a_100009878994_200000210301 [1,1,0,0,0,0|1,0,1]=4 3922 B11R1.182 COCc1cc(ccc1Cl)Cl 34a_100000698905_200000210301 [1,1,0,0,0,0|2,0,0]=4 3923 B11R1.182 COCc1cc(ccc1Cl)Cl 34a_100138415774_100000756322 [1,1,0,0,0,0|2,0,0]=4 3924 B11R1.182 COCc1cc(ccc1Cl)Cl 7a_100000698905_200000210301 [1,1,0,0,0,0|2,0,0]=4 3925 B11R1.182 COCc1cc(ccc1Cl)F 34a_100011218361_200000210301 [1,1,0,0,0,0|2,0,0]=4 3926 B11R1.182 COCc1cc(ccc1Cl)F 34a_100138415774_100000709952 [1,1,0,0,0,0|2,0,0]=4 3927 B11R1.182 COCc1cc(ccc1Cl)F 7a_100011218361_200000210301 [1,1,0,0,0,0|2,0,0]=4 3928 B11R1.182 COCc1cc(ccc1Cl)I 34a_100010128486_200000210301 [1,1,0,0,0,0|2,0,0]=4 3929 B11R1.182 COCc1cc(ccc1Cl)I 34a_100138415774_100010188191 [1,1,0,0,0,0|2,0,0]=4 3930 B11R1.182 COCc1cc(ccc1Cl)I 7a_100010128486_200000210301 [1,1,0,0,0,0|2,0,0]=4 3931 B11R1.182 COCc1cc(ccc1Cl)N 34a_100011273577_200000210301 [1,1,0,0,0,0|2,0,0]=4 3932 B11R1.182 COCc1cc(ccc1F)Br 34a_100000246282_200000210301 [1,1,0,0,0,0|2,0,0]=4 3933 B11R1.182 COCc1cc(ccc1F)Br 34a_100138415774_100000736399 [1,1,0,0,0,0|2,0,0]=4 3934 B11R1.182 COCc1cc(ccc1F)Br 7a_100000246282_200000210301 [1,1,0,0,0,0|2,0,0]=4 3935 B11R1.182 COCc1cc(ccc1F)C 34a_100011692775_200000210301 [1,1,0,0,0,0|1,0,1]=4 3936 B11R1.182 COCc1cc(ccc1F)C 34a_100138415774_100011260760 [1,1,0,0,0,0|1,0,1]=4 3937 B11R1.182 COCc1cc(ccc1F)C 7a_100011692775_200000210301 [1,1,0,0,0,0|1,0,1]=4 3938 B11R1.182 COCc1cc(ccc1F)Cl 34a_100011217248_200000210301 [1,1,0,0,0,0|2,0,0]=4 3939 B11R1.182 COCc1cc(ccc1F)Cl 34a_100138415774_100000716957 [1,1,0,0,0,0|2,0,0]=4 3940 B11R1.182 COCc1cc(ccc1F)Cl 7a_100011217248_200000210301 [1,1,0,0,0,0|2,0,0]=4 3941 B11R1.182 COCc1cc(ccc1F)F 34a_100011217725_200000210301 [1,1,0,0,0,0|2,0,0]=4 3942 B11R1.182 COCc1cc(ccc1F)F 34a_100138415774_100000741279 [1,1,0,0,0,0|2,0,0]=4 3943 B11R1.182 COCc1cc(ccc1F)F 7a_100011217725_200000210301 [1,1,0,0,0,0|2,0,0]=4 3944 B11R1.182 COCc1cc(ccc1F)I 34a_100000049604_200000210301 [1,1,0,0,0,0|2,0,0]=4 3945 B11R1.182 COCc1cc(ccc1F)I 34a_100138415774_200010149601 [1,1,0,0,0,0|2,0,0]=4 3946 B11R1.182 COCc1cc(ccc1F)I 7a_100000049604_200000210301 [1,1,0,0,0,0|2,0,0]=4 3947 B11R1.182 COCc1cc(ccc1F)N 34a_100011218011_200000210301 [1,1,0,0,0,0|2,0,0]=4 3948 B11R1.182 COCc1cc(ccc1F)O 271570a_203496583355_100010140362 [1,1,0,0,0,0|2,0,0]=4 3949 B11R1.182 COCc1cc(ccc1I)Br 34a_100011356890_200000210301 [1,1,0,0,0,0|2,0,0]=4 3950 B11R1.182 COCc1cc(ccc1I)Br 34a_100138415774_100012362523 [1,1,0,0,0,0|2,0,0]=4 3951 B11R1.182 COCc1cc(ccc1I)Br 7a_100011356890_200000210301 [1,1,0,0,0,0|2,0,0]=4 3952 B11R1.182 COCc1cc(ccc1I)Cl 34a_100138415774_100012348826 [1,1,0,0,0,0|2,0,0]=4 3953 B11R1.182 COCc1cc(ccc1I)F 34a_100010255287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3954 B11R1.182 COCc1cc(ccc1I)F 34a_100138415774_100010149606 [1,1,0,0,0,0|2,0,0]=4 3955 B11R1.182 COCc1cc(ccc1I)F 7a_100010255287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3956 B11R1.182 COCc1cc(ccc1N)Br 34a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 3957 B11R1.182 COCc1cc(ccc1N)Br 7a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 3958 B11R1.182 COCc1cc(ccc1N)C 34a_100011215565_200000210301 [1,1,0,0,0,0|1,0,1]=4 3959 B11R1.182 COCc1cc(ccc1N)C 7a_100011215565_200000210301 [1,1,0,0,0,0|1,0,1]=4 3960 B11R1.182 COCc1cc(ccc1N)Cl 34a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 3961 B11R1.182 COCc1cc(ccc1N)Cl 7a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 3962 B11R1.182 COCc1cc(ccc1N)F 34a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 3963 B11R1.182 COCc1cc(ccc1N)F 7a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 3964 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [1,1,0,0,0,0|1,0,0]=3 3965 B11R1.182 COCc1nc(ccc1O)C 34a_100138415774_100020630696 [1,1,0,0,0,0|1,0,1]=4 3966 B11R1.182 CSCc1cc(ccc1O)F 62a_100010161318_200000210301 [1,1,0,0,0,0|1,1,0]=4 3967 B11R1.182 CSCc1cc(ccc1O)F 62a_200000210301_100010161318 [1,1,0,0,0,0|1,1,0]=4 3968 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 34a_100012361352_200025704644 [1,1,0,0,0,0|1,0,1]=4 3969 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 7a_100012361352_200025704644 [1,1,0,0,0,0|1,0,1]=4 3970 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 34a_200011215349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3971 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 7a_200011215349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3972 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 34a_100009878994_200025704644 [1,1,0,0,0,0|1,0,1]=4 3973 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 7a_100009878994_200025704644 [1,1,0,0,0,0|1,0,1]=4 3974 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 34a_100011692775_200025704644 [1,1,0,0,0,0|1,0,1]=4 3975 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 7a_100011692775_200025704644 [1,1,0,0,0,0|1,0,1]=4 3976 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 34a_100011215565_200025704644 [1,1,0,0,0,0|1,0,1]=4 3977 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 7a_100011215565_200025704644 [1,1,0,0,0,0|1,0,1]=4 3978 B11R1.182 Cc1ccc(c(c1)NCF)O 34a_100011215204_100015361967 [1,1,0,0,0,0|1,0,1]=4 3979 B11R1.182 Cc1ccc(c(c1)OCF)Br 34a_100012002257_100015361967 [1,1,0,0,0,0|1,0,1]=4 3980 B11R1.182 Cc1ccc(c(c1)OCF)Br 7a_100012002257_100015361967 [1,1,0,0,0,0|1,0,1]=4 3981 B11R1.182 Cc1ccc(c(c1)OCF)C 34a_100000210931_100015361967 [1,1,0,0,0,0|1,0,1]=4 3982 B11R1.182 Cc1ccc(c(c1)OCF)C 7a_100000210931_100015361967 [1,1,0,0,0,0|1,0,1]=4 3983 B11R1.182 Cc1ccc(c(c1)OCF)Cl 34a_100000211493_100015361967 [1,1,0,0,0,0|1,0,1]=4 3984 B11R1.182 Cc1ccc(c(c1)OCF)Cl 7a_100000211493_100015361967 [1,1,0,0,0,0|1,0,1]=4 3985 B11R1.182 Cc1ccc(c(c1)OCF)F 34a_100000759540_100015361967 [1,1,0,0,0,0|1,0,1]=4 3986 B11R1.182 Cc1ccc(c(c1)OCF)F 7a_100000759540_100015361967 [1,1,0,0,0,0|1,0,1]=4 3987 B11R1.182 Cc1ccc(c(c1)OCF)N 34a_100000211527_100015361967 [1,1,0,0,0,0|1,0,1]=4 3988 B11R1.182 Cc1ccc(c(c1)OCF)N 7a_100000211527_100015361967 [1,1,0,0,0,0|1,0,1]=4 3989 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100000765521_100015361967 [1,1,0,0,0,0|0,1,1]=4 3990 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100015361967_100000765521 [1,1,0,0,0,0|0,1,1]=4 3991 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 34a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 3992 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 7a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 3993 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 34a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 3994 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 7a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 3995 B11R1.182 Cc1ccc(cc1CO[13CH3])F 34a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 3996 B11R1.182 Cc1ccc(cc1CO[13CH3])F 7a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 3997 B11R1.182 Cc1ccc(cc1CO[13CH3])I 34a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3998 B11R1.182 Cc1ccc(cc1CO[13CH3])I 7a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3999 B11R1.182 Cc1ccc(cc1OCF)Br 34a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 4000 B11R1.182 Cc1ccc(cc1OCF)Br 7a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 4001 B11R1.182 Cc1ccc(cc1OCF)Cl 34a_100000756515_100015361967 [1,1,0,0,0,0|2,0,0]=4 4002 B11R1.182 Cc1ccc(cc1OCF)Cl 7a_100000756515_100015361967 [1,1,0,0,0,0|2,0,0]=4 4003 B11R1.182 Cc1ccc(cc1OCF)F 34a_100000690566_100015361967 [1,1,0,0,0,0|2,0,0]=4 4004 B11R1.182 Cc1ccc(cc1OCF)F 7a_100000690566_100015361967 [1,1,0,0,0,0|2,0,0]=4 4005 B11R1.182 Cc1ccc(cc1OCF)I 7a_100000766334_100015361967 [1,1,0,0,0,0|2,0,0]=4 4006 B11R1.182 Cc1ccc(cc1OCF)N 34a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 4007 B11R1.182 Cc1ccc(cc1OCF)N 7a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 4008 B11R1.182 FCOc1cc(ccc1Br)Br 34a_100011220040_100015361967 [1,1,0,0,0,0|2,0,0]=4 4009 B11R1.182 FCOc1cc(ccc1Br)Br 7a_100011220040_100015361967 [1,1,0,0,0,0|2,0,0]=4 4010 B11R1.182 FCOc1cc(ccc1Br)Cl 34a_100012339455_100015361967 [1,1,0,0,0,0|2,0,0]=4 4011 B11R1.182 FCOc1cc(ccc1Br)Cl 7a_100012339455_100015361967 [1,1,0,0,0,0|2,0,0]=4 4012 B11R1.182 FCOc1cc(ccc1Br)F 34a_100000690578_100015361967 [1,1,0,0,0,0|2,0,0]=4 4013 B11R1.182 FCOc1cc(ccc1Br)F 7a_100000690578_100015361967 [1,1,0,0,0,0|2,0,0]=4 4014 B11R1.182 FCOc1cc(ccc1Br)I 34a_100012356990_100015361967 [1,1,0,0,0,0|2,0,0]=4 4015 B11R1.182 FCOc1cc(ccc1Br)I 7a_100012356990_100015361967 [1,1,0,0,0,0|2,0,0]=4 4016 B11R1.182 FCOc1cc(ccc1Cl)Br 34a_100000738945_100015361967 [1,1,0,0,0,0|2,0,0]=4 4017 B11R1.182 FCOc1cc(ccc1Cl)Br 7a_100000738945_100015361967 [1,1,0,0,0,0|2,0,0]=4 4018 B11R1.182 FCOc1cc(ccc1Cl)Cl 34a_100000211422_100015361967 [1,1,0,0,0,0|2,0,0]=4 4019 B11R1.182 FCOc1cc(ccc1Cl)Cl 7a_100000211422_100015361967 [1,1,0,0,0,0|2,0,0]=4 4020 B11R1.182 FCOc1cc(ccc1Cl)F 34a_100000692107_100015361967 [1,1,0,0,0,0|2,0,0]=4 4021 B11R1.182 FCOc1cc(ccc1Cl)F 7a_100000692107_100015361967 [1,1,0,0,0,0|2,0,0]=4 4022 B11R1.182 FCOc1cc(ccc1Cl)I 34a_100011356854_100015361967 [1,1,0,0,0,0|2,0,0]=4 4023 B11R1.182 FCOc1cc(ccc1Cl)I 7a_100011356854_100015361967 [1,1,0,0,0,0|2,0,0]=4 4024 B11R1.182 FCOc1cc(ccc1F)Br 34a_100000686035_100015361967 [1,1,0,0,0,0|2,0,0]=4 4025 B11R1.182 FCOc1cc(ccc1F)Br 7a_100000686035_100015361967 [1,1,0,0,0,0|2,0,0]=4 4026 B11R1.182 FCOc1cc(ccc1F)Cl 34a_100000757397_100015361967 [1,1,0,0,0,0|2,0,0]=4 4027 B11R1.182 FCOc1cc(ccc1F)Cl 7a_100000757397_100015361967 [1,1,0,0,0,0|2,0,0]=4 4028 B11R1.182 FCOc1cc(ccc1F)F 34a_100000752141_100015361967 [1,1,0,0,0,0|2,0,0]=4 4029 B11R1.182 FCOc1cc(ccc1F)F 7a_100000752141_100015361967 [1,1,0,0,0,0|2,0,0]=4 4030 B11R1.182 FCOc1cc(ccc1F)I 34a_100009958187_100015361967 [1,1,0,0,0,0|2,0,0]=4 4031 B11R1.182 FCOc1cc(ccc1F)I 7a_100009958187_100015361967 [1,1,0,0,0,0|2,0,0]=4 4032 B11R1.182 FCOc1cc(ccc1I)Br 34a_100012344904_100015361967 [1,1,0,0,0,0|2,0,0]=4 4033 B11R1.182 FCOc1cc(ccc1I)Br 7a_100012344904_100015361967 [1,1,0,0,0,0|2,0,0]=4 4034 B11R1.182 FCOc1cc(ccc1I)Cl 34a_100000050036_100015361967 [1,1,0,0,0,0|2,0,0]=4 4035 B11R1.182 FCOc1cc(ccc1I)Cl 7a_100000050036_100015361967 [1,1,0,0,0,0|2,0,0]=4 4036 B11R1.182 FCOc1cc(ccc1I)F 34a_100010084537_100015361967 [1,1,0,0,0,0|2,0,0]=4 4037 B11R1.182 FCOc1cc(ccc1I)F 7a_100010084537_100015361967 [1,1,0,0,0,0|2,0,0]=4 4038 B11R1.182 Nc1ccc(c(c1)OCF)Cl 34a_100011934209_100015361967 [1,1,0,0,0,0|2,0,0]=4 4039 B11R1.182 Nc1ccc(c(c1)OCF)F 34a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 4040 B11R1.182 Nc1ccc(c(c1)OCF)F 7a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 4041 B11R1.182 Nc1ccc(c(c1)OCF)N 34a_100025717382_100015361967 [1,1,0,0,0,0|2,0,0]=4 4042 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100011534360_100015361967 [1,1,0,0,0,0|1,1,0]=4 4043 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100015361967_100011534360 [1,1,0,0,0,0|1,1,0]=4 4044 B11R1.182 Nc1ccc(cc1OCF)Br 34a_100000739049_100015361967 [1,1,0,0,0,0|2,0,0]=4 4045 B11R1.182 Nc1ccc(cc1OCF)Br 7a_100000739049_100015361967 [1,1,0,0,0,0|2,0,0]=4 4046 B11R1.182 Nc1ccc(cc1OCF)Cl 34a_100000185728_100015361967 [1,1,0,0,0,0|2,0,0]=4 4047 B11R1.182 Nc1ccc(cc1OCF)Cl 7a_100000185728_100015361967 [1,1,0,0,0,0|2,0,0]=4 4048 B11R1.182 Nc1ccc(cc1OCF)F 34a_100000753323_100015361967 [1,1,0,0,0,0|2,0,0]=4 4049 B11R1.182 Nc1ccc(cc1OCF)F 7a_100000753323_100015361967 [1,1,0,0,0,0|2,0,0]=4 4050 B11R1.182 Nc1ccc(cc1OCF)I 34a_100000057187_100015361967 [1,1,0,0,0,0|2,0,0]=4 4051 B11R1.182 Nc1ccc(cc1OCF)I 7a_100000057187_100015361967 [1,1,0,0,0,0|2,0,0]=4 4052 B11R1.182 Oc1ccc(c(c1)SCF)O 62a_100015361967_100009813629 [1,1,0,0,0,0|1,1,0]=4 4053 B11R1.182 Oc1ccc(cc1NCF)Br 34a_100000752626_100015361967 [1,1,0,0,0,0|2,0,0]=4 4054 B11R1.182 Oc1ccc(cc1NCF)Cl 34a_100000210500_100015361967 [1,1,0,0,0,0|2,0,0]=4 4055 B11R1.182 Oc1ccc(cc1NCF)F 34a_100000759472_100015361967 [1,1,0,0,0,0|2,0,0]=4 4056 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100012355227_100015361967 [1,1,0,0,0,0|1,1,0]=4 4057 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100015361967_100012355227 [1,1,0,0,0,0|1,1,0]=4 4058 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100011356953_100015361967 [1,1,0,0,0,0|1,1,0]=4 4059 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100015361967_100011356953 [1,1,0,0,0,0|1,1,0]=4 4060 B11R1.182 Oc1ccc(cc1SCF)F 62a_100000211999_100015361967 [1,1,0,0,0,0|1,1,0]=4 4061 B11R1.182 Oc1ccc(cc1SCF)F 62a_100015361967_100000211999 [1,1,0,0,0,0|1,1,0]=4 4062 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [1,1,0,0,0,0|2,0,0]=4 4063 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [1,1,0,0,0,0|2,0,0]=4 4064 B11R1.182 [13CH3]OCc1cc(ccc1Br)Br 34a_100011266457_200025704644 [1,1,0,0,0,0|2,0,0]=4 4065 B11R1.182 [13CH3]OCc1cc(ccc1Br)Br 7a_100011266457_200025704644 [1,1,0,0,0,0|2,0,0]=4 4066 B11R1.182 [13CH3]OCc1cc(ccc1Br)Cl 34a_100012355668_200025704644 [1,1,0,0,0,0|2,0,0]=4 4067 B11R1.182 [13CH3]OCc1cc(ccc1Br)Cl 7a_100012355668_200025704644 [1,1,0,0,0,0|2,0,0]=4 4068 B11R1.182 [13CH3]OCc1cc(ccc1Br)F 34a_100011217561_200025704644 [1,1,0,0,0,0|2,0,0]=4 4069 B11R1.182 [13CH3]OCc1cc(ccc1Br)F 7a_100011217561_200025704644 [1,1,0,0,0,0|2,0,0]=4 4070 B11R1.182 [13CH3]OCc1cc(ccc1Br)I 7a_100012359683_200025704644 [1,1,0,0,0,0|2,0,0]=4 4071 B11R1.182 [13CH3]OCc1cc(ccc1Br)N 34a_100012347228_200025704644 [1,1,0,0,0,0|2,0,0]=4 4072 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Br 34a_100011215897_200025704644 [1,1,0,0,0,0|2,0,0]=4 4073 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Br 7a_100011215897_200025704644 [1,1,0,0,0,0|2,0,0]=4 4074 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Cl 34a_100000698905_200025704644 [1,1,0,0,0,0|2,0,0]=4 4075 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Cl 7a_100000698905_200025704644 [1,1,0,0,0,0|2,0,0]=4 4076 B11R1.182 [13CH3]OCc1cc(ccc1Cl)F 34a_100011218361_200025704644 [1,1,0,0,0,0|2,0,0]=4 4077 B11R1.182 [13CH3]OCc1cc(ccc1Cl)F 7a_100011218361_200025704644 [1,1,0,0,0,0|2,0,0]=4 4078 B11R1.182 [13CH3]OCc1cc(ccc1Cl)I 34a_100010128486_200025704644 [1,1,0,0,0,0|2,0,0]=4 4079 B11R1.182 [13CH3]OCc1cc(ccc1Cl)I 7a_100010128486_200025704644 [1,1,0,0,0,0|2,0,0]=4 4080 B11R1.182 [13CH3]OCc1cc(ccc1Cl)N 34a_100011273577_200025704644 [1,1,0,0,0,0|2,0,0]=4 4081 B11R1.182 [13CH3]OCc1cc(ccc1F)Br 34a_100000246282_200025704644 [1,1,0,0,0,0|2,0,0]=4 4082 B11R1.182 [13CH3]OCc1cc(ccc1F)Br 7a_100000246282_200025704644 [1,1,0,0,0,0|2,0,0]=4 4083 B11R1.182 [13CH3]OCc1cc(ccc1F)Cl 34a_100011217248_200025704644 [1,1,0,0,0,0|2,0,0]=4 4084 B11R1.182 [13CH3]OCc1cc(ccc1F)Cl 7a_100011217248_200025704644 [1,1,0,0,0,0|2,0,0]=4 4085 B11R1.182 [13CH3]OCc1cc(ccc1F)F 34a_100011217725_200025704644 [1,1,0,0,0,0|2,0,0]=4 4086 B11R1.182 [13CH3]OCc1cc(ccc1F)F 7a_100011217725_200025704644 [1,1,0,0,0,0|2,0,0]=4 4087 B11R1.182 [13CH3]OCc1cc(ccc1F)I 34a_100000049604_200025704644 [1,1,0,0,0,0|2,0,0]=4 4088 B11R1.182 [13CH3]OCc1cc(ccc1F)I 7a_100000049604_200025704644 [1,1,0,0,0,0|2,0,0]=4 4089 B11R1.182 [13CH3]OCc1cc(ccc1F)N 34a_100011218011_200025704644 [1,1,0,0,0,0|2,0,0]=4 4090 B11R1.182 [13CH3]OCc1cc(ccc1I)Br 34a_100011356890_200025704644 [1,1,0,0,0,0|2,0,0]=4 4091 B11R1.182 [13CH3]OCc1cc(ccc1I)Br 7a_100011356890_200025704644 [1,1,0,0,0,0|2,0,0]=4 4092 B11R1.182 [13CH3]OCc1cc(ccc1I)F 34a_100010255287_200025704644 [1,1,0,0,0,0|2,0,0]=4 4093 B11R1.182 [13CH3]OCc1cc(ccc1I)F 7a_100010255287_200025704644 [1,1,0,0,0,0|2,0,0]=4 4094 B11R1.182 [13CH3]OCc1cc(ccc1N)Br 34a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 4095 B11R1.182 [13CH3]OCc1cc(ccc1N)Br 7a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 4096 B11R1.182 [13CH3]OCc1cc(ccc1N)Cl 34a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 4097 B11R1.182 [13CH3]OCc1cc(ccc1N)Cl 7a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 4098 B11R1.182 [13CH3]OCc1cc(ccc1N)F 34a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 4099 B11R1.182 [13CH3]OCc1cc(ccc1N)F 7a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 4100 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_100010161318_200025704644 [1,1,0,0,0,0|1,1,0]=4 4101 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_200025704644_100010161318 [1,1,0,0,0,0|1,1,0]=4 4102 B11R1.277 CCc1cc(c(cc1O)F)O 271570a_203496583355_100011156610 [1,1,0,0,0,0|2,0,0]=4 4103 B11R1.277 CNc1cc(c(cc1O)Br)Br 7a_200010781931_200000210301 [1,1,0,0,0,0|2,0,0]=4 4104 B11R1.277 CNc1cc(c(cc1O)Br)C 34a_200010107346_200000210301 [1,1,0,0,0,0|1,0,1]=4 4105 B11R1.277 CNc1cc(c(cc1O)Br)F 34a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4106 B11R1.277 CNc1cc(c(cc1O)Br)F 7a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4107 B11R1.277 CNc1cc(c(cc1O)C)Br 34a_200010235796_200000210301 [1,1,0,0,0,0|2,0,0]=4 4108 B11R1.277 CNc1cc(c(cc1O)C)Br 7a_200010235796_200000210301 [1,1,0,0,0,0|2,0,0]=4 4109 B11R1.277 CNc1cc(c(cc1O)C)C 34a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 4110 B11R1.277 CNc1cc(c(cc1O)C)C 7a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 4111 B11R1.277 CNc1cc(c(cc1O)C)Cl 34a_100000091707_200000210301 [1,1,0,0,0,0|2,0,0]=4 4112 B11R1.277 CNc1cc(c(cc1O)Cl)Br 34a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4113 B11R1.277 CNc1cc(c(cc1O)Cl)Br 7a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4114 B11R1.277 CNc1cc(c(cc1O)Cl)Cl 34a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4115 B11R1.277 CNc1cc(c(cc1O)Cl)Cl 7a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4116 B11R1.277 CNc1cc(c(cc1O)F)Br 34a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4117 B11R1.277 CNc1cc(c(cc1O)F)Br 7a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4118 B11R1.277 CNc1cc(c(cc1O)F)C 34a_100012022779_200000210301 [1,1,0,0,0,0|1,0,1]=4 4119 B11R1.277 CNc1cc(c(cc1O)F)C 7a_100012022779_200000210301 [1,1,0,0,0,0|1,0,1]=4 4120 B11R1.277 CNc1cc(c(cc1O)F)F 2230a_106722365970_200000210301 [1,1,0,0,0,0|2,0,0]=4 4121 B11R1.277 CNc1cc(c(cc1O)F)F 34a_106722365970_200000210301 [1,1,0,0,0,0|2,0,0]=4 4122 B11R1.277 CNc1cc(c(cc1O)F)F 7a_106722365970_200000210301 [1,1,0,0,0,0|2,0,0]=4 4123 B11R1.277 COc1cc(c(cc1Br)Br)O 271570a_203496583355_200014006352 [1,1,0,0,0,0|2,0,0]=4 4124 B11R1.277 COc1cc(c(cc1Br)C)C 34a_100009814663_200000210301 [1,1,0,0,0,0|1,0,1]=4 4125 B11R1.277 COc1cc(c(cc1Br)C)C 7a_100009814663_200000210301 [1,1,0,0,0,0|1,0,1]=4 4126 B11R1.277 COc1cc(c(cc1Br)Cl)C 34a_100022700756_200000210301 [1,1,0,0,0,0|1,0,1]=4 4127 B11R1.277 COc1cc(c(cc1Br)Cl)C 7a_100022700756_200000210301 [1,1,0,0,0,0|1,0,1]=4 4128 B11R1.277 COc1cc(c(cc1Br)F)F 34a_100009813768_200000210301 [1,1,0,0,0,0|2,0,0]=4 4129 B11R1.277 COc1cc(c(cc1Br)F)F 7a_100009813768_200000210301 [1,1,0,0,0,0|2,0,0]=4 4130 B11R1.277 COc1cc(c(cc1Br)N)Br 34a_100011080774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4131 B11R1.277 COc1cc(c(cc1Br)N)Br 7a_100011080774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4132 B11R1.277 COc1cc(c(cc1C)Br)C 34a_100000698207_200000210301 [1,1,0,0,0,0|1,0,1]=4 4133 B11R1.277 COc1cc(c(cc1C)Br)C 7a_100000698207_200000210301 [1,1,0,0,0,0|1,0,1]=4 4134 B11R1.277 COc1cc(c(cc1C)C)C 34a_200000047129_200000210301 [1,1,0,0,0,0|1,0,1]=4 4135 B11R1.277 COc1cc(c(cc1C)C)C 7a_200000047129_200000210301 [1,1,0,0,0,0|1,0,1]=4 4136 B11R1.277 COc1cc(c(cc1C)Cl)N 34a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 4137 B11R1.277 COc1cc(c(cc1C)Cl)N 7a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 4138 B11R1.277 COc1cc(c(cc1C)F)Br 34a_100014242602_200000210301 [1,1,0,0,0,0|2,0,0]=4 4139 B11R1.277 COc1cc(c(cc1C)F)Br 7a_100014242602_200000210301 [1,1,0,0,0,0|2,0,0]=4 4140 B11R1.277 COc1cc(c(cc1C)F)C 34a_100010674473_200000210301 [1,1,0,0,0,0|1,0,1]=4 4141 B11R1.277 COc1cc(c(cc1C)F)C 7a_100010674473_200000210301 [1,1,0,0,0,0|1,0,1]=4 4142 B11R1.277 COc1cc(c(cc1C)F)F 34a_100000728840_200000210301 [1,1,0,0,0,0|2,0,0]=4 4143 B11R1.277 COc1cc(c(cc1C)F)F 7a_100000728840_200000210301 [1,1,0,0,0,0|2,0,0]=4 4144 B11R1.277 COc1cc(c(cc1C)F)I 34a_100010080512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4145 B11R1.277 COc1cc(c(cc1C)F)I 7a_100010080512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4146 B11R1.277 COc1cc(c(cc1C)F)N 34a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4147 B11R1.277 COc1cc(c(cc1C)F)N 7a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4148 B11R1.277 COc1cc(c(cc1C)I)C 34a_200011215153_200000210301 [1,1,0,0,0,0|1,0,1]=4 4149 B11R1.277 COc1cc(c(cc1C)I)C 7a_200011215153_200000210301 [1,1,0,0,0,0|1,0,1]=4 4150 B11R1.277 COc1cc(c(cc1C)N)C 34a_100000720036_200000210301 [1,1,0,0,0,0|1,0,1]=4 4151 B11R1.277 COc1cc(c(cc1C)N)C 7a_100000720036_200000210301 [1,1,0,0,0,0|1,0,1]=4 4152 B11R1.277 COc1cc(c(cc1C)N)O 271570a_203496583355_200010584344 [1,1,0,0,0,0|2,0,0]=4 4153 B11R1.277 COc1cc(c(cc1C)O)C 271570a_203496583355_100000698960 [1,1,0,0,0,0|1,0,1]=4 4154 B11R1.277 COc1cc(c(cc1C)O)N 271570a_203496583355_100010244135 [1,1,0,0,0,0|2,0,0]=4 4155 B11R1.277 COc1cc(c(cc1Cl)Br)C 34a_200012350488_200000210301 [1,1,0,0,0,0|1,0,1]=4 4156 B11R1.277 COc1cc(c(cc1Cl)Br)C 7a_200012350488_200000210301 [1,1,0,0,0,0|1,0,1]=4 4157 B11R1.277 COc1cc(c(cc1Cl)Br)Cl 34a_100000719705_200000210301 [1,1,0,0,0,0|2,0,0]=4 4158 B11R1.277 COc1cc(c(cc1Cl)Br)Cl 7a_100000719705_200000210301 [1,1,0,0,0,0|2,0,0]=4 4159 B11R1.277 COc1cc(c(cc1Cl)Br)F 34a_100000726166_200000210301 [1,1,0,0,0,0|2,0,0]=4 4160 B11R1.277 COc1cc(c(cc1Cl)Br)F 7a_100000726166_200000210301 [1,1,0,0,0,0|2,0,0]=4 4161 B11R1.277 COc1cc(c(cc1Cl)Br)I 34a_100021297947_200000210301 [1,1,0,0,0,0|2,0,0]=4 4162 B11R1.277 COc1cc(c(cc1Cl)Br)I 7a_100021297947_200000210301 [1,1,0,0,0,0|2,0,0]=4 4163 B11R1.277 COc1cc(c(cc1Cl)C)C 34a_100000031796_200000210301 [1,1,0,0,0,0|1,0,1]=4 4164 B11R1.277 COc1cc(c(cc1Cl)C)C 7a_100000031796_200000210301 [1,1,0,0,0,0|1,0,1]=4 4165 B11R1.277 COc1cc(c(cc1Cl)C)N 34a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 4166 B11R1.277 COc1cc(c(cc1Cl)C)N 7a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 4167 B11R1.277 COc1cc(c(cc1Cl)Cl)Br 34a_100010203734_200000210301 [1,1,0,0,0,0|2,0,0]=4 4168 B11R1.277 COc1cc(c(cc1Cl)Cl)Br 7a_100010203734_200000210301 [1,1,0,0,0,0|2,0,0]=4 4169 B11R1.277 COc1cc(c(cc1Cl)Cl)C 34a_100012002691_200000210301 [1,1,0,0,0,0|1,0,1]=4 4170 B11R1.277 COc1cc(c(cc1Cl)Cl)C 7a_100012002691_200000210301 [1,1,0,0,0,0|1,0,1]=4 4171 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_200000210301 [1,1,0,0,0,0|2,0,0]=4 4172 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_200000210301 [1,1,0,0,0,0|2,0,0]=4 4173 B11R1.277 COc1cc(c(cc1Cl)Cl)N 34a_100000037174_200000210301 [1,1,0,0,0,0|2,0,0]=4 4174 B11R1.277 COc1cc(c(cc1Cl)Cl)N 7a_100000037174_200000210301 [1,1,0,0,0,0|2,0,0]=4 4175 B11R1.277 COc1cc(c(cc1Cl)F)Br 34a_100010189047_200000210301 [1,1,0,0,0,0|2,0,0]=4 4176 B11R1.277 COc1cc(c(cc1Cl)F)Br 7a_100010189047_200000210301 [1,1,0,0,0,0|2,0,0]=4 4177 B11R1.277 COc1cc(c(cc1Cl)F)F 34a_100009848785_200000210301 [1,1,0,0,0,0|2,0,0]=4 4178 B11R1.277 COc1cc(c(cc1Cl)F)F 7a_100009848785_200000210301 [1,1,0,0,0,0|2,0,0]=4 4179 B11R1.277 COc1cc(c(cc1Cl)F)I 34a_100010735246_200000210301 [1,1,0,0,0,0|2,0,0]=4 4180 B11R1.277 COc1cc(c(cc1Cl)F)I 7a_100010735246_200000210301 [1,1,0,0,0,0|2,0,0]=4 4181 B11R1.277 COc1cc(c(cc1Cl)F)N 34a_100000042052_200000210301 [1,1,0,0,0,0|2,0,0]=4 4182 B11R1.277 COc1cc(c(cc1Cl)F)N 7a_100000042052_200000210301 [1,1,0,0,0,0|2,0,0]=4 4183 B11R1.277 COc1cc(c(cc1Cl)F)O 271570a_203496583355_100010739614 [1,1,0,0,0,0|2,0,0]=4 4184 B11R1.277 COc1cc(c(cc1Cl)N)Cl 34a_100012000071_200000210301 [1,1,0,0,0,0|2,0,0]=4 4185 B11R1.277 COc1cc(c(cc1Cl)N)Cl 7a_100012000071_200000210301 [1,1,0,0,0,0|2,0,0]=4 4186 B11R1.277 COc1cc(c(cc1F)Br)C 34a_100012355673_200000210301 [1,1,0,0,0,0|1,0,1]=4 4187 B11R1.277 COc1cc(c(cc1F)Br)C 7a_100012355673_200000210301 [1,1,0,0,0,0|1,0,1]=4 4188 B11R1.277 COc1cc(c(cc1F)Br)F 34a_100011830439_200000210301 [1,1,0,0,0,0|2,0,0]=4 4189 B11R1.277 COc1cc(c(cc1F)Br)F 7a_100011830439_200000210301 [1,1,0,0,0,0|2,0,0]=4 4190 B11R1.277 COc1cc(c(cc1F)C)Br 34a_100010068922_200000210301 [1,1,0,0,0,0|2,0,0]=4 4191 B11R1.277 COc1cc(c(cc1F)C)Br 7a_100010068922_200000210301 [1,1,0,0,0,0|2,0,0]=4 4192 B11R1.277 COc1cc(c(cc1F)C)O 271570a_203496583355_100011009880 [1,1,0,0,0,0|2,0,0]=4 4193 B11R1.277 COc1cc(c(cc1F)F)Br 34a_100012457948_200000210301 [1,1,0,0,0,0|2,0,0]=4 4194 B11R1.277 COc1cc(c(cc1F)F)Br 7a_100012457948_200000210301 [1,1,0,0,0,0|2,0,0]=4 4195 B11R1.277 COc1cc(c(cc1F)F)F 34a_100000237555_200000210301 [1,1,0,0,0,0|2,0,0]=4 4196 B11R1.277 COc1cc(c(cc1F)F)F 7a_100000237555_200000210301 [1,1,0,0,0,0|2,0,0]=4 4197 B11R1.277 COc1cc(c(cc1F)F)I 34a_100015789030_200000210301 [1,1,0,0,0,0|2,0,0]=4 4198 B11R1.277 COc1cc(c(cc1F)F)I 7a_100015789030_200000210301 [1,1,0,0,0,0|2,0,0]=4 4199 B11R1.277 COc1cc(c(cc1F)F)N 34a_100011219470_200000210301 [1,1,0,0,0,0|2,0,0]=4 4200 B11R1.277 COc1cc(c(cc1F)F)N 7a_100011219470_200000210301 [1,1,0,0,0,0|2,0,0]=4 4201 B11R1.277 COc1cc(c(cc1F)F)O 271570a_203496583355_200015541288 [1,1,0,0,0,0|2,0,0]=4 4202 B11R1.277 COc1cc(c(cc1F)N)Cl 34a_100009886023_200000210301 [1,1,0,0,0,0|2,0,0]=4 4203 B11R1.277 COc1cc(c(cc1F)N)Cl 7a_100009886023_200000210301 [1,1,0,0,0,0|2,0,0]=4 4204 B11R1.277 COc1cc(c(cc1F)N)F 34a_100020635945_200000210301 [1,1,0,0,0,0|2,0,0]=4 4205 B11R1.277 COc1cc(c(cc1F)N)F 7a_100020635945_200000210301 [1,1,0,0,0,0|2,0,0]=4 4206 B11R1.277 COc1cc(c(cc1F)N)O 271570a_203496583355_100010365326 [1,1,0,0,0,0|2,0,0]=4 4207 B11R1.277 COc1cc(c(cc1F)O)C 271570a_203496583355_100010074640 [1,1,0,0,0,0|1,0,1]=4 4208 B11R1.277 COc1cc(c(cc1F)O)F 271570a_203496583355_100009813720 [1,1,0,0,0,0|2,0,0]=4 4209 B11R1.277 COc1cc(c(cc1F)O)N 271570a_203496583355_100010208193 [1,1,0,0,0,0|2,0,0]=4 4210 B11R1.277 COc1cc(c(cc1I)F)F 34a_100010749349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4211 B11R1.277 COc1cc(c(cc1I)F)F 7a_100010749349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4212 B11R1.277 COc1cc(c(cc1N)Br)Br 34a_200010781931_200000210301 [1,1,0,0,0,0|2,0,0]=4 4213 B11R1.277 COc1cc(c(cc1N)Br)Br 7a_200010781931_200000210301 [1,1,0,0,0,0|2,0,0]=4 4214 B11R1.277 COc1cc(c(cc1N)Br)C 34a_200010235796_200000210301 [1,1,0,0,0,0|1,0,1]=4 4215 B11R1.277 COc1cc(c(cc1N)Br)C 7a_200010235796_200000210301 [1,1,0,0,0,0|1,0,1]=4 4216 B11R1.277 COc1cc(c(cc1N)Br)Cl 34a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4217 B11R1.277 COc1cc(c(cc1N)Br)Cl 7a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4218 B11R1.277 COc1cc(c(cc1N)Br)F 34a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4219 B11R1.277 COc1cc(c(cc1N)Br)F 7a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4220 B11R1.277 COc1cc(c(cc1N)C)Br 34a_200010107346_200000210301 [1,1,0,0,0,0|2,0,0]=4 4221 B11R1.277 COc1cc(c(cc1N)C)Br 7a_200010107346_200000210301 [1,1,0,0,0,0|2,0,0]=4 4222 B11R1.277 COc1cc(c(cc1N)C)C 34a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 4223 B11R1.277 COc1cc(c(cc1N)C)C 7a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 4224 B11R1.277 COc1cc(c(cc1N)C)F 34a_100012022779_200000210301 [1,1,0,0,0,0|2,0,0]=4 4225 B11R1.277 COc1cc(c(cc1N)C)F 7a_100012022779_200000210301 [1,1,0,0,0,0|2,0,0]=4 4226 B11R1.277 COc1cc(c(cc1N)C)O 271570a_203496583355_100010141321 [1,1,0,0,0,0|2,0,0]=4 4227 B11R1.277 COc1cc(c(cc1N)Cl)C 34a_100000091707_200000210301 [1,1,0,0,0,0|1,0,1]=4 4228 B11R1.277 COc1cc(c(cc1N)Cl)C 7a_100000091707_200000210301 [1,1,0,0,0,0|1,0,1]=4 4229 B11R1.277 COc1cc(c(cc1N)Cl)Cl 34a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4230 B11R1.277 COc1cc(c(cc1N)Cl)Cl 7a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4231 B11R1.277 COc1cc(c(cc1N)F)Br 34a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4232 B11R1.277 COc1cc(c(cc1N)F)Br 7a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4233 B11R1.277 COc1cc(c(cc1N)F)F 34a_100011217416_200000210301 [1,1,0,0,0,0|2,0,0]=4 4234 B11R1.277 COc1cc(c(cc1N)F)F 7a_100011217416_200000210301 [1,1,0,0,0,0|2,0,0]=4 4235 B11R1.277 COc1cc(c(cc1N)F)O 271570a_203496583355_100012766639 [1,1,0,0,0,0|2,0,0]=4 4236 B11R1.277 COc1cc(c(cc1N)I)Cl 34a_100011011175_200000210301 [1,1,0,0,0,0|2,0,0]=4 4237 B11R1.277 COc1cc(c(cc1N)I)Cl 7a_100011011175_200000210301 [1,1,0,0,0,0|2,0,0]=4 4238 B11R1.277 COc1cc(c(cc1N)O)Cl 271570a_203496583355_100011011177 [1,1,0,0,0,0|2,0,0]=4 4239 B11R1.277 COc1cc(c(cc1N)O)F 271570a_203496583355_100012361397 [1,1,0,0,0,0|2,0,0]=4 4240 B11R1.277 COc1cc(c(cc1O)C)F 271570a_203496583355_100010201977 [1,1,0,0,0,0|1,0,0]=3 4241 B11R1.277 COc1cc(c(cc1O)C)N 271570a_203496583355_100010232211 [1,1,0,0,0,0|1,0,0]=3 4242 B11R1.277 COc1cc(c(cc1O)F)F 271570a_203496583355_100009813744 [1,1,0,0,0,0|1,0,0]=3 4243 B11R1.277 COc1cc(c(cc1O)F)O 271570a_203496583355_100010189133 [1,1,0,0,0,0|1,0,0]=3 4244 B11R1.277 COc1cc(c(cc1O)N)C 271570a_203496583355_106657271712 [1,1,0,0,0,0|0,0,1]=3 4245 B11R1.277 COc1cc(c(cc1O)N)N 271570a_203496583355_100012769537 [1,1,0,0,0,0|1,0,0]=3 4246 B11R1.277 CSc1cc(c(cc1O)C)C 62a_100009814663_200000210301 [1,1,0,0,0,0|0,1,1]=4 4247 B11R1.277 CSc1cc(c(cc1O)C)C 62a_200000210301_100009814663 [1,1,0,0,0,0|0,1,1]=4 4248 B11R1.277 CSc1cc(c(cc1O)F)F 62a_100009813768_200000210301 [1,1,0,0,0,0|1,1,0]=4 4249 B11R1.277 CSc1cc(c(cc1O)F)F 62a_200000210301_100009813768 [1,1,0,0,0,0|1,1,0]=4 4250 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 34a_100000698207_200025704644 [1,1,0,0,0,0|1,0,1]=4 4251 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 7a_100000698207_200025704644 [1,1,0,0,0,0|1,0,1]=4 4252 B11R1.277 Cc1cc(c(cc1Br)Cl)O[13CH3] 34a_200012350488_200025704644 [1,1,0,0,0,0|1,0,1]=4 4253 B11R1.277 Cc1cc(c(cc1Br)Cl)O[13CH3] 7a_200012350488_200025704644 [1,1,0,0,0,0|1,0,1]=4 4254 B11R1.277 Cc1cc(c(cc1Br)F)O[13CH3] 34a_100012355673_200025704644 [1,1,0,0,0,0|1,0,1]=4 4255 B11R1.277 Cc1cc(c(cc1Br)F)O[13CH3] 7a_100012355673_200025704644 [1,1,0,0,0,0|1,0,1]=4 4256 B11R1.277 Cc1cc(c(cc1Br)N)O[13CH3] 34a_200010235796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4257 B11R1.277 Cc1cc(c(cc1Br)N)O[13CH3] 7a_200010235796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4258 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])O 34a_200010235796_200025704644 [1,1,0,0,0,0|2,0,0]=4 4259 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])O 7a_200010235796_200025704644 [1,1,0,0,0,0|2,0,0]=4 4260 B11R1.277 Cc1cc(c(cc1Br)O)N[13CH3] 34a_200010107346_200025704644 [1,1,0,0,0,0|1,0,1]=4 4261 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])F 34a_100010068922_200025704644 [1,1,0,0,0,0|2,0,0]=4 4262 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])F 7a_100010068922_200025704644 [1,1,0,0,0,0|2,0,0]=4 4263 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])N 34a_200010107346_200025704644 [1,1,0,0,0,0|2,0,0]=4 4264 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])N 7a_200010107346_200025704644 [1,1,0,0,0,0|2,0,0]=4 4265 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 34a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 4266 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 7a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 4267 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Br 34a_100009814663_200025704644 [1,1,0,0,0,0|1,0,1]=4 4268 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Br 7a_100009814663_200025704644 [1,1,0,0,0,0|1,0,1]=4 4269 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 34a_200000047129_200025704644 [1,1,0,0,0,0|1,0,1]=4 4270 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 7a_200000047129_200025704644 [1,1,0,0,0,0|1,0,1]=4 4271 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Cl 34a_100000031796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4272 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Cl 7a_100000031796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4273 B11R1.277 Cc1cc(c(cc1C)O[13CH3])N 34a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 4274 B11R1.277 Cc1cc(c(cc1C)O[13CH3])N 7a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 4275 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_100009814663_200025704644 [1,1,0,0,0,0|0,1,1]=4 4276 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_200025704644_100009814663 [1,1,0,0,0,0|0,1,1]=4 4277 B11R1.277 Cc1cc(c(cc1Cl)Br)O[13CH3] 34a_100022700756_200025704644 [1,1,0,0,0,0|1,0,1]=4 4278 B11R1.277 Cc1cc(c(cc1Cl)Br)O[13CH3] 7a_100022700756_200025704644 [1,1,0,0,0,0|1,0,1]=4 4279 B11R1.277 Cc1cc(c(cc1Cl)Cl)O[13CH3] 34a_100012002691_200025704644 [1,1,0,0,0,0|1,0,1]=4 4280 B11R1.277 Cc1cc(c(cc1Cl)Cl)O[13CH3] 7a_100012002691_200025704644 [1,1,0,0,0,0|1,0,1]=4 4281 B11R1.277 Cc1cc(c(cc1Cl)N)O[13CH3] 34a_100000091707_200025704644 [1,1,0,0,0,0|1,0,1]=4 4282 B11R1.277 Cc1cc(c(cc1Cl)N)O[13CH3] 7a_100000091707_200025704644 [1,1,0,0,0,0|1,0,1]=4 4283 B11R1.277 Cc1cc(c(cc1Cl)N[13CH3])O 34a_100000091707_200025704644 [1,1,0,0,0,0|2,0,0]=4 4284 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 34a_100010674473_200025704644 [1,1,0,0,0,0|1,0,1]=4 4285 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 7a_100010674473_200025704644 [1,1,0,0,0,0|1,0,1]=4 4286 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 34a_100012022779_200025704644 [1,1,0,0,0,0|1,0,1]=4 4287 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 7a_100012022779_200025704644 [1,1,0,0,0,0|1,0,1]=4 4288 B11R1.277 Cc1cc(c(cc1F)O[13CH3])N 34a_100012022779_200025704644 [1,1,0,0,0,0|2,0,0]=4 4289 B11R1.277 Cc1cc(c(cc1F)O[13CH3])N 7a_100012022779_200025704644 [1,1,0,0,0,0|2,0,0]=4 4290 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 34a_200011215153_200025704644 [1,1,0,0,0,0|1,0,1]=4 4291 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 7a_200011215153_200025704644 [1,1,0,0,0,0|1,0,1]=4 4292 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 34a_100000720036_200025704644 [1,1,0,0,0,0|1,0,1]=4 4293 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 7a_100000720036_200025704644 [1,1,0,0,0,0|1,0,1]=4 4294 B11R1.277 Cc1cc(c(cc1N)O[13CH3])Cl 34a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4295 B11R1.277 Cc1cc(c(cc1N)O[13CH3])Cl 7a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4296 B11R1.277 Cc1cc(c(cc1O[13CH3])Br)F 34a_100014242602_200025704644 [1,1,0,0,0,0|2,0,0]=4 4297 B11R1.277 Cc1cc(c(cc1O[13CH3])Br)F 7a_100014242602_200025704644 [1,1,0,0,0,0|2,0,0]=4 4298 B11R1.277 Cc1cc(c(cc1O[13CH3])F)F 34a_100000728840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4299 B11R1.277 Cc1cc(c(cc1O[13CH3])F)F 7a_100000728840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4300 B11R1.277 Cc1cc(c(cc1O[13CH3])I)F 34a_100010080512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4301 B11R1.277 Cc1cc(c(cc1O[13CH3])I)F 7a_100010080512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4302 B11R1.277 Cc1cc(c(cc1O[13CH3])N)Cl 34a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4303 B11R1.277 Cc1cc(c(cc1O[13CH3])N)Cl 7a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4304 B11R1.277 Cc1cc(c(cc1O[13CH3])N)F 34a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4305 B11R1.277 Cc1cc(c(cc1O[13CH3])N)F 7a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4306 B11R1.277 [13CH3]Nc1cc(c(cc1O)Br)Br 7a_200010781931_200025704644 [1,1,0,0,0,0|2,0,0]=4 4307 B11R1.277 [13CH3]Nc1cc(c(cc1O)Br)F 34a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4308 B11R1.277 [13CH3]Nc1cc(c(cc1O)Br)F 7a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4309 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Br 34a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4310 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Br 7a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4311 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Cl 34a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4312 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Cl 7a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4313 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)Br 34a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4314 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)Br 7a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4315 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)F 2230a_106722365970_200025704644 [1,1,0,0,0,0|2,0,0]=4 4316 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)F 34a_106722365970_200025704644 [1,1,0,0,0,0|2,0,0]=4 4317 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)F 7a_106722365970_200025704644 [1,1,0,0,0,0|2,0,0]=4 4318 B11R1.277 [13CH3]Oc1cc(c(cc1Br)F)F 34a_100009813768_200025704644 [1,1,0,0,0,0|2,0,0]=4 4319 B11R1.277 [13CH3]Oc1cc(c(cc1Br)F)F 7a_100009813768_200025704644 [1,1,0,0,0,0|2,0,0]=4 4320 B11R1.277 [13CH3]Oc1cc(c(cc1Br)N)Br 34a_100011080774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4321 B11R1.277 [13CH3]Oc1cc(c(cc1Br)N)Br 7a_100011080774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4322 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)Cl 34a_100000719705_200025704644 [1,1,0,0,0,0|2,0,0]=4 4323 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)Cl 7a_100000719705_200025704644 [1,1,0,0,0,0|2,0,0]=4 4324 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)F 34a_100000726166_200025704644 [1,1,0,0,0,0|2,0,0]=4 4325 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)F 7a_100000726166_200025704644 [1,1,0,0,0,0|2,0,0]=4 4326 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)I 34a_100021297947_200025704644 [1,1,0,0,0,0|2,0,0]=4 4327 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)I 7a_100021297947_200025704644 [1,1,0,0,0,0|2,0,0]=4 4328 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Br 34a_100010203734_200025704644 [1,1,0,0,0,0|2,0,0]=4 4329 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Br 7a_100010203734_200025704644 [1,1,0,0,0,0|2,0,0]=4 4330 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_200025704644 [1,1,0,0,0,0|2,0,0]=4 4331 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_200025704644 [1,1,0,0,0,0|2,0,0]=4 4332 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)N 34a_100000037174_200025704644 [1,1,0,0,0,0|2,0,0]=4 4333 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)N 7a_100000037174_200025704644 [1,1,0,0,0,0|2,0,0]=4 4334 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)Br 34a_100010189047_200025704644 [1,1,0,0,0,0|2,0,0]=4 4335 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)Br 7a_100010189047_200025704644 [1,1,0,0,0,0|2,0,0]=4 4336 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)F 34a_100009848785_200025704644 [1,1,0,0,0,0|2,0,0]=4 4337 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)F 7a_100009848785_200025704644 [1,1,0,0,0,0|2,0,0]=4 4338 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)I 34a_100010735246_200025704644 [1,1,0,0,0,0|2,0,0]=4 4339 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)I 7a_100010735246_200025704644 [1,1,0,0,0,0|2,0,0]=4 4340 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)N 34a_100000042052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4341 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)N 7a_100000042052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4342 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)N)Cl 34a_100012000071_200025704644 [1,1,0,0,0,0|2,0,0]=4 4343 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)N)Cl 7a_100012000071_200025704644 [1,1,0,0,0,0|2,0,0]=4 4344 B11R1.277 [13CH3]Oc1cc(c(cc1F)Br)F 34a_100011830439_200025704644 [1,1,0,0,0,0|2,0,0]=4 4345 B11R1.277 [13CH3]Oc1cc(c(cc1F)Br)F 7a_100011830439_200025704644 [1,1,0,0,0,0|2,0,0]=4 4346 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)Br 34a_100012457948_200025704644 [1,1,0,0,0,0|2,0,0]=4 4347 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)Br 7a_100012457948_200025704644 [1,1,0,0,0,0|2,0,0]=4 4348 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)F 34a_100000237555_200025704644 [1,1,0,0,0,0|2,0,0]=4 4349 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)F 7a_100000237555_200025704644 [1,1,0,0,0,0|2,0,0]=4 4350 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)I 34a_100015789030_200025704644 [1,1,0,0,0,0|2,0,0]=4 4351 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)I 7a_100015789030_200025704644 [1,1,0,0,0,0|2,0,0]=4 4352 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)N 34a_100011219470_200025704644 [1,1,0,0,0,0|2,0,0]=4 4353 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)N 7a_100011219470_200025704644 [1,1,0,0,0,0|2,0,0]=4 4354 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)Cl 34a_100009886023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4355 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)Cl 7a_100009886023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4356 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)F 34a_100020635945_200025704644 [1,1,0,0,0,0|2,0,0]=4 4357 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)F 7a_100020635945_200025704644 [1,1,0,0,0,0|2,0,0]=4 4358 B11R1.277 [13CH3]Oc1cc(c(cc1I)F)F 34a_100010749349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4359 B11R1.277 [13CH3]Oc1cc(c(cc1I)F)F 7a_100010749349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4360 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Br 34a_200010781931_200025704644 [1,1,0,0,0,0|2,0,0]=4 4361 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Br 7a_200010781931_200025704644 [1,1,0,0,0,0|2,0,0]=4 4362 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Cl 34a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4363 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Cl 7a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4364 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)F 34a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4365 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)F 7a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4366 B11R1.277 [13CH3]Oc1cc(c(cc1N)Cl)Cl 34a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4367 B11R1.277 [13CH3]Oc1cc(c(cc1N)Cl)Cl 7a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4368 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)Br 34a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4369 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)Br 7a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4370 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)F 34a_100011217416_200025704644 [1,1,0,0,0,0|2,0,0]=4 4371 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)F 7a_100011217416_200025704644 [1,1,0,0,0,0|2,0,0]=4 4372 B11R1.277 [13CH3]Oc1cc(c(cc1N)I)Cl 34a_100011011175_200025704644 [1,1,0,0,0,0|2,0,0]=4 4373 B11R1.277 [13CH3]Oc1cc(c(cc1N)I)Cl 7a_100011011175_200025704644 [1,1,0,0,0,0|2,0,0]=4 4374 B11R1.277 [13CH3]Sc1cc(c(cc1O)F)F 62a_100009813768_200025704644 [1,1,0,0,0,0|1,1,0]=4 4375 B11R1.277 [13CH3]Sc1cc(c(cc1O)F)F 62a_200025704644_100009813768 [1,1,0,0,0,0|1,1,0]=4 4376 B11R1.9 C=Cc1cc(cc(c1)C#N)Br 271570a_100011290941_100009997436 [1,1,0,0,0,0|2,0,0]=4 4377 B11R1.9 C=Cc1cc(cc(c1)C#N)C 271570a_100011290941_100011998626 [1,1,0,0,0,0|2,0,0]=4 4378 B11R1.9 C=Cc1cc(cc(c1)C#N)Cl 271570a_100011290941_100009827952 [1,1,0,0,0,0|2,0,0]=4 4379 B11R1.9 C=Cc1cc(cc(c1)C#N)F 271570a_100011290941_100000756176 [1,1,0,0,0,0|2,0,0]=4 4380 B11R1.9 C=Cc1cc(cc(c1)C#N)N 271570a_100011290941_100012002331 [1,1,0,0,0,0|2,0,0]=4 4381 B11R1.9 C=Cc1cc(cc(c1)C#N)O 271570a_100011290941_100012180112 [1,1,0,0,0,0|2,0,0]=4 4382 B11R1.9 C=Cc1cc(cc(c1)C=O)Br 271570a_100011290941_100010185649 [1,1,0,0,0,0|2,0,0]=4 4383 B11R1.9 C=Cc1cc(cc(c1)C=O)C 271570a_100011290941_100000686105 [1,1,0,0,0,0|2,0,0]=4 4384 B11R1.9 C=Cc1cc(cc(c1)C=O)F 271570a_100011290941_100011794424 [1,1,0,0,0,0|2,0,0]=4 4385 B11R1.9 C=Cc1cc(cc(c1)C=O)O 271570a_100011290941_100010176088 [1,1,0,0,0,0|2,0,0]=4 4386 B11R1.9 C=Cc1cc(cc(c1)CC)N 271570a_100011290941_100010074814 [1,1,0,0,0,0|1,0,0]=3 4387 B11R1.9 C=Cc1cc(cc(c1)CN)F 271570a_100011290941_100020611034 [1,1,0,0,0,0|2,0,0]=4 4388 B11R1.9 C=Cc1cc(cc(c1)CO)Br 271570a_100011290941_100009814756 [1,1,0,0,0,0|2,0,0]=4 4389 B11R1.9 C=Cc1cc(cc(c1)CO)C 271570a_100011290941_100000720511 [1,1,0,0,0,0|2,0,0]=4 4390 B11R1.9 C=Cc1cc(cc(c1)CO)F 271570a_100011290941_100000766897 [1,1,0,0,0,0|2,0,0]=4 4391 B11R1.9 C=Cc1cc(cc(c1)NC)F 271570a_100011290941_106741647397 [1,1,0,0,0,0|1,0,0]=3 4392 B11R1.9 C=Cc1cc(cc(c1)OC)Br 271570a_100011290941_100010141301 [1,1,0,0,0,0|0,0,0]=2 4393 B11R1.9 C=Cc1cc(cc(c1)OC)C 271570a_100011290941_100010187550 [1,1,0,0,0,0|0,0,0]=2 4394 B11R1.9 C=Cc1cc(cc(c1)OC)Cl 271570a_100011290941_100010147680 [1,1,0,0,0,0|0,0,0]=2 4395 B11R1.9 C=Cc1cc(cc(c1)OC)F 271570a_100011290941_100011934182 [1,1,0,0,0,0|0,0,0]=2 4396 B11R1.9 C=Cc1cc(cc(c1)OC)N 271570a_100011290941_100000750983 [1,1,0,0,0,0|0,0,0]=2 4397 B11R1.9 C=Cc1cc(cc(c1)OC)O 271570a_100011290941_100010068927 [1,1,0,0,0,0|0,0,0]=2 4398 B11R1.9 C=Cc1cc(cc(c1)SC)C 271570a_100011290941_200010709730 [1,1,0,0,0,0|0,1,0]=3 4399 B11R1.9 C=Cc1cc(cc(c1)SC)F 271570a_100011290941_200010245467 [1,1,0,0,0,0|0,1,0]=3 4400 B11R1.9 C=Cc1cc(cc(n1)C)OC 271570a_100011290941_200009849800 [1,1,0,0,0,0|1,0,0]=3 4401 B11R1.9 C=Cc1cc(cc(n1)N)OC 271570a_100011290941_100010257270 [1,1,0,0,0,0|1,0,0]=3 4402 B11R1.9 C=Cc1cc(cc(n1)OC)C 271570a_100011290941_100009856763 [1,1,0,0,0,0|1,0,0]=3 4403 B11R1.9 C=Cc1cc(cc(n1)OC)N 271570a_100011290941_100012187057 [1,1,0,0,0,0|1,0,0]=3 4404 B11R1.9 C=Cc1cc(nc(c1)OC)C 271570a_100011290941_100010067692 [1,1,0,0,0,0|1,0,0]=3 4405 B11R1.9 C=Cc1cc(nc(c1)OC)N 271570a_100011290941_100010136845 [1,1,0,0,0,0|1,0,0]=3 4406 B11R1.9 C=Cc1cc(nc(n1)C)OC 271570a_100011290941_100011686313 [1,1,0,0,0,0|2,0,0]=4 4407 B11R1.9 C=Cc1cc(nc(n1)N)OC 271570a_100011290941_100000686185 [1,1,0,0,0,0|2,0,0]=4 4408 B11R1.9 C=Cc1cc(nc(n1)OC)N 271570a_100011290941_100000101663 [1,1,0,0,0,0|2,0,0]=4 4409 B11R1.9 C=Cc1nc(cc(n1)OC)C 271570a_100011290941_100000755725 [1,1,0,0,0,0|2,0,0]=4 4410 B11R1.9 CNc1cc(cc(c1)OC)Br 34a_100000750983_200000210301 [1,1,0,0,0,0|1,0,1]=4 4411 B11R1.9 CNc1cc(cc(c1)OC)Br 7a_100000750983_200000210301 [1,1,0,0,0,0|1,0,1]=4 4412 B11R1.9 CNc1cc(cc(c1)OC)C 2230a_100012001870_200000210301 [1,1,0,0,0,0|1,0,1]=4 4413 B11R1.9 CNc1cc(cc(c1)OC)C 34a_100012001870_200000210301 [1,1,0,0,0,0|1,0,1]=4 4414 B11R1.9 CNc1cc(cc(c1)OC)C 7a_100012001870_200000210301 [1,1,0,0,0,0|1,0,1]=4 4415 B11R1.9 CNc1cc(cc(c1)OC)Cl 2230a_100000051436_200000210301 [1,1,0,0,0,0|1,0,1]=4 4416 B11R1.9 CNc1cc(cc(c1)OC)Cl 34a_100000051436_200000210301 [1,1,0,0,0,0|1,0,1]=4 4417 B11R1.9 CNc1cc(cc(c1)OC)Cl 7a_100000051436_200000210301 [1,1,0,0,0,0|1,0,1]=4 4418 B11R1.9 CNc1cc(cc(c1)OC)F 2230a_100000687699_200000210301 [1,1,0,0,0,0|1,0,1]=4 4419 B11R1.9 CNc1cc(cc(c1)OC)F 34a_100000687699_200000210301 [1,1,0,0,0,0|1,0,1]=4 4420 B11R1.9 CNc1cc(cc(c1)OC)F 7a_100000687699_200000210301 [1,1,0,0,0,0|1,0,1]=4 4421 B11R1.9 CNc1cc(cc(c1)OC)O 34a_200000692186_200000210301 [1,1,0,0,0,0|1,0,1]=4 4422 B11R1.9 COc1cc(cc(c1)C#N)Br 34a_100012180112_200000210301 [1,1,0,0,0,0|1,0,1]=4 4423 B11R1.9 COc1cc(cc(c1)C#N)Br 7a_100012180112_200000210301 [1,1,0,0,0,0|1,0,1]=4 4424 B11R1.9 COc1cc(cc(c1)C#N)C 34a_100009849966_200000210301 [1,1,0,0,0,0|1,0,1]=4 4425 B11R1.9 COc1cc(cc(c1)C#N)C 7a_100009849966_200000210301 [1,1,0,0,0,0|1,0,1]=4 4426 B11R1.9 COc1cc(cc(c1)C#N)Cl 34a_100000724442_200000210301 [1,1,0,0,0,0|1,0,1]=4 4427 B11R1.9 COc1cc(cc(c1)C#N)Cl 7a_100000724442_200000210301 [1,1,0,0,0,0|1,0,1]=4 4428 B11R1.9 COc1cc(cc(c1)C#N)F 34a_100000732150_200000210301 [1,1,0,0,0,0|1,0,1]=4 4429 B11R1.9 COc1cc(cc(c1)C#N)F 7a_100000732150_200000210301 [1,1,0,0,0,0|1,0,1]=4 4430 B11R1.9 COc1cc(cc(c1)C#N)O 271570a_203496583355_100011934654 [1,1,0,0,0,0|1,0,1]=4 4431 B11R1.9 COc1cc(cc(c1)C=O)O 271570a_203496583355_100009816777 [1,1,0,0,0,0|1,0,0]=3 4432 B11R1.9 COc1cc(cc(c1)CN)Cl 34a_107254831445_200000210301 [1,1,0,0,0,0|1,0,1]=4 4433 B11R1.9 COc1cc(cc(c1)CN)F 34a_100160469513_200000210301 [1,1,0,0,0,0|1,0,1]=4 4434 B11R1.9 COc1cc(cc(c1)CO)N 34a_200000124675_200000210301 [1,1,0,0,0,0|1,0,1]=4 4435 B11R1.9 COc1cc(cc(c1)CO)O 271570a_203496583355_100009995317 [1,1,0,0,0,0|1,0,1]=4 4436 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 34a_100000750983_200025704644 [1,1,0,0,0,0|1,0,1]=4 4437 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 7a_100000750983_200025704644 [1,1,0,0,0,0|1,0,1]=4 4438 B11R1.9 COc1cc(cc(c1)N[13CH3])C 2230a_100012001870_200025704644 [1,1,0,0,0,0|1,0,1]=4 4439 B11R1.9 COc1cc(cc(c1)N[13CH3])C 34a_100012001870_200025704644 [1,1,0,0,0,0|1,0,1]=4 4440 B11R1.9 COc1cc(cc(c1)N[13CH3])C 7a_100012001870_200025704644 [1,1,0,0,0,0|1,0,1]=4 4441 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 2230a_100000051436_200025704644 [1,1,0,0,0,0|1,0,1]=4 4442 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 34a_100000051436_200025704644 [1,1,0,0,0,0|1,0,1]=4 4443 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 7a_100000051436_200025704644 [1,1,0,0,0,0|1,0,1]=4 4444 B11R1.9 COc1cc(cc(c1)N[13CH3])F 2230a_100000687699_200025704644 [1,1,0,0,0,0|1,0,1]=4 4445 B11R1.9 COc1cc(cc(c1)N[13CH3])F 34a_100000687699_200025704644 [1,1,0,0,0,0|1,0,1]=4 4446 B11R1.9 COc1cc(cc(c1)N[13CH3])F 7a_100000687699_200025704644 [1,1,0,0,0,0|1,0,1]=4 4447 B11R1.9 COc1cc(cc(c1)N[13CH3])O 34a_200000692186_200025704644 [1,1,0,0,0,0|1,0,1]=4 4448 B11R1.9 COc1cc(cc(c1)OC)Br 34a_100010068927_200000210301 [1,1,0,0,0,0|1,0,1]=4 4449 B11R1.9 COc1cc(cc(c1)OC)Br 7a_100010068927_200000210301 [1,1,0,0,0,0|1,0,1]=4 4450 B11R1.9 COc1cc(cc(c1)OC)C 34a_100011216608_200000210301 [1,1,0,0,0,0|1,0,1]=4 4451 B11R1.9 COc1cc(cc(c1)OC)C 7a_100011216608_200000210301 [1,1,0,0,0,0|1,0,1]=4 4452 B11R1.9 COc1cc(cc(c1)OC)Cl 34a_100000051430_200000210301 [1,1,0,0,0,0|1,0,1]=4 4453 B11R1.9 COc1cc(cc(c1)OC)Cl 7a_100000051430_200000210301 [1,1,0,0,0,0|1,0,1]=4 4454 B11R1.9 COc1cc(cc(c1)OC)F 34a_100011369910_200000210301 [1,1,0,0,0,0|1,0,1]=4 4455 B11R1.9 COc1cc(cc(c1)OC)F 7a_100011369910_200000210301 [1,1,0,0,0,0|1,0,1]=4 4456 B11R1.9 COc1cc(cc(c1)OC)N 34a_200000692186_200000210301 [1,1,0,0,0,0|1,0,1]=4 4457 B11R1.9 COc1cc(cc(c1)OC)N 7a_200000692186_200000210301 [1,1,0,0,0,0|1,0,1]=4 4458 B11R1.9 COc1cc(cc(c1)OC)O 271570a_203496583355_100000685218 [1,1,0,0,0,0|1,0,1]=4 4459 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 34a_100010068927_200025704644 [1,1,0,0,0,0|1,0,1]=4 4460 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 7a_100010068927_200025704644 [1,1,0,0,0,0|1,0,1]=4 4461 B11R1.9 COc1cc(cc(c1)O[13CH3])C 34a_100011216608_200025704644 [1,1,0,0,0,0|1,0,1]=4 4462 B11R1.9 COc1cc(cc(c1)O[13CH3])C 7a_100011216608_200025704644 [1,1,0,0,0,0|1,0,1]=4 4463 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 34a_100000051430_200025704644 [1,1,0,0,0,0|1,0,1]=4 4464 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 7a_100000051430_200025704644 [1,1,0,0,0,0|1,0,1]=4 4465 B11R1.9 COc1cc(cc(c1)O[13CH3])F 34a_100011369910_200025704644 [1,1,0,0,0,0|1,0,1]=4 4466 B11R1.9 COc1cc(cc(c1)O[13CH3])F 7a_100011369910_200025704644 [1,1,0,0,0,0|1,0,1]=4 4467 B11R1.9 COc1cc(cc(c1)O[13CH3])N 34a_200000692186_200025704644 [1,1,0,0,0,0|1,0,1]=4 4468 B11R1.9 COc1cc(cc(c1)O[13CH3])N 7a_200000692186_200025704644 [1,1,0,0,0,0|1,0,1]=4 4469 B11R1.9 COc1cc(cc(c1)SC)Br 62a_100010141301_200000210301 [1,1,0,0,0,0|1,0,1]=4 4470 B11R1.9 COc1cc(cc(c1)SC)Br 62a_200000210301_100010141301 [1,1,0,0,0,0|1,0,1]=4 4471 B11R1.9 COc1cc(cc(c1)SC)C 62a_200000210301_100010187550 [1,1,0,0,0,0|1,0,1]=4 4472 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_100010147680_200000210301 [1,1,0,0,0,0|1,0,1]=4 4473 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_200000210301_100010147680 [1,1,0,0,0,0|1,0,1]=4 4474 B11R1.9 COc1cc(cc(c1)SC)F 62a_100011934182_200000210301 [1,1,0,0,0,0|1,0,1]=4 4475 B11R1.9 COc1cc(cc(c1)SC)F 62a_200000210301_100011934182 [1,1,0,0,0,0|1,0,1]=4 4476 B11R1.9 COc1cc(cc(c1)SC)N 62a_100000750983_200000210301 [1,1,0,0,0,0|1,0,1]=4 4477 B11R1.9 COc1cc(cc(c1)SC)N 62a_200000210301_100000750983 [1,1,0,0,0,0|1,0,1]=4 4478 B11R1.9 COc1cc(cc(c1)SC)O 271570a_203496583355_200010709149 [1,1,0,0,0,0|1,0,1]=4 4479 B11R1.9 COc1cc(cc(c1)SC)O 62a_200000210301_100010068927 [1,1,0,0,0,0|1,0,1]=4 4480 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_100010141301_200025704644 [1,1,0,0,0,0|1,0,1]=4 4481 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010141301 [1,1,0,0,0,0|1,0,1]=4 4482 B11R1.9 COc1cc(cc(c1)S[13CH3])C 62a_200025704644_100010187550 [1,1,0,0,0,0|1,0,1]=4 4483 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_100010147680_200025704644 [1,1,0,0,0,0|1,0,1]=4 4484 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100010147680 [1,1,0,0,0,0|1,0,1]=4 4485 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_100011934182_200025704644 [1,1,0,0,0,0|1,0,1]=4 4486 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_200025704644_100011934182 [1,1,0,0,0,0|1,0,1]=4 4487 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_100000750983_200025704644 [1,1,0,0,0,0|1,0,1]=4 4488 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_200025704644_100000750983 [1,1,0,0,0,0|1,0,1]=4 4489 B11R1.9 COc1cc(cc(c1)S[13CH3])O 62a_200025704644_100010068927 [1,1,0,0,0,0|1,0,1]=4 4490 B11R1.9 COc1cc(nc(c1)C=O)O 271570a_203496583355_200009844316 [1,1,0,0,0,0|2,0,0]=4 4491 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_100010185649_200000210301 [1,1,0,0,0,0|1,1,0]=4 4492 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_200000210301_100010185649 [1,1,0,0,0,0|1,1,0]=4 4493 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_100000686105_200000210301 [1,1,0,0,0,0|1,1,0]=4 4494 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_200000210301_100000686105 [1,1,0,0,0,0|1,1,0]=4 4495 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_100011794424_200000210301 [1,1,0,0,0,0|1,1,0]=4 4496 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_200000210301_100011794424 [1,1,0,0,0,0|1,1,0]=4 4497 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_100010176088_200000210301 [1,1,0,0,0,0|1,1,0]=4 4498 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_200000210301_100010176088 [1,1,0,0,0,0|1,1,0]=4 4499 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 34a_100009849966_200025704644 [1,1,0,0,0,0|1,0,1]=4 4500 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 7a_100009849966_200025704644 [1,1,0,0,0,0|1,0,1]=4 4501 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_100000686105_200025704644 [1,1,0,0,0,0|1,1,0]=4 4502 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_200025704644_100000686105 [1,1,0,0,0,0|1,1,0]=4 4503 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 34a_100012180112_200025704644 [1,1,0,0,0,0|1,0,1]=4 4504 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 7a_100012180112_200025704644 [1,1,0,0,0,0|1,0,1]=4 4505 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 34a_100000724442_200025704644 [1,1,0,0,0,0|1,0,1]=4 4506 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 7a_100000724442_200025704644 [1,1,0,0,0,0|1,0,1]=4 4507 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 34a_100000732150_200025704644 [1,1,0,0,0,0|1,0,1]=4 4508 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 7a_100000732150_200025704644 [1,1,0,0,0,0|1,0,1]=4 4509 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)Cl 34a_107254831445_200025704644 [1,1,0,0,0,0|1,0,1]=4 4510 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)F 34a_100160469513_200025704644 [1,1,0,0,0,0|1,0,1]=4 4511 B11R1.9 [13CH3]Oc1cc(cc(c1)CO)N 34a_200000124675_200025704644 [1,1,0,0,0,0|1,0,1]=4 4512 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_100010185649_200025704644 [1,1,0,0,0,0|1,1,0]=4 4513 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_200025704644_100010185649 [1,1,0,0,0,0|1,1,0]=4 4514 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_100011794424_200025704644 [1,1,0,0,0,0|1,1,0]=4 4515 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_200025704644_100011794424 [1,1,0,0,0,0|1,1,0]=4 4516 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_100010176088_200025704644 [1,1,0,0,0,0|1,1,0]=4 4517 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_200025704644_100010176088 [1,1,0,0,0,0|1,1,0]=4 4518 B11R1.189 C#Cc1cccc(c1)COC 34a_100010272118_200000210301 [1,1,0,0,0,0|0,0,2]=4 4519 B11R1.189 C#Cc1cccc(c1)COC 7a_100010272118_200000210301 [1,1,0,0,0,0|0,0,2]=4 4520 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 34a_100010272118_200025704644 [1,1,0,0,0,0|0,0,2]=4 4521 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 7a_100010272118_200025704644 [1,1,0,0,0,0|0,0,2]=4 4522 B11R1.189 C#Cc1cccc(c1)OCC 34a_100011216014_100000210202 [1,1,0,0,0,0|0,0,2]=4 4523 B11R1.189 C#Cc1cccc(c1)OCC 7a_100011216014_100000210202 [1,1,0,0,0,0|0,0,2]=4 4524 B11R1.189 C#Cc1cccc(c1)OCF 34a_100011216014_100015361967 [1,1,0,0,0,0|0,0,2]=4 4525 B11R1.189 C#Cc1cccc(c1)OCF 7a_100011216014_100015361967 [1,1,0,0,0,0|0,0,2]=4 4526 B11R1.189 C=C=Cc1cc(ccn1)CC 271570a_100015277604_100009817561 [1,1,0,0,0,0|2,0,0]=4 4527 B11R1.189 C=C=Cc1cc(ccn1)NC 271570a_100015277604_100009869472 [1,1,0,0,0,0|2,0,0]=4 4528 B11R1.189 C=C=Cc1cc(ccn1)OC 271570a_100015277604_100011216251 [1,1,0,0,0,0|1,0,0]=3 4529 B11R1.189 C=C=Cc1cc(ccn1)SC 271570a_100015277604_100010883326 [1,1,0,0,0,0|1,1,0]=4 4530 B11R1.189 C=C=Cc1cc(cnn1)OC 271570a_100015277604_100000087634 [1,1,0,0,0,0|2,0,0]=4 4531 B11R1.189 C=C=Cc1cc(ncn1)OC 271570a_100015277604_100012187182 [1,1,0,0,0,0|2,0,0]=4 4532 B11R1.189 C=C=Cc1cccc(c1)C#N 271570a_100015277604_100000189340 [1,1,0,0,0,0|2,0,0]=4 4533 B11R1.189 C=C=Cc1cccc(c1)C=O 271570a_100015277604_100000014684 [1,1,0,0,0,0|2,0,0]=4 4534 B11R1.189 C=C=Cc1cccc(c1)CC 271570a_100015277604_100000684523 [1,1,0,0,0,0|1,0,0]=3 4535 B11R1.189 C=C=Cc1cccc(c1)CF 271570a_100015277604_100010878472 [1,1,0,0,0,0|2,0,0]=4 4536 B11R1.189 C=C=Cc1cccc(c1)CN 271570a_100015277604_100000106179 [1,1,0,0,0,0|2,0,0]=4 4537 B11R1.189 C=C=Cc1cccc(c1)CO 271570a_100015277604_100000687537 [1,1,0,0,0,0|2,0,0]=4 4538 B11R1.189 C=C=Cc1cccc(c1)NC 271570a_100015277604_100000219648 [1,1,0,0,0,0|1,0,0]=3 4539 B11R1.189 C=C=Cc1cccc(c1)NN 271570a_100015277604_100000217339 [1,1,0,0,0,0|2,0,0]=4 4540 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [1,1,0,0,0,0|0,0,0]=2 4541 B11R1.189 C=C=Cc1cccc(c1)SC 271570a_100015277604_100011215954 [1,1,0,0,0,0|0,1,0]=3 4542 B11R1.189 C=C=Cc1cccc(n1)CC 271570a_100015277604_100009856026 [1,1,0,0,0,0|2,0,0]=4 4543 B11R1.189 C=C=Cc1cccc(n1)NC 271570a_100015277604_100000703281 [1,1,0,0,0,0|2,0,0]=4 4544 B11R1.189 C=C=Cc1cccc(n1)OC 271570a_100015277604_100000760917 [1,1,0,0,0,0|1,0,0]=3 4545 B11R1.189 C=C=Cc1cccc(n1)SC 271570a_100015277604_100011960944 [1,1,0,0,0,0|1,1,0]=4 4546 B11R1.189 C=C=Cc1ccnc(c1)CC 271570a_100015277604_100009820011 [1,1,0,0,0,0|2,0,0]=4 4547 B11R1.189 C=C=Cc1ccnc(c1)NC 271570a_100015277604_100009819592 [1,1,0,0,0,0|2,0,0]=4 4548 B11R1.189 C=C=Cc1ccnc(c1)OC 271570a_100015277604_100000117307 [1,1,0,0,0,0|1,0,0]=3 4549 B11R1.189 C=C=Cc1ccnc(n1)OC 271570a_100015277604_100000069072 [1,1,0,0,0,0|2,0,0]=4 4550 B11R1.189 C=C=Cc1cncc(c1)CC 271570a_100015277604_200009819073 [1,1,0,0,0,0|2,0,0]=4 4551 B11R1.189 C=C=Cc1cncc(c1)NC 271570a_100015277604_100012184536 [1,1,0,0,0,0|2,0,0]=4 4552 B11R1.189 C=C=Cc1cncc(c1)OC 271570a_100015277604_100000684773 [1,1,0,0,0,0|1,0,0]=3 4553 B11R1.189 C=C=Cc1cncc(c1)SC 271570a_100015277604_100009816972 [1,1,0,0,0,0|1,1,0]=4 4554 B11R1.189 C=C=Cc1cncc(n1)OC 271570a_100015277604_100000756030 [1,1,0,0,0,0|2,0,0]=4 4555 B11R1.189 C=C=Cc1nccc(n1)OC 271570a_100015277604_100000182009 [1,1,0,0,0,0|2,0,0]=4 4556 B11R1.189 C=CCc1cccc(c1)C=C 271570a_100011290941_100009816576 [1,1,0,0,0,0|1,0,1]=4 4557 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,1,0,0,0,0|0,1,0]=3 4558 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,1,0,0,0,0|0,1,0]=3 4559 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,1,0,0,0,0|0,1,0]=3 4560 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,1,0,0,0,0|0,1,0]=3 4561 B11R1.189 C=Cc1cc(ccn1)OCC 271570a_100011290941_100011922638 [1,1,0,0,0,0|1,0,0]=3 4562 B11R1.189 C=Cc1cc(ccn1)SCC 62a_100000210202_100009845566 [1,1,0,0,0,0|1,1,0]=4 4563 B11R1.189 C=Cc1cc(ccn1)SCC 62a_100009845566_100000210202 [1,1,0,0,0,0|1,1,0]=4 4564 B11R1.189 C=Cc1cc(ccn1)SCF 62a_100009845566_100015361967 [1,1,0,0,0,0|1,1,0]=4 4565 B11R1.189 C=Cc1cc(ccn1)SCF 62a_100015361967_100009845566 [1,1,0,0,0,0|1,1,0]=4 4566 B11R1.189 C=Cc1cc(ncn1)COC 271570a_100011290941_100000688101 [1,1,0,0,0,0|2,0,0]=4 4567 B11R1.189 C=Cc1cc(ncn1)OCC 271570a_100011290941_100000765465 [1,1,0,0,0,0|2,0,0]=4 4568 B11R1.189 C=Cc1cccc(c1)C#CC 271570a_100011290941_200009843338 [1,1,0,0,0,0|1,0,0]=3 4569 B11R1.189 C=Cc1cccc(c1)CC#N 271570a_100011290941_100000034040 [1,1,0,0,0,0|1,0,1]=4 4570 B11R1.189 C=Cc1cccc(c1)CC=O 271570a_100011290941_200000698211 [1,1,0,0,0,0|1,0,1]=4 4571 B11R1.189 C=Cc1cccc(c1)CCC 271570a_100011290941_100000694964 [1,1,0,0,0,0|1,0,0]=3 4572 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [1,1,0,0,0,0|1,0,0]=3 4573 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [1,1,0,0,0,0|1,0,0]=3 4574 B11R1.189 C=Cc1cccc(c1)CNC 26a_100102657272_100011309434 [1,1,0,0,0,0|1,0,0]=3 4575 B11R1.189 C=Cc1cccc(c1)CNC 270004a_106832991635_100011218069 [1,1,0,0,0,0|1,0,0]=3 4576 B11R1.189 C=Cc1cccc(c1)CNC 271570a_100011290941_100000187585 [1,1,0,0,0,0|1,0,0]=3 4577 B11R1.189 C=Cc1cccc(c1)CNN 271570a_100011290941_100000686200 [1,1,0,0,0,0|2,0,0]=4 4578 B11R1.189 C=Cc1cccc(c1)COC 271570a_100011290941_100011493687 [1,1,0,0,0,0|0,0,0]=2 4579 B11R1.189 C=Cc1cccc(c1)N=[N+]=[N-] 271570a_100011290941_100000735707 [1,1,0,0,0,0|2,0,0]=4 4580 B11R1.189 C=Cc1cccc(c1)NCC 271570a_100011290941_100000738899 [1,1,0,0,0,0|1,0,0]=3 4581 B11R1.189 C=Cc1cccc(c1)NCC 34a_100011827668_100000210202 [1,1,0,0,0,0|1,0,0]=3 4582 B11R1.189 C=Cc1cccc(c1)NCF 34a_100011827668_100015361967 [1,1,0,0,0,0|1,0,0]=3 4583 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [1,1,0,0,0,0|0,0,0]=2 4584 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [1,1,0,0,0,0|0,0,0]=2 4585 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [1,1,0,0,0,0|0,0,0]=2 4586 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [1,1,0,0,0,0|0,0,0]=2 4587 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [1,1,0,0,0,0|0,0,0]=2 4588 B11R1.189 C=Cc1cccc(c1)SCC 271570a_100011290941_100000703699 [1,1,0,0,0,0|0,1,0]=3 4589 B11R1.189 C=Cc1cccc(c1)SCC 62a_100000210202_100011215241 [1,1,0,0,0,0|0,1,0]=3 4590 B11R1.189 C=Cc1cccc(c1)SCC 62a_100011215241_100000210202 [1,1,0,0,0,0|0,1,0]=3 4591 B11R1.189 C=Cc1cccc(c1)SCF 62a_100011215241_100015361967 [1,1,0,0,0,0|0,1,0]=3 4592 B11R1.189 C=Cc1cccc(c1)SCF 62a_100015361967_100011215241 [1,1,0,0,0,0|0,1,0]=3 4593 B11R1.189 C=Cc1cccc(n1)CCO 271570a_100011290941_100010221043 [1,1,0,0,0,0|2,0,0]=4 4594 B11R1.189 C=Cc1cccc(n1)CNC 271570a_100011290941_106354212997 [1,1,0,0,0,0|2,0,0]=4 4595 B11R1.189 C=Cc1cccc(n1)NCC 271570a_100011290941_200020678610 [1,1,0,0,0,0|2,0,0]=4 4596 B11R1.189 C=Cc1cccc(n1)OCC 271570a_100011290941_100000752924 [1,1,0,0,0,0|1,0,0]=3 4597 B11R1.189 C=Cc1ccnc(c1)CNC 271570a_100011290941_100102954512 [1,1,0,0,0,0|2,0,0]=4 4598 B11R1.189 C=Cc1ccnc(c1)OCC 271570a_100011290941_100009995528 [1,1,0,0,0,0|1,0,0]=3 4599 B11R1.189 C=Cc1cncc(c1)CNC 271570a_100011290941_103549770560 [1,1,0,0,0,0|2,0,0]=4 4600 B11R1.189 C=Cc1cncc(c1)OCC 271570a_100011290941_100012029586 [1,1,0,0,0,0|1,0,0]=3 4601 B11R1.189 C=Cc1cncc(c1)SCC 62a_100000210202_200012180632 [1,1,0,0,0,0|1,1,0]=4 4602 B11R1.189 C=Cc1cncc(c1)SCC 62a_200012180632_100000210202 [1,1,0,0,0,0|1,1,0]=4 4603 B11R1.189 C=Cc1cncc(c1)SCF 62a_100015361967_200012180632 [1,1,0,0,0,0|1,1,0]=4 4604 B11R1.189 C=Cc1cncc(c1)SCF 62a_200012180632_100015361967 [1,1,0,0,0,0|1,1,0]=4 4605 B11R1.189 C=Cc1cncc(n1)OCC 271570a_100011290941_100000757043 [1,1,0,0,0,0|2,0,0]=4 4606 B11R1.189 C=Cc1nccc(n1)OCC 271570a_100011290941_100011649779 [1,1,0,0,0,0|2,0,0]=4 4607 B11R1.189 CC=Cc1cc(ccn1)CC 271570a_100016259895_100009817561 [1,1,0,0,0,0|2,0,0]=4 4608 B11R1.189 CC=Cc1cc(ccn1)NC 271570a_100016259895_100009869472 [1,1,0,0,0,0|2,0,0]=4 4609 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [1,1,0,0,0,0|1,0,0]=3 4610 B11R1.189 CC=Cc1cc(ccn1)SC 271570a_100016259895_100010883326 [1,1,0,0,0,0|1,1,0]=4 4611 B11R1.189 CC=Cc1cc(cnn1)OC 271570a_100016259895_100000087634 [1,1,0,0,0,0|2,0,0]=4 4612 B11R1.189 CC=Cc1cc(ncn1)OC 271570a_100016259895_100012187182 [1,1,0,0,0,0|2,0,0]=4 4613 B11R1.189 CC=Cc1cccc(c1)C#N 271570a_100016259895_100000189340 [1,1,0,0,0,0|2,0,0]=4 4614 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [1,1,0,0,0,0|2,0,0]=4 4615 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [1,1,0,0,0,0|1,0,0]=3 4616 B11R1.189 CC=Cc1cccc(c1)CF 271570a_100016259895_100010878472 [1,1,0,0,0,0|2,0,0]=4 4617 B11R1.189 CC=Cc1cccc(c1)CN 271570a_100016259895_100000106179 [1,1,0,0,0,0|2,0,0]=4 4618 B11R1.189 CC=Cc1cccc(c1)CO 271570a_100016259895_100000687537 [1,1,0,0,0,0|2,0,0]=4 4619 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [1,1,0,0,0,0|1,0,0]=3 4620 B11R1.189 CC=Cc1cccc(c1)NN 271570a_100016259895_100000217339 [1,1,0,0,0,0|2,0,0]=4 4621 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [1,1,0,0,0,0|0,0,0]=2 4622 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [1,1,0,0,0,0|0,1,0]=3 4623 B11R1.189 CC=Cc1cccc(n1)CC 271570a_100016259895_100009856026 [1,1,0,0,0,0|2,0,0]=4 4624 B11R1.189 CC=Cc1cccc(n1)NC 271570a_100016259895_100000703281 [1,1,0,0,0,0|2,0,0]=4 4625 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [1,1,0,0,0,0|1,0,0]=3 4626 B11R1.189 CC=Cc1cccc(n1)SC 271570a_100016259895_100011960944 [1,1,0,0,0,0|1,1,0]=4 4627 B11R1.189 CC=Cc1ccnc(c1)CC 271570a_100016259895_100009820011 [1,1,0,0,0,0|2,0,0]=4 4628 B11R1.189 CC=Cc1ccnc(c1)NC 271570a_100016259895_100009819592 [1,1,0,0,0,0|2,0,0]=4 4629 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [1,1,0,0,0,0|1,0,0]=3 4630 B11R1.189 CC=Cc1ccnc(n1)OC 271570a_100016259895_100000069072 [1,1,0,0,0,0|2,0,0]=4 4631 B11R1.189 CC=Cc1cncc(c1)CC 271570a_100016259895_200009819073 [1,1,0,0,0,0|2,0,0]=4 4632 B11R1.189 CC=Cc1cncc(c1)NC 271570a_100016259895_100012184536 [1,1,0,0,0,0|2,0,0]=4 4633 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [1,1,0,0,0,0|1,0,0]=3 4634 B11R1.189 CC=Cc1cncc(c1)SC 271570a_100016259895_100009816972 [1,1,0,0,0,0|1,1,0]=4 4635 B11R1.189 CC=Cc1cncc(n1)OC 271570a_100016259895_100000756030 [1,1,0,0,0,0|2,0,0]=4 4636 B11R1.189 CC=Cc1nccc(n1)OC 271570a_100016259895_100000182009 [1,1,0,0,0,0|2,0,0]=4 4637 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [1,1,0,0,0,0|0,0,2]=4 4638 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [1,1,0,0,0,0|0,0,2]=4 4639 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [1,1,0,0,0,0|0,0,2]=4 4640 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [1,1,0,0,0,0|0,0,2]=4 4641 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [1,1,0,0,0,0|0,0,2]=4 4642 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [1,1,0,0,0,0|0,0,2]=4 4643 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [1,1,0,0,0,0|0,0,2]=4 4644 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [1,1,0,0,0,0|0,0,2]=4 4645 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [1,1,0,0,0,0|0,0,2]=4 4646 B11R1.189 CCOc1cccc(c1)C#N 34a_100000184713_100000210202 [1,1,0,0,0,0|1,0,1]=4 4647 B11R1.189 CCOc1cccc(c1)C#N 7a_100000184713_100000210202 [1,1,0,0,0,0|1,0,1]=4 4648 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [1,1,0,0,0,0|1,0,1]=4 4649 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [1,1,0,0,0,0|1,0,1]=4 4650 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [1,1,0,0,0,0|0,0,2]=4 4651 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [1,1,0,0,0,0|0,0,2]=4 4652 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [1,1,0,0,0,0|1,0,1]=4 4653 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [1,1,0,0,0,0|1,0,1]=4 4654 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [1,1,0,0,0,0|1,0,1]=4 4655 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [1,1,0,0,0,0|1,0,1]=4 4656 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [1,1,0,0,0,0|1,0,1]=4 4657 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [1,1,0,0,0,0|1,0,1]=4 4658 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [1,1,0,0,0,0|1,0,1]=4 4659 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [1,1,0,0,0,0|1,0,1]=4 4660 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [1,1,0,0,0,0|1,0,1]=4 4661 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [1,1,0,0,0,0|1,0,1]=4 4662 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [1,1,0,0,0,0|1,0,1]=4 4663 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [1,1,0,0,0,0|0,0,2]=4 4664 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [1,1,0,0,0,0|0,0,2]=4 4665 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [1,1,0,0,0,0|0,0,2]=4 4666 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [1,1,0,0,0,0|0,0,2]=4 4667 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [1,1,0,0,0,0|0,0,2]=4 4668 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [1,1,0,0,0,0|0,0,2]=4 4669 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [1,1,0,0,0,0|1,0,1]=4 4670 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [1,1,0,0,0,0|1,0,1]=4 4671 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [1,1,0,0,0,0|1,0,1]=4 4672 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [1,1,0,0,0,0|1,0,1]=4 4673 B11R1.189 CCSc1cccc(c1)C=O 62a_100000014684_100000210202 [1,1,0,0,0,0|1,1,0]=4 4674 B11R1.189 CCSc1cccc(c1)C=O 62a_100000210202_100000014684 [1,1,0,0,0,0|1,1,0]=4 4675 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [1,1,0,0,0,0|0,0,2]=4 4676 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [1,1,0,0,0,0|0,0,2]=4 4677 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [1,1,0,0,0,0|0,0,2]=4 4678 B11R1.189 CNCc1cccc(c1)C=O 2230a_106832991635_100009816774 [1,1,0,0,0,0|2,0,0]=4 4679 B11R1.189 CNCc1cccc(c1)C=O 34a_100102657272_100009816774 [1,1,0,0,0,0|2,0,0]=4 4680 B11R1.189 CNCc1cccc(c1)C=O 7a_106832991635_100009816774 [1,1,0,0,0,0|2,0,0]=4 4681 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [1,1,0,0,0,0|0,0,2]=4 4682 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [1,1,0,0,0,0|0,0,2]=4 4683 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [1,1,0,0,0,0|0,0,2]=4 4684 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [1,1,0,0,0,0|0,0,2]=4 4685 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [1,1,0,0,0,0|0,0,2]=4 4686 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [1,1,0,0,0,0|0,0,2]=4 4687 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [1,1,0,0,0,0|0,0,2]=4 4688 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [1,1,0,0,0,0|0,0,2]=4 4689 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [1,1,0,0,0,0|0,0,2]=4 4690 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [1,1,0,0,0,0|0,0,2]=4 4691 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [1,1,0,0,0,0|1,0,1]=4 4692 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [1,1,0,0,0,0|1,0,1]=4 4693 B11R1.189 CNc1cccc(c1)OCF 34a_100000756613_100015361967 [1,1,0,0,0,0|1,0,1]=4 4694 B11R1.189 CNc1cccc(c1)OCF 7a_100000756613_100015361967 [1,1,0,0,0,0|1,0,1]=4 4695 B11R1.189 COCc1cccc(c1)C#N 34a_100000753308_200000210301 [1,1,0,0,0,0|1,0,1]=4 4696 B11R1.189 COCc1cccc(c1)C#N 34a_100138415774_100000233786 [1,1,0,0,0,0|1,0,1]=4 4697 B11R1.189 COCc1cccc(c1)C#N 7a_100000753308_200000210301 [1,1,0,0,0,0|1,0,1]=4 4698 B11R1.189 COCc1cccc(c1)C=O 34a_100138415774_100009816774 [1,1,0,0,0,0|1,0,0]=3 4699 B11R1.189 COCc1cccc(c1)CBr 34a_100010188025_200000210301 [1,1,0,0,0,0|1,0,1]=4 4700 B11R1.189 COCc1cccc(c1)CBr 7a_100010188025_200000210301 [1,1,0,0,0,0|1,0,1]=4 4701 B11R1.189 COCc1cccc(c1)CCl 34a_200000090956_200000210301 [1,1,0,0,0,0|1,0,1]=4 4702 B11R1.189 COCc1cccc(c1)CCl 7a_200000090956_200000210301 [1,1,0,0,0,0|1,0,1]=4 4703 B11R1.189 COCc1cccc(c1)CN 34a_100011269909_200000210301 [1,1,0,0,0,0|1,0,1]=4 4704 B11R1.189 COCc1cccc(c1)CO 34a_100138415774_100010188025 [1,1,0,0,0,0|1,0,1]=4 4705 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [1,1,0,0,0,0|1,0,1]=4 4706 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [1,1,0,0,0,0|1,0,1]=4 4707 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [1,1,0,0,0,0|0,0,2]=4 4708 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [1,1,0,0,0,0|0,0,2]=4 4709 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [1,1,0,0,0,0|1,0,1]=4 4710 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [1,1,0,0,0,0|1,0,1]=4 4711 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [1,1,0,0,0,0|1,0,1]=4 4712 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [1,1,0,0,0,0|1,0,1]=4 4713 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [1,1,0,0,0,0|0,0,2]=4 4714 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [1,1,0,0,0,0|0,0,2]=4 4715 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [1,1,0,0,0,0|0,0,2]=4 4716 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [1,1,0,0,0,0|0,0,2]=4 4717 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [1,1,0,0,0,0|1,0,1]=4 4718 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [1,1,0,0,0,0|0,0,2]=4 4719 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [1,1,0,0,0,0|0,0,2]=4 4720 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [1,1,0,0,0,0|0,0,2]=4 4721 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [1,1,0,0,0,0|0,0,2]=4 4722 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [1,1,0,0,0,0|0,0,2]=4 4723 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [1,1,0,0,0,0|0,0,2]=4 4724 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [1,1,0,0,0,0|0,0,2]=4 4725 B11R1.189 COc1cccc(c1)NCF 34a_100000210024_100015361967 [1,1,0,0,0,0|1,0,1]=4 4726 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [1,1,0,0,0,0|1,0,1]=4 4727 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [1,1,0,0,0,0|1,0,1]=4 4728 B11R1.189 COc1cccc(c1)SCF 62a_100015361967_100000170001 [1,1,0,0,0,0|1,0,1]=4 4729 B11R1.189 CSCc1cccc(c1)C=O 62a_100009816774_200000210301 [1,1,0,0,0,0|1,1,0]=4 4730 B11R1.189 CSCc1cccc(c1)C=O 62a_200000210301_100009816774 [1,1,0,0,0,0|1,1,0]=4 4731 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [1,1,0,0,0,0|0,1,1]=4 4732 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [1,1,0,0,0,0|0,1,1]=4 4733 B11R1.189 CSc1cccc(c1)OCF 34a_100011265683_100015361967 [1,1,0,0,0,0|1,0,1]=4 4734 B11R1.189 CSc1cccc(c1)OCF 7a_100011265683_100015361967 [1,1,0,0,0,0|1,0,1]=4 4735 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [1,1,0,0,0,0|1,0,1]=4 4736 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [1,1,0,0,0,0|1,0,1]=4 4737 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [1,1,0,0,0,0|1,0,1]=4 4738 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [1,1,0,0,0,0|1,0,1]=4 4739 B11R1.189 N#Cc1cccc(c1)OCF 34a_100000184713_100015361967 [1,1,0,0,0,0|1,0,1]=4 4740 B11R1.189 N#Cc1cccc(c1)OCF 7a_100000184713_100015361967 [1,1,0,0,0,0|1,0,1]=4 4741 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [1,1,0,0,0,0|1,0,1]=4 4742 B11R1.189 O=Cc1cccc(c1)SCF 62a_100000014684_100015361967 [1,1,0,0,0,0|1,1,0]=4 4743 B11R1.189 O=Cc1cccc(c1)SCF 62a_100015361967_100000014684 [1,1,0,0,0,0|1,1,0]=4 4744 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [1,1,0,0,0,0|1,0,1]=4 4745 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [1,1,0,0,0,0|1,0,1]=4 4746 B11R1.189 [13CH3]OCc1cccc(c1)C#N 34a_100000753308_200025704644 [1,1,0,0,0,0|1,0,1]=4 4747 B11R1.189 [13CH3]OCc1cccc(c1)C#N 7a_100000753308_200025704644 [1,1,0,0,0,0|1,0,1]=4 4748 B11R1.189 [13CH3]OCc1cccc(c1)CBr 34a_100010188025_200025704644 [1,1,0,0,0,0|1,0,1]=4 4749 B11R1.189 [13CH3]OCc1cccc(c1)CBr 7a_100010188025_200025704644 [1,1,0,0,0,0|1,0,1]=4 4750 B11R1.189 [13CH3]OCc1cccc(c1)CCl 34a_200000090956_200025704644 [1,1,0,0,0,0|1,0,1]=4 4751 B11R1.189 [13CH3]OCc1cccc(c1)CCl 7a_200000090956_200025704644 [1,1,0,0,0,0|1,0,1]=4 4752 B11R1.189 [13CH3]OCc1cccc(c1)CN 34a_100011269909_200025704644 [1,1,0,0,0,0|1,0,1]=4 4753 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [1,1,0,0,0,0|0,0,2]=4 4754 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [1,1,0,0,0,0|0,0,2]=4 4755 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [1,1,0,0,0,0|0,0,2]=4 4756 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [1,1,0,0,0,0|0,0,2]=4 4757 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [1,1,0,0,0,0|1,0,1]=4 4758 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_100009816774_200025704644 [1,1,0,0,0,0|1,1,0]=4 4759 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_200025704644_100009816774 [1,1,0,0,0,0|1,1,0]=4 4760 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [1,1,0,0,0,0|0,1,1]=4 4761 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [1,1,0,0,0,0|0,1,1]=4 4762 B11R1.266 C=C(C)c1cc(ccn1)CC 271570a_100000694244_100009817561 [1,1,0,0,0,0|2,0,0]=4 4763 B11R1.266 C=C(C)c1cc(ccn1)NC 271570a_100000694244_100009869472 [1,1,0,0,0,0|2,0,0]=4 4764 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [1,1,0,0,0,0|1,0,0]=3 4765 B11R1.266 C=C(C)c1cc(ccn1)SC 271570a_100000694244_100010883326 [1,1,0,0,0,0|1,1,0]=4 4766 B11R1.266 C=C(C)c1cc(cnn1)OC 271570a_100000694244_100000087634 [1,1,0,0,0,0|2,0,0]=4 4767 B11R1.266 C=C(C)c1cc(ncn1)OC 271570a_100000694244_100012187182 [1,1,0,0,0,0|2,0,0]=4 4768 B11R1.266 C=C(C)c1cccc(c1)C#N 271570a_100000694244_100000189340 [1,1,0,0,0,0|2,0,0]=4 4769 B11R1.266 C=C(C)c1cccc(c1)C=O 271570a_100000694244_100000014684 [1,1,0,0,0,0|2,0,0]=4 4770 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [1,1,0,0,0,0|1,0,0]=3 4771 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [1,1,0,0,0,0|2,0,0]=4 4772 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [1,1,0,0,0,0|2,0,0]=4 4773 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [1,1,0,0,0,0|2,0,0]=4 4774 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [1,1,0,0,0,0|1,0,0]=3 4775 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [1,1,0,0,0,0|2,0,0]=4 4776 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [1,1,0,0,0,0|0,0,0]=2 4777 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [1,1,0,0,0,0|0,1,0]=3 4778 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [1,1,0,0,0,0|0,1,0]=3 4779 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [1,1,0,0,0,0|0,1,0]=3 4780 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [1,1,0,0,0,0|0,1,0]=3 4781 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [1,1,0,0,0,0|0,1,0]=3 4782 B11R1.266 C=C(C)c1cccc(n1)CC 271570a_100000694244_100009856026 [1,1,0,0,0,0|2,0,0]=4 4783 B11R1.266 C=C(C)c1cccc(n1)NC 271570a_100000694244_100000703281 [1,1,0,0,0,0|2,0,0]=4 4784 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [1,1,0,0,0,0|1,0,0]=3 4785 B11R1.266 C=C(C)c1cccc(n1)SC 271570a_100000694244_100011960944 [1,1,0,0,0,0|1,1,0]=4 4786 B11R1.266 C=C(C)c1ccnc(c1)CC 271570a_100000694244_100009820011 [1,1,0,0,0,0|2,0,0]=4 4787 B11R1.266 C=C(C)c1ccnc(c1)NC 271570a_100000694244_100009819592 [1,1,0,0,0,0|2,0,0]=4 4788 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [1,1,0,0,0,0|1,0,0]=3 4789 B11R1.266 C=C(C)c1ccnc(n1)OC 271570a_100000694244_100000069072 [1,1,0,0,0,0|2,0,0]=4 4790 B11R1.266 C=C(C)c1cncc(c1)CC 271570a_100000694244_200009819073 [1,1,0,0,0,0|2,0,0]=4 4791 B11R1.266 C=C(C)c1cncc(c1)NC 271570a_100000694244_100012184536 [1,1,0,0,0,0|2,0,0]=4 4792 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [1,1,0,0,0,0|1,0,0]=3 4793 B11R1.266 C=C(C)c1cncc(c1)SC 271570a_100000694244_100009816972 [1,1,0,0,0,0|1,1,0]=4 4794 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200000210301_200009889500 [1,1,0,0,0,0|1,1,0]=4 4795 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200009889500_200000210301 [1,1,0,0,0,0|1,1,0]=4 4796 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200009889500_200025704644 [1,1,0,0,0,0|1,1,0]=4 4797 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200025704644_200009889500 [1,1,0,0,0,0|1,1,0]=4 4798 B11R1.266 C=C(C)c1cncc(n1)OC 271570a_100000694244_100000756030 [1,1,0,0,0,0|2,0,0]=4 4799 B11R1.266 C=C(C)c1nccc(n1)OC 271570a_100000694244_100000182009 [1,1,0,0,0,0|2,0,0]=4 4800 B11R1.266 C=Cc1cc(ccn1)C(=O)C 271570a_100011290941_100000685609 [1,1,0,0,0,0|2,0,0]=4 4801 B11R1.266 C=Cc1cc(ccn1)C(C)C 271570a_100011290941_100010237925 [1,1,0,0,0,0|2,0,0]=4 4802 B11R1.266 C=Cc1cc(ccn1)N(C)C 271570a_100011290941_100000766659 [1,1,0,0,0,0|2,0,0]=4 4803 B11R1.266 C=Cc1cccc(c1)B(O)O 271570a_100011290941_100000687717 [1,1,0,0,0,0|2,0,0]=4 4804 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [1,1,0,0,0,0|1,0,0]=3 4805 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [1,1,0,0,0,0|1,0,0]=3 4806 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [1,1,0,0,0,0|1,0,0]=3 4807 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [1,1,0,0,0,0|2,0,0]=4 4808 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [1,1,0,0,0,0|1,0,0]=3 4809 B11R1.266 C=Cc1cccc(c1)C(C)C 271570a_100011290941_100011214899 [1,1,0,0,0,0|1,0,0]=3 4810 B11R1.266 C=Cc1cccc(c1)C(C)N 271570a_100011290941_100020642005 [1,1,0,0,0,0|1,0,0]=3 4811 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [1,1,0,0,0,0|1,0,0]=3 4812 B11R1.266 C=Cc1cccc(c1)C(F)F 271570a_100011290941_100009892619 [1,1,0,0,0,0|2,0,0]=4 4813 B11R1.266 C=Cc1cccc(c1)N(C)C 271570a_100011290941_100011215952 [1,1,0,0,0,0|1,0,0]=3 4814 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [1,1,0,0,0,0|0,1,0]=3 4815 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [1,1,0,0,0,0|2,0,0]=4 4816 B11R1.266 C=Cc1cccc(n1)C(C)C 271570a_100011290941_100012318657 [1,1,0,0,0,0|2,0,0]=4 4817 B11R1.266 C=Cc1cccc(n1)C(C)N 271570a_100011290941_200010173468 [1,1,0,0,0,0|2,0,0]=4 4818 B11R1.266 C=Cc1cccc(n1)C(C)O 271570a_100011290941_100009820884 [1,1,0,0,0,0|2,0,0]=4 4819 B11R1.266 C=Cc1cccc(n1)N(C)C 271570a_100011290941_100011960435 [1,1,0,0,0,0|2,0,0]=4 4820 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [1,1,0,0,0,0|2,0,0]=4 4821 B11R1.266 C=Cc1ccnc(c1)C(C)C 271570a_100011290941_100010237922 [1,1,0,0,0,0|2,0,0]=4 4822 B11R1.266 C=Cc1ccnc(c1)C(C)O 271570a_100011290941_100000144657 [1,1,0,0,0,0|2,0,0]=4 4823 B11R1.266 C=Cc1ccnc(c1)N(C)C 271570a_100011290941_100012361627 [1,1,0,0,0,0|2,0,0]=4 4824 B11R1.266 C=Cc1cncc(c1)C(=C)C 271570a_100011290941_200009889500 [1,1,0,0,0,0|2,0,0]=4 4825 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [1,1,0,0,0,0|2,0,0]=4 4826 B11R1.266 C=Cc1cncc(c1)C(C)C 271570a_100011290941_200010191214 [1,1,0,0,0,0|2,0,0]=4 4827 B11R1.266 C=Cc1cncc(c1)C(C)O 271570a_100011290941_100012351597 [1,1,0,0,0,0|2,0,0]=4 4828 B11R1.266 C=Cc1cncc(c1)N(C)C 271570a_100011290941_100012350714 [1,1,0,0,0,0|2,0,0]=4 4829 B11R1.266 C=Cc1cncc(c1)[C@@H](C)N 271570a_100011290941_100012350620 [1,1,0,0,0,0|2,0,0]=4 4830 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [1,1,0,0,0,0|0,0,1]=3 4831 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [1,1,0,0,0,0|0,0,1]=3 4832 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [1,1,0,0,0,0|0,1,1]=4 4833 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [1,1,0,0,0,0|0,1,1]=4 4834 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [1,1,0,0,0,0|0,0,2]=4 4835 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [1,1,0,0,0,0|0,0,2]=4 4836 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [1,1,0,0,0,0|0,0,2]=4 4837 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [1,1,0,0,0,0|0,0,2]=4 4838 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [1,1,0,0,0,0|0,0,2]=4 4839 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [1,1,0,0,0,0|0,0,2]=4 4840 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [1,1,0,0,0,0|1,0,1]=4 4841 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [1,1,0,0,0,0|1,0,1]=4 4842 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [1,1,0,0,0,0|1,0,1]=4 4843 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [1,1,0,0,0,0|2,0,0]=4 4844 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [1,1,0,0,0,0|0,0,1]=3 4845 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [1,1,0,0,0,0|0,0,1]=3 4846 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [1,1,0,0,0,0|0,0,1]=3 4847 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [1,1,0,0,0,0|1,0,0]=3 4848 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [1,1,0,0,0,0|1,0,0]=3 4849 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [1,1,0,0,0,0|0,0,1]=3 4850 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [1,1,0,0,0,0|1,0,0]=3 4851 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [1,1,0,0,0,0|0,0,2]=4 4852 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [1,1,0,0,0,0|0,0,2]=4 4853 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [1,1,0,0,0,0|0,0,2]=4 4854 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [1,1,0,0,0,0|0,0,2]=4 4855 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [1,1,0,0,0,0|0,0,2]=4 4856 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [1,1,0,0,0,0|0,0,2]=4 4857 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [1,1,0,0,0,0|1,0,1]=4 4858 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [1,1,0,0,0,0|1,0,1]=4 4859 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [1,1,0,0,0,0|1,0,1]=4 4860 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [1,1,0,0,0,0|1,0,1]=4 4861 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [1,1,0,0,0,0|1,0,1]=4 4862 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [1,1,0,0,0,0|1,0,1]=4 4863 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [1,1,0,0,0,0|1,0,1]=4 4864 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,1,0,0,0,0|2,0,0]=4 4865 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,1,0,0,0,0|2,0,0]=4 4866 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [1,1,0,0,0,0|2,0,0]=4 4867 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [1,1,0,0,0,0|0,1,1]=4 4868 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [1,1,0,0,0,0|0,1,1]=4 4869 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [1,1,0,0,0,0|0,1,1]=4 4870 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [1,1,0,0,0,0|1,1,0]=4 4871 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [1,1,0,0,0,0|1,1,0]=4 4872 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [1,1,0,0,0,0|0,1,1]=4 4873 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [1,1,0,0,0,0|2,0,0]=4 4874 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [1,1,0,0,0,0|1,0,0]=3 4875 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [1,1,0,0,0,0|1,0,0]=3 4876 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [1,1,0,0,0,0|1,0,0]=3 4877 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,1,0,0,0,0|2,0,0]=4 4878 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,1,0,0,0,0|2,0,0]=4 4879 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [1,1,0,0,0,0|2,0,0]=4 4880 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [1,1,0,0,0,0|1,1,0]=4 4881 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [1,1,0,0,0,0|1,1,0]=4 4882 B11R1.267 C=Cc1cccc(c1Br)CO 271570a_100011290941_100010240205 [1,1,0,0,0,0|2,0,0]=4 4883 B11R1.267 C=Cc1cccc(c1C)C#N 271570a_100011290941_100000721996 [1,1,0,0,0,0|2,0,0]=4 4884 B11R1.267 C=Cc1cccc(c1C)C=O 271570a_100011290941_100012179384 [1,1,0,0,0,0|2,0,0]=4 4885 B11R1.267 C=Cc1cccc(c1C)CN 271570a_100011290941_100000724210 [1,1,0,0,0,0|2,0,0]=4 4886 B11R1.267 C=Cc1cccc(c1C)CO 271570a_100011290941_100000694458 [1,1,0,0,0,0|2,0,0]=4 4887 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [1,1,0,0,0,0|0,0,0]=2 4888 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [1,1,0,0,0,0|0,0,0]=2 4889 B11R1.267 C=Cc1cccc(c1F)C#N 271570a_100011290941_100011934600 [1,1,0,0,0,0|2,0,0]=4 4890 B11R1.267 C=Cc1cccc(c1F)C=O 271570a_100011290941_100000766533 [1,1,0,0,0,0|2,0,0]=4 4891 B11R1.267 C=Cc1cccc(c1F)CN 271570a_100011290941_100015189953 [1,1,0,0,0,0|2,0,0]=4 4892 B11R1.267 C=Cc1cccc(c1F)CO 271570a_100011290941_100011935076 [1,1,0,0,0,0|2,0,0]=4 4893 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [1,1,0,0,0,0|0,0,0]=2 4894 B11R1.267 C=Cc1cccc(c1F)SC 62a_100010741937_200000210301 [1,1,0,0,0,0|0,1,0]=3 4895 B11R1.267 C=Cc1cccc(c1F)SC 62a_200000210301_100010741937 [1,1,0,0,0,0|0,1,0]=3 4896 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_100010741937_200025704644 [1,1,0,0,0,0|0,1,0]=3 4897 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_200025704644_100010741937 [1,1,0,0,0,0|0,1,0]=3 4898 B11R1.267 C=Cc1cccc(c1N)C#N 271570a_100011290941_100000690598 [1,1,0,0,0,0|2,0,0]=4 4899 B11R1.267 C=Cc1cccc(c1N)C=O 271570a_100011290941_100010144990 [1,1,0,0,0,0|2,0,0]=4 4900 B11R1.267 C=Cc1cccc(c1N)CO 271570a_100011290941_100012349457 [1,1,0,0,0,0|2,0,0]=4 4901 B11R1.267 C=Cc1cccc(c1N)NC 271570a_100011290941_100000695761 [1,1,0,0,0,0|1,0,0]=3 4902 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [1,1,0,0,0,0|0,0,0]=2 4903 B11R1.267 C=Cc1cccc(c1O)C#N 271570a_100011290941_100009817103 [1,1,0,0,0,0|2,0,0]=4 4904 B11R1.267 C=Cc1cccc(c1O)C=O 271570a_100011290941_100000737635 [1,1,0,0,0,0|2,0,0]=4 4905 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [1,1,0,0,0,0|1,0,0]=3 4906 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [1,1,0,0,0,0|0,0,0]=2 4907 B11R1.267 C=Cc1ccnc(c1C)OC 271570a_100011290941_100010068544 [1,1,0,0,0,0|1,0,0]=3 4908 B11R1.267 C=Cc1ccnc(c1F)OC 271570a_100011290941_100009885657 [1,1,0,0,0,0|1,0,0]=3 4909 B11R1.267 C=Cc1cncc(c1C)OC 271570a_100011290941_100010136163 [1,1,0,0,0,0|1,0,0]=3 4910 B11R1.267 C=Cc1nccc(c1C)OC 271570a_100011290941_100010067686 [1,1,0,0,0,0|1,0,0]=3 4911 B11R1.267 C=Cc1nccc(c1F)OC 271570a_100011290941_200010136267 [1,1,0,0,0,0|1,0,0]=3 4912 B11R1.267 C=Cc1nccc(c1F)SC 271570a_100011290941_200021123860 [1,1,0,0,0,0|1,1,0]=4 4913 B11R1.267 C=Cc1nccc(c1N)NC 271570a_100011290941_200000076579 [1,1,0,0,0,0|2,0,0]=4 4914 B11R1.267 C=Cc1nccc(c1N)OC 271570a_100011290941_100000100113 [1,1,0,0,0,0|1,0,0]=3 4915 B11R1.267 C=Cc1ncnc(c1C)OC 271570a_100011290941_200011912725 [1,1,0,0,0,0|2,0,0]=4 4916 B11R1.267 C=Cc1ncnc(c1N)OC 271570a_100011290941_100000686339 [1,1,0,0,0,0|2,0,0]=4 4917 B11R1.267 CNc1cccc(c1Br)OC 34a_100000703447_200000210301 [1,1,0,0,0,0|1,0,1]=4 4918 B11R1.267 CNc1cccc(c1C)OC 34a_100011244893_200000210301 [1,1,0,0,0,0|1,0,1]=4 4919 B11R1.267 CNc1cccc(c1C)OC 7a_100011244893_200000210301 [1,1,0,0,0,0|1,0,1]=4 4920 B11R1.267 CNc1cccc(c1Cl)OC 34a_100000089720_200000210301 [1,1,0,0,0,0|1,0,1]=4 4921 B11R1.267 CNc1cccc(c1F)OC 34a_100000100910_200000210301 [1,1,0,0,0,0|1,0,1]=4 4922 B11R1.267 CNc1cccc(c1I)OC 34a_100010245509_200000210301 [1,1,0,0,0,0|1,0,1]=4 4923 B11R1.267 CNc1cccc(c1O)OC 34a_100000123586_200000210301 [1,1,0,0,0,0|1,0,1]=4 4924 B11R1.267 COc1cccc(c1Br)C#N 34a_100009818990_200000210301 [1,1,0,0,0,0|1,0,1]=4 4925 B11R1.267 COc1cccc(c1Br)C#N 7a_100009818990_200000210301 [1,1,0,0,0,0|1,0,1]=4 4926 B11R1.267 COc1cccc(c1Br)N[13CH3] 34a_100000703447_200025704644 [1,1,0,0,0,0|1,0,1]=4 4927 B11R1.267 COc1cccc(c1Br)OC 34a_100010202623_200000210301 [1,1,0,0,0,0|1,0,1]=4 4928 B11R1.267 COc1cccc(c1Br)OC 7a_100010202623_200000210301 [1,1,0,0,0,0|1,0,1]=4 4929 B11R1.267 COc1cccc(c1Br)O[13CH3] 34a_100010202623_200025704644 [1,1,0,0,0,0|1,0,1]=4 4930 B11R1.267 COc1cccc(c1Br)O[13CH3] 7a_100010202623_200025704644 [1,1,0,0,0,0|1,0,1]=4 4931 B11R1.267 COc1cccc(c1Br)SC 62a_100010146559_200000210301 [1,1,0,0,0,0|1,0,1]=4 4932 B11R1.267 COc1cccc(c1Br)SC 62a_200000210301_100010146559 [1,1,0,0,0,0|1,0,1]=4 4933 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_100010146559_200025704644 [1,1,0,0,0,0|1,0,1]=4 4934 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_200025704644_100010146559 [1,1,0,0,0,0|1,0,1]=4 4935 B11R1.267 COc1cccc(c1C)C#N 34a_100000079589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4936 B11R1.267 COc1cccc(c1C)C#N 7a_100000079589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4937 B11R1.267 COc1cccc(c1C)CO 34a_200000084602_200000210301 [1,1,0,0,0,0|1,0,1]=4 4938 B11R1.267 COc1cccc(c1C)CO 7a_200000084602_200000210301 [1,1,0,0,0,0|1,0,1]=4 4939 B11R1.267 COc1cccc(c1C)N[13CH3] 34a_100011244893_200025704644 [1,1,0,0,0,0|1,0,1]=4 4940 B11R1.267 COc1cccc(c1C)N[13CH3] 7a_100011244893_200025704644 [1,1,0,0,0,0|1,0,1]=4 4941 B11R1.267 COc1cccc(c1C)SC 62a_100010002647_200000210301 [1,1,0,0,0,0|1,0,1]=4 4942 B11R1.267 COc1cccc(c1C)SC 62a_200000210301_100010002647 [1,1,0,0,0,0|1,0,1]=4 4943 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_100010002647_200025704644 [1,1,0,0,0,0|1,0,1]=4 4944 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_200025704644_100010002647 [1,1,0,0,0,0|1,0,1]=4 4945 B11R1.267 COc1cccc(c1Cl)C#N 34a_200009871651_200000210301 [1,1,0,0,0,0|1,0,1]=4 4946 B11R1.267 COc1cccc(c1Cl)C#N 7a_200009871651_200000210301 [1,1,0,0,0,0|1,0,1]=4 4947 B11R1.267 COc1cccc(c1Cl)N[13CH3] 34a_100000089720_200025704644 [1,1,0,0,0,0|1,0,1]=4 4948 B11R1.267 COc1cccc(c1Cl)OC 34a_100000087810_200000210301 [1,1,0,0,0,0|1,0,1]=4 4949 B11R1.267 COc1cccc(c1Cl)OC 7a_100000087810_200000210301 [1,1,0,0,0,0|1,0,1]=4 4950 B11R1.267 COc1cccc(c1Cl)O[13CH3] 34a_100000087810_200025704644 [1,1,0,0,0,0|1,0,1]=4 4951 B11R1.267 COc1cccc(c1Cl)O[13CH3] 7a_100000087810_200025704644 [1,1,0,0,0,0|1,0,1]=4 4952 B11R1.267 COc1cccc(c1Cl)SC 62a_100010147677_200000210301 [1,1,0,0,0,0|1,0,1]=4 4953 B11R1.267 COc1cccc(c1Cl)SC 62a_200000210301_100010147677 [1,1,0,0,0,0|1,0,1]=4 4954 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_100010147677_200025704644 [1,1,0,0,0,0|1,0,1]=4 4955 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_200025704644_100010147677 [1,1,0,0,0,0|1,0,1]=4 4956 B11R1.267 COc1cccc(c1F)C#N 34a_200000094591_200000210301 [1,1,0,0,0,0|1,0,1]=4 4957 B11R1.267 COc1cccc(c1F)C#N 7a_200000094591_200000210301 [1,1,0,0,0,0|1,0,1]=4 4958 B11R1.267 COc1cccc(c1F)CN 34a_100025773512_200000210301 [1,1,0,0,0,0|1,0,1]=4 4959 B11R1.267 COc1cccc(c1F)N[13CH3] 34a_100000100910_200025704644 [1,1,0,0,0,0|1,0,1]=4 4960 B11R1.267 COc1cccc(c1F)OC 34a_100000102366_200000210301 [1,1,0,0,0,0|1,0,1]=4 4961 B11R1.267 COc1cccc(c1F)OC 7a_100000102366_200000210301 [1,1,0,0,0,0|1,0,1]=4 4962 B11R1.267 COc1cccc(c1F)O[13CH3] 34a_100000102366_200025704644 [1,1,0,0,0,0|1,0,1]=4 4963 B11R1.267 COc1cccc(c1F)O[13CH3] 7a_100000102366_200025704644 [1,1,0,0,0,0|1,0,1]=4 4964 B11R1.267 COc1cccc(c1F)SC 62a_100010185846_200000210301 [1,1,0,0,0,0|1,0,1]=4 4965 B11R1.267 COc1cccc(c1F)SC 62a_200000210301_100010185846 [1,1,0,0,0,0|1,0,1]=4 4966 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_100010185846_200025704644 [1,1,0,0,0,0|1,0,1]=4 4967 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_200025704644_100010185846 [1,1,0,0,0,0|1,0,1]=4 4968 B11R1.267 COc1cccc(c1I)N[13CH3] 34a_100010245509_200025704644 [1,1,0,0,0,0|1,0,1]=4 4969 B11R1.267 COc1cccc(c1I)OC 34a_200010201982_200000210301 [1,1,0,0,0,0|1,0,1]=4 4970 B11R1.267 COc1cccc(c1I)OC 7a_200010201982_200000210301 [1,1,0,0,0,0|1,0,1]=4 4971 B11R1.267 COc1cccc(c1I)O[13CH3] 34a_200010201982_200025704644 [1,1,0,0,0,0|1,0,1]=4 4972 B11R1.267 COc1cccc(c1I)O[13CH3] 7a_200010201982_200025704644 [1,1,0,0,0,0|1,0,1]=4 4973 B11R1.267 COc1cccc(c1N)OC 34a_100012022766_200000210301 [1,1,0,0,0,0|1,0,1]=4 4974 B11R1.267 COc1cccc(c1N)OC 7a_100012022766_200000210301 [1,1,0,0,0,0|1,0,1]=4 4975 B11R1.267 COc1cccc(c1N)O[13CH3] 34a_100012022766_200025704644 [1,1,0,0,0,0|1,0,1]=4 4976 B11R1.267 COc1cccc(c1N)O[13CH3] 7a_100012022766_200025704644 [1,1,0,0,0,0|1,0,1]=4 4977 B11R1.267 COc1cccc(c1N)SC 62a_100000708083_200000210301 [1,1,0,0,0,0|1,0,1]=4 4978 B11R1.267 COc1cccc(c1N)S[13CH3] 62a_100000708083_200025704644 [1,1,0,0,0,0|1,0,1]=4 4979 B11R1.267 COc1cccc(c1O)CO 271570a_203496583355_100010236476 [1,1,0,0,0,0|1,0,1]=4 4980 B11R1.267 COc1cccc(c1O)N[13CH3] 34a_100000123586_200025704644 [1,1,0,0,0,0|1,0,1]=4 4981 B11R1.267 COc1cccc(c1O)OC 271570a_203496583355_100000050062 [1,1,0,0,0,0|1,0,1]=4 4982 B11R1.267 COc1cccc(c1O)SC 62a_200000210301_100000686866 [1,1,0,0,0,0|1,0,1]=4 4983 B11R1.267 COc1cccc(c1O)S[13CH3] 62a_200025704644_100000686866 [1,1,0,0,0,0|1,0,1]=4 4984 B11R1.267 CSc1cccc(c1C)C=O 62a_100012179384_200000210301 [1,1,0,0,0,0|1,1,0]=4 4985 B11R1.267 CSc1cccc(c1C)C=O 62a_200000210301_100012179384 [1,1,0,0,0,0|1,1,0]=4 4986 B11R1.267 CSc1cccc(c1F)C=O 62a_100000766533_200000210301 [1,1,0,0,0,0|1,1,0]=4 4987 B11R1.267 CSc1cccc(c1F)C=O 62a_200000210301_100000766533 [1,1,0,0,0,0|1,1,0]=4 4988 B11R1.267 CSc1cccc(c1N)C=O 62a_100010144990_200000210301 [1,1,0,0,0,0|1,1,0]=4 4989 B11R1.267 CSc1cccc(c1O)C=O 62a_200000210301_100010171435 [1,1,0,0,0,0|1,1,0]=4 4990 B11R1.267 Cc1c(cccc1O[13CH3])C#N 34a_100000079589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4991 B11R1.267 Cc1c(cccc1O[13CH3])C#N 7a_100000079589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4992 B11R1.267 Cc1c(cccc1O[13CH3])CO 34a_200000084602_200025704644 [1,1,0,0,0,0|1,0,1]=4 4993 B11R1.267 Cc1c(cccc1O[13CH3])CO 7a_200000084602_200025704644 [1,1,0,0,0,0|1,0,1]=4 4994 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_100012179384_200025704644 [1,1,0,0,0,0|1,1,0]=4 4995 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_200025704644_100012179384 [1,1,0,0,0,0|1,1,0]=4 4996 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 34a_100009818990_200025704644 [1,1,0,0,0,0|1,0,1]=4 4997 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 7a_100009818990_200025704644 [1,1,0,0,0,0|1,0,1]=4 4998 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 34a_200009871651_200025704644 [1,1,0,0,0,0|1,0,1]=4 4999 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 7a_200009871651_200025704644 [1,1,0,0,0,0|1,0,1]=4 5000 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 34a_200000094591_200025704644 [1,1,0,0,0,0|1,0,1]=4 5001 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 7a_200000094591_200025704644 [1,1,0,0,0,0|1,0,1]=4 5002 B11R1.267 [13CH3]Oc1cccc(c1F)CN 34a_100025773512_200025704644 [1,1,0,0,0,0|1,0,1]=4 5003 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_100000766533_200025704644 [1,1,0,0,0,0|1,1,0]=4 5004 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_200025704644_100000766533 [1,1,0,0,0,0|1,1,0]=4 5005 B11R1.267 [13CH3]Sc1cccc(c1N)C=O 62a_100010144990_200025704644 [1,1,0,0,0,0|1,1,0]=4 5006 B11R1.267 [13CH3]Sc1cccc(c1O)C=O 62a_200025704644_100010171435 [1,1,0,0,0,0|1,1,0]=4 5007 B11R1.14 C=Cc1cc(c(=O)n(c1)C)C 271570a_100011290941_100011830242 [1,1,0,0,0,0|1,0,1]=4 5008 B11R1.14 C=Cc1cc(c(=O)n(c1)C)F 271570a_100011290941_100010749421 [1,1,0,0,0,0|1,0,1]=4 5009 B11R1.14 C=Cc1cc(c(=O)n(c1)C)N 271570a_100011290941_106446545582 [1,1,0,0,0,0|1,0,1]=4 5010 B11R1.14 C=Cc1cc(c(c(c1)Br)C)Br 271570a_100011290941_100011099977 [1,1,0,0,0,0|2,0,0]=4 5011 B11R1.14 C=Cc1cc(c(c(c1)Br)O)C 271570a_100011290941_100010982682 [1,1,0,0,0,0|0,0,0]=2 5012 B11R1.14 C=Cc1cc(c(c(c1)C)C)C 271570a_100011290941_200011015895 [1,1,0,0,0,0|1,0,0]=3 5013 B11R1.14 C=Cc1cc(c(c(c1)C)F)C 271570a_100011290941_100009814169 [1,1,0,0,0,0|1,0,0]=3 5014 B11R1.14 C=Cc1cc(c(c(c1)C)N)C 271570a_100011290941_100000737279 [1,1,0,0,0,0|1,0,0]=3 5015 B11R1.14 C=Cc1cc(c(c(c1)C)O)C 271570a_100011290941_100000187306 [1,1,0,0,0,0|0,0,0]=2 5016 B11R1.14 C=Cc1cc(c(c(c1)Cl)Br)Cl 271570a_100011290941_200010212260 [1,1,0,0,0,0|2,0,0]=4 5017 B11R1.14 C=Cc1cc(c(c(c1)Cl)F)Cl 271570a_100011290941_100012357505 [1,1,0,0,0,0|2,0,0]=4 5018 B11R1.14 C=Cc1cc(c(c(c1)Cl)O)C 271570a_100011290941_200015900153 [1,1,0,0,0,0|0,0,0]=2 5019 B11R1.14 C=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100011290941_100012339652 [1,1,0,0,0,0|1,0,0]=3 5020 B11R1.14 C=Cc1cc(c(c(c1)F)C)F 271570a_100011290941_100009814309 [1,1,0,0,0,0|2,0,0]=4 5021 B11R1.14 C=Cc1cc(c(c(c1)F)C)N 271570a_100011290941_100009813729 [1,1,0,0,0,0|2,0,0]=4 5022 B11R1.14 C=Cc1cc(c(c(c1)F)Cl)F 271570a_100011290941_100010154629 [1,1,0,0,0,0|2,0,0]=4 5023 B11R1.14 C=Cc1cc(c(c(c1)F)F)C 271570a_100011290941_200011068660 [1,1,0,0,0,0|1,0,0]=3 5024 B11R1.14 C=Cc1cc(c(c(c1)F)F)F 271570a_100011290941_100011215606 [1,1,0,0,0,0|2,0,0]=4 5025 B11R1.14 C=Cc1cc(c(c(c1)F)F)O 271570a_100011290941_100000709865 [1,1,0,0,0,0|1,0,0]=3 5026 B11R1.14 C=Cc1cc(c(c(c1)F)N)C 271570a_100011290941_100000709789 [1,1,0,0,0,0|1,0,0]=3 5027 B11R1.14 C=Cc1cc(c(c(c1)F)N)F 271570a_100011290941_100000758902 [1,1,0,0,0,0|2,0,0]=4 5028 B11R1.14 C=Cc1cc(c(c(c1)F)N)N 271570a_100011290941_100011218333 [1,1,0,0,0,0|2,0,0]=4 5029 B11R1.14 C=Cc1cc(c(c(c1)F)N)O 271570a_100011290941_100015475841 [1,1,0,0,0,0|1,0,0]=3 5030 B11R1.14 C=Cc1cc(c(c(c1)F)O)F 271570a_100011290941_100011216917 [1,1,0,0,0,0|1,0,0]=3 5031 B11R1.14 C=Cc1cc(c(c(c1)F)O)N 271570a_100011290941_100011217383 [1,1,0,0,0,0|1,0,0]=3 5032 B11R1.14 C=Cc1cc(c(c(c1)N)F)C 271570a_100011290941_100010381932 [1,1,0,0,0,0|1,0,0]=3 5033 B11R1.14 C=Cc1cc(c(c(c1)N)N)C 271570a_100011290941_100000688557 [1,1,0,0,0,0|1,0,0]=3 5034 B11R1.14 C=Cc1cc(c(c(c1)N)O)C 271570a_100011290941_100011825904 [1,1,0,0,0,0|0,0,0]=2 5035 B11R1.14 C=Cc1cc(c(c(c1)O)N)C 271570a_100011290941_100010371313 [1,1,0,0,0,0|1,0,0]=3 5036 B11R1.14 C=Cc1cc(c(c(n1)C)N)C 271570a_100011290941_100009817025 [1,1,0,0,0,0|2,0,0]=4 5037 B11R1.14 CNc1cc(c(c(c1)Br)O)C 34a_100010064301_200000210301 [1,1,0,0,0,0|1,0,1]=4 5038 B11R1.14 CNc1cc(c(c(c1)Br)O)C 7a_100010064301_200000210301 [1,1,0,0,0,0|1,0,1]=4 5039 B11R1.14 CNc1cc(c(c(c1)C)O)C 34a_100000703291_200000210301 [1,1,0,0,0,0|1,0,1]=4 5040 B11R1.14 CNc1cc(c(c(c1)C)O)C 7a_100000703291_200000210301 [1,1,0,0,0,0|1,0,1]=4 5041 B11R1.14 COc1cc(c(c(c1)C)O)C 271570a_203496583355_100012160682 [1,1,0,0,0,0|1,0,1]=4 5042 B11R1.14 COc1cc(c(c(c1)O)O)N 271570a_203496583355_200010008348 [1,1,0,0,0,0|1,0,1]=4 5043 B11R1.14 CSc1cc(c(c(c1)Br)O)C 62a_100010982682_200000210301 [1,1,0,0,0,0|1,0,1]=4 5044 B11R1.14 CSc1cc(c(c(c1)Br)O)C 62a_200000210301_100010982682 [1,1,0,0,0,0|1,0,1]=4 5045 B11R1.14 CSc1cc(c(c(c1)C)O)C 62a_100011216129_200000210301 [1,1,0,0,0,0|1,0,1]=4 5046 B11R1.14 CSc1cc(c(c(c1)C)O)C 62a_200000210301_100011216129 [1,1,0,0,0,0|1,0,1]=4 5047 B11R1.14 CSc1cc(c(c(c1)Cl)O)C 62a_200000210301_200015900153 [1,1,0,0,0,0|1,0,1]=4 5048 B11R1.14 CSc1cc(c(c(c1)Cl)O)C 62a_200015900153_200000210301 [1,1,0,0,0,0|1,0,1]=4 5049 B11R1.14 CSc1cc(c(c(c1)F)O)O 62a_200000210301_100010114375 [1,1,0,0,0,0|1,0,1]=4 5050 B11R1.14 CSc1cc(c(c(c1)N)O)C 62a_100011825904_200000210301 [1,1,0,0,0,0|1,0,1]=4 5051 B11R1.14 CSc1cc(c(c(c1)N)O)C 62a_200000210301_100011825904 [1,1,0,0,0,0|1,0,1]=4 5052 B11R1.14 CSc1cc(c(c(c1)O)O)O 62a_200000210301_100010658518 [1,1,0,0,0,0|1,0,1]=4 5053 B11R1.14 Cc1c(cc(cc1F)C=O)O 271570a_203496583355_100010132949 [1,1,0,0,0,0|2,0,0]=4 5054 B11R1.14 Cc1cc(cc(c1O)Br)N[13CH3] 34a_100010064301_200025704644 [1,1,0,0,0,0|1,0,1]=4 5055 B11R1.14 Cc1cc(cc(c1O)Br)N[13CH3] 7a_100010064301_200025704644 [1,1,0,0,0,0|1,0,1]=4 5056 B11R1.14 Cc1cc(cc(c1O)Br)S[13CH3] 62a_100010982682_200025704644 [1,1,0,0,0,0|1,0,1]=4 5057 B11R1.14 Cc1cc(cc(c1O)Br)S[13CH3] 62a_200025704644_100010982682 [1,1,0,0,0,0|1,0,1]=4 5058 B11R1.14 Cc1cc(cc(c1O)C)C#N 271570a_203496583355_100000707521 [1,1,0,0,0,0|1,0,1]=4 5059 B11R1.14 Cc1cc(cc(c1O)C)C=O 271570a_203496583355_100000102522 [1,1,0,0,0,0|1,0,0]=3 5060 B11R1.14 Cc1cc(cc(c1O)C)CO 271570a_203496583355_100012339607 [1,1,0,0,0,0|1,0,1]=4 5061 B11R1.14 Cc1cc(cc(c1O)C)N[13CH3] 34a_100000703291_200025704644 [1,1,0,0,0,0|1,0,1]=4 5062 B11R1.14 Cc1cc(cc(c1O)C)N[13CH3] 7a_100000703291_200025704644 [1,1,0,0,0,0|1,0,1]=4 5063 B11R1.14 Cc1cc(cc(c1O)C)S[13CH3] 62a_100011216129_200025704644 [1,1,0,0,0,0|1,0,1]=4 5064 B11R1.14 Cc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100011216129 [1,1,0,0,0,0|1,0,1]=4 5065 B11R1.14 Cc1cc(cc(c1O)Cl)S[13CH3] 62a_200015900153_200025704644 [1,1,0,0,0,0|1,0,1]=4 5066 B11R1.14 Cc1cc(cc(c1O)Cl)S[13CH3] 62a_200025704644_200015900153 [1,1,0,0,0,0|1,0,1]=4 5067 B11R1.14 Cc1cc(cc(c1O)N)S[13CH3] 62a_100011825904_200025704644 [1,1,0,0,0,0|1,0,1]=4 5068 B11R1.14 Cc1cc(cc(c1O)N)S[13CH3] 62a_200025704644_100011825904 [1,1,0,0,0,0|1,0,1]=4 5069 B11R1.14 N#Cc1cc(c(c(c1)O)O)O 271570a_203496583355_100010672013 [1,1,0,0,0,0|1,0,1]=4 5070 B11R1.14 O=Cc1cc(c(c(c1)Br)F)O 271570a_203496583355_100010270029 [1,1,0,0,0,0|2,0,0]=4 5071 B11R1.14 O=Cc1cc(c(c(c1)F)F)O 271570a_203496583355_200010341283 [1,1,0,0,0,0|2,0,0]=4 5072 B11R1.14 O=Cc1cc(c(c(c1)F)O)F 271570a_203496583355_100000104493 [1,1,0,0,0,0|2,0,0]=4 5073 B11R1.14 O=Cc1cc(c(c(c1)F)O)O 271570a_203496583355_100010295671 [1,1,0,0,0,0|1,0,0]=3 5074 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)O)O 62a_200025704644_100010114375 [1,1,0,0,0,0|1,0,1]=4 5075 B11R1.14 [13CH3]Sc1cc(c(c(c1)O)O)O 62a_200025704644_100010658518 [1,1,0,0,0,0|1,0,1]=4 5076 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)O 271570a_100000694244_100009814561 [1,1,0,0,0,0|1,0,1]=4 5077 B11R1.21 C=C(C)c1cc(c(cn1)Br)C 271570a_100000694244_100012356354 [1,1,0,0,0,0|2,0,0]=4 5078 B11R1.21 C=C(C)c1cc(c(cn1)C)C 271570a_100000694244_100009850809 [1,1,0,0,0,0|2,0,0]=4 5079 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [1,1,0,0,0,0|2,0,0]=4 5080 B11R1.21 C=C(C)c1cc(c(cn1)F)C 271570a_100000694244_100009818257 [1,1,0,0,0,0|2,0,0]=4 5081 B11R1.21 C=C(C)c1cc(c(cn1)F)O 271570a_100000694244_100009854642 [1,1,0,0,0,0|2,0,0]=4 5082 B11R1.21 C=C(C)c1cc(c(cn1)N)C 271570a_100000694244_100000765520 [1,1,0,0,0,0|2,0,0]=4 5083 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [1,1,0,0,0,0|1,0,0]=3 5084 B11R1.21 C=C(C)c1cc(c(cn1)O)N 271570a_100000694244_100009819941 [1,1,0,0,0,0|2,0,0]=4 5085 B11R1.21 C=C(C)c1ccc(=O)n(c1)C 271570a_100000694244_100011245003 [1,1,0,0,0,0|1,0,1]=4 5086 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [1,1,0,0,0,0|2,0,0]=4 5087 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [1,1,0,0,0,0|2,0,0]=4 5088 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [1,1,0,0,0,0|2,0,0]=4 5089 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [1,1,0,0,0,0|2,0,0]=4 5090 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [1,1,0,0,0,0|2,0,0]=4 5091 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [1,1,0,0,0,0|1,0,0]=3 5092 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [1,1,0,0,0,0|1,0,0]=3 5093 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [1,1,0,0,0,0|1,0,0]=3 5094 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [1,1,0,0,0,0|1,0,0]=3 5095 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [1,1,0,0,0,0|1,0,0]=3 5096 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [1,1,0,0,0,0|1,0,0]=3 5097 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|0,0,0]=2 5098 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [1,1,0,0,0,0|2,0,0]=4 5099 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [1,1,0,0,0,0|2,0,0]=4 5100 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [1,1,0,0,0,0|2,0,0]=4 5101 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [1,1,0,0,0,0|2,0,0]=4 5102 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [1,1,0,0,0,0|2,0,0]=4 5103 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [1,1,0,0,0,0|1,0,0]=3 5104 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [1,1,0,0,0,0|2,0,0]=4 5105 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [1,1,0,0,0,0|2,0,0]=4 5106 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [1,1,0,0,0,0|2,0,0]=4 5107 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [1,1,0,0,0,0|2,0,0]=4 5108 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [1,1,0,0,0,0|2,0,0]=4 5109 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [1,1,0,0,0,0|1,0,0]=3 5110 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [1,1,0,0,0,0|2,0,0]=4 5111 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [1,1,0,0,0,0|2,0,0]=4 5112 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [1,1,0,0,0,0|2,0,0]=4 5113 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [1,1,0,0,0,0|2,0,0]=4 5114 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [1,1,0,0,0,0|2,0,0]=4 5115 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,1,0,0,0,0|1,0,0]=3 5116 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [1,1,0,0,0,0|1,0,0]=3 5117 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|1,0,0]=3 5118 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [1,1,0,0,0,0|1,0,0]=3 5119 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [1,1,0,0,0,0|1,0,0]=3 5120 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,1,0,0,0,0|1,0,0]=3 5121 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|0,0,0]=2 5122 B11R1.21 C=C(C)c1ccc(c(n1)Br)O 271570a_100000694244_100000725334 [1,1,0,0,0,0|2,0,0]=4 5123 B11R1.21 C=C(C)c1ccc(c(n1)C)Br 271570a_100000694244_100012360386 [1,1,0,0,0,0|2,0,0]=4 5124 B11R1.21 C=C(C)c1ccc(c(n1)C)C 271570a_100000694244_100000103781 [1,1,0,0,0,0|2,0,0]=4 5125 B11R1.21 C=C(C)c1ccc(c(n1)C)F 271570a_100000694244_100009814307 [1,1,0,0,0,0|2,0,0]=4 5126 B11R1.21 C=C(C)c1ccc(c(n1)C)N 271570a_100000694244_100000760127 [1,1,0,0,0,0|2,0,0]=4 5127 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [1,1,0,0,0,0|1,0,0]=3 5128 B11R1.21 C=C(C)c1ccc(c(n1)Cl)O 271570a_100000694244_100000721234 [1,1,0,0,0,0|2,0,0]=4 5129 B11R1.21 C=C(C)c1ccc(c(n1)F)O 271570a_100000694244_100009819667 [1,1,0,0,0,0|2,0,0]=4 5130 B11R1.21 C=C(C)c1ccc(c(n1)N)O 271570a_100000694244_100000685527 [1,1,0,0,0,0|2,0,0]=4 5131 B11R1.21 C=C(C)c1ccc(c(n1)O)F 271570a_100000694244_100010729010 [1,1,0,0,0,0|2,0,0]=4 5132 B11R1.21 C=C(C)c1ccc(c(n1)O)N 271570a_100000694244_100000718904 [1,1,0,0,0,0|2,0,0]=4 5133 B11R1.21 C=C(C)c1cnc(c(c1)C)Br 271570a_100000694244_100009816107 [1,1,0,0,0,0|2,0,0]=4 5134 B11R1.21 C=C(C)c1cnc(c(c1)C)C 271570a_100000694244_100000697892 [1,1,0,0,0,0|2,0,0]=4 5135 B11R1.21 C=C(C)c1cnc(c(c1)C)Cl 271570a_100000694244_100009922867 [1,1,0,0,0,0|2,0,0]=4 5136 B11R1.21 C=C(C)c1cnc(c(c1)C)F 271570a_100000694244_100000709442 [1,1,0,0,0,0|2,0,0]=4 5137 B11R1.21 C=C(C)c1cnc(c(c1)C)N 271570a_100000694244_100000186686 [1,1,0,0,0,0|2,0,0]=4 5138 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [1,1,0,0,0,0|1,0,0]=3 5139 B11R1.21 C=C(C)c1cnc(c(c1)Cl)O 271570a_100000694244_100010238531 [1,1,0,0,0,0|2,0,0]=4 5140 B11R1.21 C=C(C)c1cnc(c(c1)N)O 271570a_100000694244_100000743729 [1,1,0,0,0,0|2,0,0]=4 5141 B11R1.21 C=C(C)c1cnc(c(c1)O)C 271570a_100000694244_100009864810 [1,1,0,0,0,0|2,0,0]=4 5142 B11R1.21 C=C(C)c1cnc(c(c1)O)F 271570a_100000694244_100009819871 [1,1,0,0,0,0|2,0,0]=4 5143 B11R1.21 C=C(C)c1cnc(c(c1)O)N 271570a_100000694244_100009819042 [1,1,0,0,0,0|2,0,0]=4 5144 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [1,1,0,0,0,0|1,0,1]=4 5145 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|1,0,1]=4 5146 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|1,0,1]=4 5147 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|1,0,1]=4 5148 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|1,0,1]=4 5149 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|1,0,1]=4 5150 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|1,0,1]=4 5151 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|1,0,1]=4 5152 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|0,0,1]=3 5153 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|0,0,1]=3 5154 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|1,0,1]=4 5155 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|1,0,1]=4 5156 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|1,0,1]=4 5157 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|1,0,1]=4 5158 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|1,0,1]=4 5159 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|1,0,1]=4 5160 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|1,0,1]=4 5161 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|1,0,1]=4 5162 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|1,0,1]=4 5163 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|1,0,1]=4 5164 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|1,0,1]=4 5165 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|1,0,1]=4 5166 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|1,0,1]=4 5167 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|1,0,1]=4 5168 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|0,0,1]=3 5169 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|0,0,1]=3 5170 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [1,1,0,0,0,0|1,0,1]=4 5171 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|1,0,1]=4 5172 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|1,0,1]=4 5173 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|1,0,1]=4 5174 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|1,0,1]=4 5175 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [1,1,0,0,0,0|2,0,0]=4 5176 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|1,0,0]=3 5177 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|0,0,1]=3 5178 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [1,1,0,0,0,0|1,0,1]=4 5179 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|1,0,1]=4 5180 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|2,0,0]=4 5181 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|1,0,1]=4 5182 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|2,0,0]=4 5183 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|2,0,0]=4 5184 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|2,0,0]=4 5185 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|1,0,0]=3 5186 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|1,0,1]=4 5187 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|1,0,1]=4 5188 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|1,0,1]=4 5189 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|1,0,1]=4 5190 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|1,0,1]=4 5191 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|1,0,1]=4 5192 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|1,0,1]=4 5193 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|1,0,1]=4 5194 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|0,0,1]=3 5195 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)O 271570a_100015277604_100009814561 [1,1,0,0,0,0|1,0,1]=4 5196 B11R1.192 C=C=Cc1cc(c(cn1)Br)C 271570a_100015277604_100012356354 [1,1,0,0,0,0|2,0,0]=4 5197 B11R1.192 C=C=Cc1cc(c(cn1)C)C 271570a_100015277604_100009850809 [1,1,0,0,0,0|2,0,0]=4 5198 B11R1.192 C=C=Cc1cc(c(cn1)C)O 271570a_100015277604_100000704368 [1,1,0,0,0,0|2,0,0]=4 5199 B11R1.192 C=C=Cc1cc(c(cn1)F)C 271570a_100015277604_100009818257 [1,1,0,0,0,0|2,0,0]=4 5200 B11R1.192 C=C=Cc1cc(c(cn1)F)O 271570a_100015277604_100009854642 [1,1,0,0,0,0|2,0,0]=4 5201 B11R1.192 C=C=Cc1cc(c(cn1)N)C 271570a_100015277604_100000765520 [1,1,0,0,0,0|2,0,0]=4 5202 B11R1.192 C=C=Cc1cc(c(cn1)O)C 271570a_100015277604_100000692680 [1,1,0,0,0,0|1,0,0]=3 5203 B11R1.192 C=C=Cc1cc(c(cn1)O)N 271570a_100015277604_100009819941 [1,1,0,0,0,0|2,0,0]=4 5204 B11R1.192 C=C=Cc1ccc(=O)n(c1)C 271570a_100015277604_100011245003 [1,1,0,0,0,0|1,0,1]=4 5205 B11R1.192 C=C=Cc1ccc(c(c1)Br)Br 271570a_100015277604_100012356285 [1,1,0,0,0,0|2,0,0]=4 5206 B11R1.192 C=C=Cc1ccc(c(c1)Br)C 271570a_100015277604_100011847877 [1,1,0,0,0,0|2,0,0]=4 5207 B11R1.192 C=C=Cc1ccc(c(c1)Br)Cl 271570a_100015277604_100012353702 [1,1,0,0,0,0|2,0,0]=4 5208 B11R1.192 C=C=Cc1ccc(c(c1)Br)F 271570a_100015277604_100012047266 [1,1,0,0,0,0|2,0,0]=4 5209 B11R1.192 C=C=Cc1ccc(c(c1)Br)N 271570a_100015277604_100000750455 [1,1,0,0,0,0|2,0,0]=4 5210 B11R1.192 C=C=Cc1ccc(c(c1)Br)O 271570a_100015277604_100012361655 [1,1,0,0,0,0|1,0,0]=3 5211 B11R1.192 C=C=Cc1ccc(c(c1)C)Br 271570a_100015277604_100009813585 [1,1,0,0,0,0|1,0,0]=3 5212 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [1,1,0,0,0,0|1,0,0]=3 5213 B11R1.192 C=C=Cc1ccc(c(c1)C)Cl 271570a_100015277604_100000049509 [1,1,0,0,0,0|1,0,0]=3 5214 B11R1.192 C=C=Cc1ccc(c(c1)C)F 271570a_100015277604_100011218330 [1,1,0,0,0,0|1,0,0]=3 5215 B11R1.192 C=C=Cc1ccc(c(c1)C)N 271570a_100015277604_100000211769 [1,1,0,0,0,0|1,0,0]=3 5216 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [1,1,0,0,0,0|0,0,0]=2 5217 B11R1.192 C=C=Cc1ccc(c(c1)Cl)Br 271570a_100015277604_100012047281 [1,1,0,0,0,0|2,0,0]=4 5218 B11R1.192 C=C=Cc1ccc(c(c1)Cl)C 271570a_100015277604_100011216363 [1,1,0,0,0,0|2,0,0]=4 5219 B11R1.192 C=C=Cc1ccc(c(c1)Cl)Cl 271570a_100015277604_100011214914 [1,1,0,0,0,0|2,0,0]=4 5220 B11R1.192 C=C=Cc1ccc(c(c1)Cl)F 271570a_100015277604_100011215976 [1,1,0,0,0,0|2,0,0]=4 5221 B11R1.192 C=C=Cc1ccc(c(c1)Cl)N 271570a_100015277604_100011218065 [1,1,0,0,0,0|2,0,0]=4 5222 B11R1.192 C=C=Cc1ccc(c(c1)Cl)O 271570a_100015277604_100012360047 [1,1,0,0,0,0|1,0,0]=3 5223 B11R1.192 C=C=Cc1ccc(c(c1)F)Br 271570a_100015277604_100000685389 [1,1,0,0,0,0|2,0,0]=4 5224 B11R1.192 C=C=Cc1ccc(c(c1)F)C 271570a_100015277604_100000720648 [1,1,0,0,0,0|2,0,0]=4 5225 B11R1.192 C=C=Cc1ccc(c(c1)F)Cl 271570a_100015277604_100011216805 [1,1,0,0,0,0|2,0,0]=4 5226 B11R1.192 C=C=Cc1ccc(c(c1)F)F 271570a_100015277604_100000750028 [1,1,0,0,0,0|2,0,0]=4 5227 B11R1.192 C=C=Cc1ccc(c(c1)F)N 271570a_100015277604_100011215594 [1,1,0,0,0,0|2,0,0]=4 5228 B11R1.192 C=C=Cc1ccc(c(c1)F)O 271570a_100015277604_100000185481 [1,1,0,0,0,0|1,0,0]=3 5229 B11R1.192 C=C=Cc1ccc(c(c1)N)Br 271570a_100015277604_100000750456 [1,1,0,0,0,0|2,0,0]=4 5230 B11R1.192 C=C=Cc1ccc(c(c1)N)C 271570a_100015277604_100000761890 [1,1,0,0,0,0|2,0,0]=4 5231 B11R1.192 C=C=Cc1ccc(c(c1)N)Cl 271570a_100015277604_200000761891 [1,1,0,0,0,0|2,0,0]=4 5232 B11R1.192 C=C=Cc1ccc(c(c1)N)F 271570a_100015277604_100000740924 [1,1,0,0,0,0|2,0,0]=4 5233 B11R1.192 C=C=Cc1ccc(c(c1)N)N 271570a_100015277604_100000741789 [1,1,0,0,0,0|2,0,0]=4 5234 B11R1.192 C=C=Cc1ccc(c(c1)N)O 271570a_100015277604_100000752626 [1,1,0,0,0,0|1,0,0]=3 5235 B11R1.192 C=C=Cc1ccc(c(c1)O)Br 271570a_100015277604_100012356990 [1,1,0,0,0,0|1,0,0]=3 5236 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [1,1,0,0,0,0|1,0,0]=3 5237 B11R1.192 C=C=Cc1ccc(c(c1)O)Cl 271570a_100015277604_100011356854 [1,1,0,0,0,0|1,0,0]=3 5238 B11R1.192 C=C=Cc1ccc(c(c1)O)F 271570a_100015277604_100000686035 [1,1,0,0,0,0|1,0,0]=3 5239 B11R1.192 C=C=Cc1ccc(c(c1)O)N 271570a_100015277604_100000739049 [1,1,0,0,0,0|1,0,0]=3 5240 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,1,0,0,0,0|0,0,0]=2 5241 B11R1.192 C=C=Cc1ccc(c(n1)Br)O 271570a_100015277604_100000725334 [1,1,0,0,0,0|2,0,0]=4 5242 B11R1.192 C=C=Cc1ccc(c(n1)C)Br 271570a_100015277604_100012360386 [1,1,0,0,0,0|2,0,0]=4 5243 B11R1.192 C=C=Cc1ccc(c(n1)C)C 271570a_100015277604_100000103781 [1,1,0,0,0,0|2,0,0]=4 5244 B11R1.192 C=C=Cc1ccc(c(n1)C)F 271570a_100015277604_100009814307 [1,1,0,0,0,0|2,0,0]=4 5245 B11R1.192 C=C=Cc1ccc(c(n1)C)N 271570a_100015277604_100000760127 [1,1,0,0,0,0|2,0,0]=4 5246 B11R1.192 C=C=Cc1ccc(c(n1)C)O 271570a_100015277604_100010233687 [1,1,0,0,0,0|1,0,0]=3 5247 B11R1.192 C=C=Cc1ccc(c(n1)Cl)O 271570a_100015277604_100000721234 [1,1,0,0,0,0|2,0,0]=4 5248 B11R1.192 C=C=Cc1ccc(c(n1)F)O 271570a_100015277604_100009819667 [1,1,0,0,0,0|2,0,0]=4 5249 B11R1.192 C=C=Cc1ccc(c(n1)N)O 271570a_100015277604_100000685527 [1,1,0,0,0,0|2,0,0]=4 5250 B11R1.192 C=C=Cc1ccc(c(n1)O)F 271570a_100015277604_100010729010 [1,1,0,0,0,0|2,0,0]=4 5251 B11R1.192 C=C=Cc1ccc(c(n1)O)N 271570a_100015277604_100000718904 [1,1,0,0,0,0|2,0,0]=4 5252 B11R1.192 C=C=Cc1cnc(c(c1)C)Br 271570a_100015277604_100009816107 [1,1,0,0,0,0|2,0,0]=4 5253 B11R1.192 C=C=Cc1cnc(c(c1)C)C 271570a_100015277604_100000697892 [1,1,0,0,0,0|2,0,0]=4 5254 B11R1.192 C=C=Cc1cnc(c(c1)C)Cl 271570a_100015277604_100009922867 [1,1,0,0,0,0|2,0,0]=4 5255 B11R1.192 C=C=Cc1cnc(c(c1)C)F 271570a_100015277604_100000709442 [1,1,0,0,0,0|2,0,0]=4 5256 B11R1.192 C=C=Cc1cnc(c(c1)C)N 271570a_100015277604_100000186686 [1,1,0,0,0,0|2,0,0]=4 5257 B11R1.192 C=C=Cc1cnc(c(c1)C)O 271570a_100015277604_100000685391 [1,1,0,0,0,0|1,0,0]=3 5258 B11R1.192 C=C=Cc1cnc(c(c1)Cl)O 271570a_100015277604_100010238531 [1,1,0,0,0,0|2,0,0]=4 5259 B11R1.192 C=C=Cc1cnc(c(c1)N)O 271570a_100015277604_100000743729 [1,1,0,0,0,0|2,0,0]=4 5260 B11R1.192 C=C=Cc1cnc(c(c1)O)C 271570a_100015277604_100009864810 [1,1,0,0,0,0|2,0,0]=4 5261 B11R1.192 C=C=Cc1cnc(c(c1)O)F 271570a_100015277604_100009819871 [1,1,0,0,0,0|2,0,0]=4 5262 B11R1.192 C=C=Cc1cnc(c(c1)O)N 271570a_100015277604_100009819042 [1,1,0,0,0,0|2,0,0]=4 5263 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [1,1,0,0,0,0|1,0,1]=4 5264 B11R1.192 CC=Cc1cc(c(cn1)Br)C 271570a_100016259895_100012356354 [1,1,0,0,0,0|2,0,0]=4 5265 B11R1.192 CC=Cc1cc(c(cn1)C)C 271570a_100016259895_100009850809 [1,1,0,0,0,0|2,0,0]=4 5266 B11R1.192 CC=Cc1cc(c(cn1)C)O 271570a_100016259895_100000704368 [1,1,0,0,0,0|2,0,0]=4 5267 B11R1.192 CC=Cc1cc(c(cn1)F)C 271570a_100016259895_100009818257 [1,1,0,0,0,0|2,0,0]=4 5268 B11R1.192 CC=Cc1cc(c(cn1)F)O 271570a_100016259895_100009854642 [1,1,0,0,0,0|2,0,0]=4 5269 B11R1.192 CC=Cc1cc(c(cn1)N)C 271570a_100016259895_100000765520 [1,1,0,0,0,0|2,0,0]=4 5270 B11R1.192 CC=Cc1cc(c(cn1)O)C 271570a_100016259895_100000692680 [1,1,0,0,0,0|1,0,0]=3 5271 B11R1.192 CC=Cc1cc(c(cn1)O)N 271570a_100016259895_100009819941 [1,1,0,0,0,0|2,0,0]=4 5272 B11R1.192 CC=Cc1ccc(=O)n(c1)C 271570a_100016259895_100011245003 [1,1,0,0,0,0|1,0,1]=4 5273 B11R1.192 CC=Cc1ccc(c(c1)Br)Br 271570a_100016259895_100012356285 [1,1,0,0,0,0|2,0,0]=4 5274 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [1,1,0,0,0,0|2,0,0]=4 5275 B11R1.192 CC=Cc1ccc(c(c1)Br)Cl 271570a_100016259895_100012353702 [1,1,0,0,0,0|2,0,0]=4 5276 B11R1.192 CC=Cc1ccc(c(c1)Br)F 271570a_100016259895_100012047266 [1,1,0,0,0,0|2,0,0]=4 5277 B11R1.192 CC=Cc1ccc(c(c1)Br)N 271570a_100016259895_100000750455 [1,1,0,0,0,0|2,0,0]=4 5278 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,1,0,0,0,0|1,0,0]=3 5279 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [1,1,0,0,0,0|1,0,0]=3 5280 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [1,1,0,0,0,0|1,0,0]=3 5281 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [1,1,0,0,0,0|1,0,0]=3 5282 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [1,1,0,0,0,0|1,0,0]=3 5283 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [1,1,0,0,0,0|1,0,0]=3 5284 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,1,0,0,0,0|0,0,0]=2 5285 B11R1.192 CC=Cc1ccc(c(c1)Cl)Br 271570a_100016259895_100012047281 [1,1,0,0,0,0|2,0,0]=4 5286 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [1,1,0,0,0,0|2,0,0]=4 5287 B11R1.192 CC=Cc1ccc(c(c1)Cl)Cl 271570a_100016259895_100011214914 [1,1,0,0,0,0|2,0,0]=4 5288 B11R1.192 CC=Cc1ccc(c(c1)Cl)F 271570a_100016259895_100011215976 [1,1,0,0,0,0|2,0,0]=4 5289 B11R1.192 CC=Cc1ccc(c(c1)Cl)N 271570a_100016259895_100011218065 [1,1,0,0,0,0|2,0,0]=4 5290 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,1,0,0,0,0|1,0,0]=3 5291 B11R1.192 CC=Cc1ccc(c(c1)F)Br 271570a_100016259895_100000685389 [1,1,0,0,0,0|2,0,0]=4 5292 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [1,1,0,0,0,0|2,0,0]=4 5293 B11R1.192 CC=Cc1ccc(c(c1)F)Cl 271570a_100016259895_100011216805 [1,1,0,0,0,0|2,0,0]=4 5294 B11R1.192 CC=Cc1ccc(c(c1)F)F 271570a_100016259895_100000750028 [1,1,0,0,0,0|2,0,0]=4 5295 B11R1.192 CC=Cc1ccc(c(c1)F)N 271570a_100016259895_100011215594 [1,1,0,0,0,0|2,0,0]=4 5296 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,1,0,0,0,0|1,0,0]=3 5297 B11R1.192 CC=Cc1ccc(c(c1)N)Br 271570a_100016259895_100000750456 [1,1,0,0,0,0|2,0,0]=4 5298 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [1,1,0,0,0,0|2,0,0]=4 5299 B11R1.192 CC=Cc1ccc(c(c1)N)Cl 271570a_100016259895_200000761891 [1,1,0,0,0,0|2,0,0]=4 5300 B11R1.192 CC=Cc1ccc(c(c1)N)F 271570a_100016259895_100000740924 [1,1,0,0,0,0|2,0,0]=4 5301 B11R1.192 CC=Cc1ccc(c(c1)N)N 271570a_100016259895_100000741789 [1,1,0,0,0,0|2,0,0]=4 5302 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,1,0,0,0,0|1,0,0]=3 5303 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [1,1,0,0,0,0|1,0,0]=3 5304 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,1,0,0,0,0|1,0,0]=3 5305 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [1,1,0,0,0,0|1,0,0]=3 5306 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [1,1,0,0,0,0|1,0,0]=3 5307 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [1,1,0,0,0,0|1,0,0]=3 5308 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,1,0,0,0,0|0,0,0]=2 5309 B11R1.192 CC=Cc1ccc(c(n1)Br)O 271570a_100016259895_100000725334 [1,1,0,0,0,0|2,0,0]=4 5310 B11R1.192 CC=Cc1ccc(c(n1)C)Br 271570a_100016259895_100012360386 [1,1,0,0,0,0|2,0,0]=4 5311 B11R1.192 CC=Cc1ccc(c(n1)C)C 271570a_100016259895_100000103781 [1,1,0,0,0,0|2,0,0]=4 5312 B11R1.192 CC=Cc1ccc(c(n1)C)F 271570a_100016259895_100009814307 [1,1,0,0,0,0|2,0,0]=4 5313 B11R1.192 CC=Cc1ccc(c(n1)C)N 271570a_100016259895_100000760127 [1,1,0,0,0,0|2,0,0]=4 5314 B11R1.192 CC=Cc1ccc(c(n1)C)O 271570a_100016259895_100010233687 [1,1,0,0,0,0|1,0,0]=3 5315 B11R1.192 CC=Cc1ccc(c(n1)Cl)O 271570a_100016259895_100000721234 [1,1,0,0,0,0|2,0,0]=4 5316 B11R1.192 CC=Cc1ccc(c(n1)F)O 271570a_100016259895_100009819667 [1,1,0,0,0,0|2,0,0]=4 5317 B11R1.192 CC=Cc1ccc(c(n1)N)O 271570a_100016259895_100000685527 [1,1,0,0,0,0|2,0,0]=4 5318 B11R1.192 CC=Cc1ccc(c(n1)O)F 271570a_100016259895_100010729010 [1,1,0,0,0,0|2,0,0]=4 5319 B11R1.192 CC=Cc1ccc(c(n1)O)N 271570a_100016259895_100000718904 [1,1,0,0,0,0|2,0,0]=4 5320 B11R1.192 CC=Cc1cnc(c(c1)C)Br 271570a_100016259895_100009816107 [1,1,0,0,0,0|2,0,0]=4 5321 B11R1.192 CC=Cc1cnc(c(c1)C)C 271570a_100016259895_100000697892 [1,1,0,0,0,0|2,0,0]=4 5322 B11R1.192 CC=Cc1cnc(c(c1)C)Cl 271570a_100016259895_100009922867 [1,1,0,0,0,0|2,0,0]=4 5323 B11R1.192 CC=Cc1cnc(c(c1)C)F 271570a_100016259895_100000709442 [1,1,0,0,0,0|2,0,0]=4 5324 B11R1.192 CC=Cc1cnc(c(c1)C)N 271570a_100016259895_100000186686 [1,1,0,0,0,0|2,0,0]=4 5325 B11R1.192 CC=Cc1cnc(c(c1)C)O 271570a_100016259895_100000685391 [1,1,0,0,0,0|1,0,0]=3 5326 B11R1.192 CC=Cc1cnc(c(c1)Cl)O 271570a_100016259895_100010238531 [1,1,0,0,0,0|2,0,0]=4 5327 B11R1.192 CC=Cc1cnc(c(c1)N)O 271570a_100016259895_100000743729 [1,1,0,0,0,0|2,0,0]=4 5328 B11R1.192 CC=Cc1cnc(c(c1)O)C 271570a_100016259895_100009864810 [1,1,0,0,0,0|2,0,0]=4 5329 B11R1.192 CC=Cc1cnc(c(c1)O)F 271570a_100016259895_100009819871 [1,1,0,0,0,0|2,0,0]=4 5330 B11R1.192 CC=Cc1cnc(c(c1)O)N 271570a_100016259895_100009819042 [1,1,0,0,0,0|2,0,0]=4 5331 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [1,1,0,0,0,0|0,0,2]=4 5332 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [1,1,0,0,0,0|0,0,2]=4 5333 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [1,1,0,0,0,0|0,0,2]=4 5334 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,1,0,0,0,0|0,0,2]=4 5335 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,1,0,0,0,0|0,0,2]=4 5336 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [1,1,0,0,0,0|0,0,2]=4 5337 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,1,0,0,0,0|0,0,2]=4 5338 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|0,0,2]=4 5339 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,1,0,0,0,0|0,0,2]=4 5340 B11R1.192 Cc1cc(ccc1O)NCF 34a_100011218179_100015361967 [1,1,0,0,0,0|1,0,1]=4 5341 B11R1.192 Cc1cc(ccc1O)NCF 7a_100011218179_100015361967 [1,1,0,0,0,0|1,0,1]=4 5342 B11R1.192 Cc1cc(ccc1O)SCF 62a_100015361967_100000186361 [1,1,0,0,0,0|1,0,1]=4 5343 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,1,0,0,0,0|1,0,1]=4 5344 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,1,0,0,0,0|1,0,1]=4 5345 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|0,0,2]=4 5346 B11R1.278 C=Cc1cc[n+](c(c1C)C)[O-] 271570a_100011290941_100000083769 [1,1,0,0,0,0|1,0,1]=4 5347 B11R1.278 C=Cc1ccc(c(c1C)C)Br 271570a_100011290941_200010185626 [1,1,0,0,0,0|1,0,0]=3 5348 B11R1.278 C=Cc1ccc(c(c1C)C)F 271570a_100011290941_100009816033 [1,1,0,0,0,0|1,0,0]=3 5349 B11R1.278 C=Cc1ccc(c(c1C)C)N 271570a_100011290941_100009816967 [1,1,0,0,0,0|1,0,0]=3 5350 B11R1.278 C=Cc1ccc(c(c1C)C)O 271570a_100011290941_100012353674 [1,1,0,0,0,0|0,0,0]=2 5351 B11R1.278 C=Cc1ccc(c(c1C)Cl)Br 271570a_100011290941_200010212245 [1,1,0,0,0,0|2,0,0]=4 5352 B11R1.278 C=Cc1ccc(c(c1C)F)Br 271570a_100011290941_100010208201 [1,1,0,0,0,0|2,0,0]=4 5353 B11R1.278 C=Cc1ccc(c(c1C)F)F 271570a_100011290941_100009815991 [1,1,0,0,0,0|2,0,0]=4 5354 B11R1.278 C=Cc1ccc(c(c1C)F)N 271570a_100011290941_100000722916 [1,1,0,0,0,0|2,0,0]=4 5355 B11R1.278 C=Cc1ccc(c(c1C)N)C 271570a_100011290941_200010074581 [1,1,0,0,0,0|2,0,0]=4 5356 B11R1.278 C=Cc1ccc(c(c1C)N)F 271570a_100011290941_100010588651 [1,1,0,0,0,0|2,0,0]=4 5357 B11R1.278 C=Cc1ccc(c(c1C)N)N 271570a_100011290941_100010009725 [1,1,0,0,0,0|2,0,0]=4 5358 B11R1.278 C=Cc1ccc(c(c1C)N)O 271570a_100011290941_100013039247 [1,1,0,0,0,0|1,0,0]=3 5359 B11R1.278 C=Cc1ccc(c(c1Cl)C)Br 271570a_100011290941_100055076181 [1,1,0,0,0,0|1,0,0]=3 5360 B11R1.278 C=Cc1ccc(c(c1Cl)C)Cl 271570a_100011290941_100010730154 [1,1,0,0,0,0|1,0,0]=3 5361 B11R1.278 C=Cc1ccc(c(c1Cl)Cl)Br 271570a_100011290941_200012356690 [1,1,0,0,0,0|2,0,0]=4 5362 B11R1.278 C=Cc1ccc(c(c1F)Br)F 271570a_100011290941_100010167943 [1,1,0,0,0,0|2,0,0]=4 5363 B11R1.278 C=Cc1ccc(c(c1F)Br)N 271570a_100011290941_100015781493 [1,1,0,0,0,0|2,0,0]=4 5364 B11R1.278 C=Cc1ccc(c(c1F)C)C 271570a_100011290941_200015555822 [1,1,0,0,0,0|1,0,0]=3 5365 B11R1.278 C=Cc1ccc(c(c1F)C)F 271570a_100011290941_100009815987 [1,1,0,0,0,0|1,0,0]=3 5366 B11R1.278 C=Cc1ccc(c(c1F)C)N 271570a_100011290941_100010208198 [1,1,0,0,0,0|1,0,0]=3 5367 B11R1.278 C=Cc1ccc(c(c1F)C)O 271570a_100011290941_100010390934 [1,1,0,0,0,0|0,0,0]=2 5368 B11R1.278 C=Cc1ccc(c(c1F)Cl)Br 271570a_100011290941_100010212236 [1,1,0,0,0,0|2,0,0]=4 5369 B11R1.278 C=Cc1ccc(c(c1F)Cl)F 271570a_100011290941_200000038702 [1,1,0,0,0,0|2,0,0]=4 5370 B11R1.278 C=Cc1ccc(c(c1F)F)Br 271570a_100011290941_100010212264 [1,1,0,0,0,0|2,0,0]=4 5371 B11R1.278 C=Cc1ccc(c(c1F)F)C 271570a_100011290941_100012766498 [1,1,0,0,0,0|2,0,0]=4 5372 B11R1.278 C=Cc1ccc(c(c1F)F)F 271570a_100011290941_100000750562 [1,1,0,0,0,0|2,0,0]=4 5373 B11R1.278 C=Cc1ccc(c(c1F)F)N 271570a_100011290941_100010200256 [1,1,0,0,0,0|2,0,0]=4 5374 B11R1.278 C=Cc1ccc(c(c1F)F)O 271570a_100011290941_100011830415 [1,1,0,0,0,0|1,0,0]=3 5375 B11R1.278 C=Cc1ccc(c(c1F)N)F 271570a_100011290941_100025793129 [1,1,0,0,0,0|2,0,0]=4 5376 B11R1.278 C=Cc1ccc(c(c1F)N)N 271570a_100011290941_100009814308 [1,1,0,0,0,0|2,0,0]=4 5377 B11R1.278 C=Cc1ccc(c(c1F)O)Br 271570a_100011290941_200010782288 [1,1,0,0,0,0|1,0,0]=3 5378 B11R1.278 C=Cc1ccc(c(c1F)O)F 271570a_100011290941_100010167067 [1,1,0,0,0,0|1,0,0]=3 5379 B11R1.278 C=Cc1ccc(c(c1N)C)F 271570a_100011290941_100011009917 [1,1,0,0,0,0|1,0,0]=3 5380 B11R1.278 C=Cc1ccc(c(c1N)F)F 271570a_100011290941_100010008850 [1,1,0,0,0,0|2,0,0]=4 5381 B11R1.278 C=Cc1ccc(c(c1N)N)F 271570a_100011290941_100011102919 [1,1,0,0,0,0|2,0,0]=4 5382 B11R1.278 C=Cc1ccc(c(c1N)O)Br 271570a_100011290941_100020748643 [1,1,0,0,0,0|1,0,0]=3 5383 B11R1.278 C=Cc1ccc(c(c1O)C)F 271570a_100011290941_200010391124 [1,1,0,0,0,0|1,0,0]=3 5384 B11R1.278 C=Cc1ccc(c(c1O)F)C 271570a_100011290941_100000722096 [1,1,0,0,0,0|2,0,0]=4 5385 B11R1.278 C=Cc1ccc(c(c1O)F)F 271570a_100011290941_100010243909 [1,1,0,0,0,0|2,0,0]=4 5386 B11R1.278 C=Cc1cnc(c(c1C)C)N 271570a_100011290941_100009813837 [1,1,0,0,0,0|2,0,0]=4 5387 B11R1.278 C=Cc1cnc(c(c1C)C)O 271570a_100011290941_200011099879 [1,1,0,0,0,0|1,0,0]=3 5388 B11R1.278 CNc1ccc(c(c1C)C)O 34a_200011216674_200000210301 [1,1,0,0,0,0|1,0,1]=4 5389 B11R1.278 CNc1ccc(c(c1C)C)O 7a_200011216674_200000210301 [1,1,0,0,0,0|1,0,1]=4 5390 B11R1.278 CNc1ccc(c(c1F)C)O 34a_200000126710_200000210301 [1,1,0,0,0,0|1,0,1]=4 5391 B11R1.278 CNc1ccc(c(c1F)C)O 7a_200000126710_200000210301 [1,1,0,0,0,0|1,0,1]=4 5392 B11R1.278 COc1ccc(c(c1C)C)O 271570a_203496583355_100000049725 [1,1,0,0,0,0|1,0,1]=4 5393 B11R1.278 CSc1ccc(c(c1C)C)O 62a_100012353674_200000210301 [1,1,0,0,0,0|1,0,1]=4 5394 B11R1.278 CSc1ccc(c(c1C)C)O 62a_200000210301_100012353674 [1,1,0,0,0,0|1,0,1]=4 5395 B11R1.278 CSc1ccc(c(c1F)C)O 271570a_203496583355_202125771832 [1,1,0,0,0,0|1,0,1]=4 5396 B11R1.278 CSc1ccc(c(c1F)C)O 62a_100010390934_200000210301 [1,1,0,0,0,0|1,0,1]=4 5397 B11R1.278 CSc1ccc(c(c1F)C)O 62a_200000210301_100010390934 [1,1,0,0,0,0|1,0,1]=4 5398 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 34a_200011216674_200025704644 [1,1,0,0,0,0|1,0,1]=4 5399 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 7a_200011216674_200025704644 [1,1,0,0,0,0|1,0,1]=4 5400 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_100012353674_200025704644 [1,1,0,0,0,0|1,0,1]=4 5401 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_200025704644_100012353674 [1,1,0,0,0,0|1,0,1]=4 5402 B11R1.278 Cc1c(ccc(c1F)C#N)O 271570a_203496583355_100015905921 [1,1,0,0,0,0|1,0,1]=4 5403 B11R1.278 Cc1c(ccc(c1F)C=O)O 271570a_203496583355_100015546853 [1,1,0,0,0,0|1,0,0]=3 5404 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 34a_200000126710_200025704644 [1,1,0,0,0,0|1,0,1]=4 5405 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 7a_200000126710_200025704644 [1,1,0,0,0,0|1,0,1]=4 5406 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_100010390934_200025704644 [1,1,0,0,0,0|1,0,1]=4 5407 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_200025704644_100010390934 [1,1,0,0,0,0|1,0,1]=4 5408 B11R1.278 Cc1c(ccc(c1O)C=O)F 271570a_203496583355_100009872231 [1,1,0,0,0,0|2,0,0]=4 5409 B11R1.278 O=Cc1ccc(c(c1F)F)O 271570a_203496583355_100010209662 [1,1,0,0,0,0|2,0,0]=4 5410 B11R1.278 O=Cc1ccc(c(c1F)O)F 271570a_203496583355_100000050342 [1,1,0,0,0,0|2,0,0]=4 5411 B11R1.278 O=Cc1ccc(c(c1O)F)O 271570a_203496583355_100010762540 [1,1,0,0,0,0|2,0,0]=4 5412 B11R1.279 C=Cc1cc(c(cn1)C#N)C 271570a_100011290941_100012183107 [1,1,0,0,0,0|2,0,0]=4 5413 B11R1.279 C=Cc1cc(c(cn1)C=O)C 271570a_100011290941_100000085382 [1,1,0,0,0,0|1,0,1]=4 5414 B11R1.279 C=Cc1cc(c(cn1)CO)C 271570a_100011290941_100010277336 [1,1,0,0,0,0|1,0,0]=3 5415 B11R1.279 C=Cc1cc(c(cn1)CO)N 271570a_100011290941_100009830438 [1,1,0,0,0,0|2,0,0]=4 5416 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [1,1,0,0,0,0|2,0,0]=4 5417 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [1,1,0,0,0,0|1,0,0]=3 5418 B11R1.279 C=Cc1cc(c(nn1)OC)C 271570a_100011290941_100010272851 [1,1,0,0,0,0|2,0,0]=4 5419 B11R1.279 C=Cc1ccc(c(c1)Br)C#N 271570a_100011290941_100012349582 [1,1,0,0,0,0|2,0,0]=4 5420 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [1,1,0,0,0,0|1,0,1]=4 5421 B11R1.279 C=Cc1ccc(c(c1)Br)CO 271570a_100011290941_100010240206 [1,1,0,0,0,0|1,0,0]=3 5422 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [1,1,0,0,0,0|1,0,0]=3 5423 B11R1.279 C=Cc1ccc(c(c1)C)C#N 271570a_100011290941_100000687762 [1,1,0,0,0,0|1,0,0]=3 5424 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,1,0,0,0,0|0,0,1]=3 5425 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [1,1,0,0,0,0|1,0,0]=3 5426 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [1,1,0,0,0,0|1,0,0]=3 5427 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,1,0,0,0,0|0,0,0]=2 5428 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [1,1,0,0,0,0|1,0,0]=3 5429 B11R1.279 C=Cc1ccc(c(c1)C)NN 271570a_100011290941_100000751375 [1,1,0,0,0,0|1,0,0]=3 5430 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,1,0,0,0,0|0,0,0]=2 5431 B11R1.279 C=Cc1ccc(c(c1)Cl)C#N 271570a_100011290941_100012349662 [1,1,0,0,0,0|2,0,0]=4 5432 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [1,1,0,0,0,0|1,0,1]=4 5433 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [1,1,0,0,0,0|1,0,0]=3 5434 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [1,1,0,0,0,0|1,1,0]=4 5435 B11R1.279 C=Cc1ccc(c(c1)F)C#N 271570a_100011290941_100000037869 [1,1,0,0,0,0|2,0,0]=4 5436 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [1,1,0,0,0,0|1,0,1]=4 5437 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,1,0,0,0,0|2,0,0]=4 5438 B11R1.279 C=Cc1ccc(c(c1)F)CN 271570a_100011290941_100000754580 [1,1,0,0,0,0|2,0,0]=4 5439 B11R1.279 C=Cc1ccc(c(c1)F)CO 271570a_100011290941_100011191541 [1,1,0,0,0,0|1,0,0]=3 5440 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [1,1,0,0,0,0|2,0,0]=4 5441 B11R1.279 C=Cc1ccc(c(c1)F)NN 271570a_100011290941_100000751572 [1,1,0,0,0,0|2,0,0]=4 5442 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [1,1,0,0,0,0|1,0,0]=3 5443 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [1,1,0,0,0,0|1,1,0]=4 5444 B11R1.279 C=Cc1ccc(c(c1)N)C#N 271570a_100011290941_100000699244 [1,1,0,0,0,0|2,0,0]=4 5445 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [1,1,0,0,0,0|1,0,1]=4 5446 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,1,0,0,0,0|2,0,0]=4 5447 B11R1.279 C=Cc1ccc(c(c1)N)CO 271570a_100011290941_100000718831 [1,1,0,0,0,0|1,0,0]=3 5448 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [1,1,0,0,0,0|2,0,0]=4 5449 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [1,1,0,0,0,0|1,0,0]=3 5450 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [1,1,0,0,0,0|1,0,0]=3 5451 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,1,0,0,0,0|0,0,1]=3 5452 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|0,0,0]=2 5453 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,1,0,0,0,0|0,0,0]=2 5454 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [1,1,0,0,0,0|2,0,0]=4 5455 B11R1.279 C=Cc1ccc(c(n1)C)C#N 271570a_100011290941_100000756285 [1,1,0,0,0,0|2,0,0]=4 5456 B11R1.279 C=Cc1ccc(c(n1)C)C=O 271570a_100011290941_100000050599 [1,1,0,0,0,0|1,0,1]=4 5457 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [1,1,0,0,0,0|1,0,0]=3 5458 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [1,1,0,0,0,0|2,0,0]=4 5459 B11R1.279 C=Cc1ccc(c(n1)F)CO 271570a_100011290941_100009870654 [1,1,0,0,0,0|2,0,0]=4 5460 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [1,1,0,0,0,0|2,0,0]=4 5461 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [1,1,0,0,0,0|2,0,0]=4 5462 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,1,0,0,0,0|2,0,0]=4 5463 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|2,0,0]=4 5464 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [1,1,0,0,0,0|2,0,0]=4 5465 B11R1.279 C=Cc1cnc(c(c1)C)C#N 271570a_100011290941_100009852605 [1,1,0,0,0,0|2,0,0]=4 5466 B11R1.279 C=Cc1cnc(c(c1)C)C=O 271570a_100011290941_100010185443 [1,1,0,0,0,0|1,0,1]=4 5467 B11R1.279 C=Cc1cnc(c(c1)C)CO 271570a_100011290941_100010116297 [1,1,0,0,0,0|1,0,0]=3 5468 B11R1.279 C=Cc1cnc(c(c1)C)NC 271570a_100011290941_100012357622 [1,1,0,0,0,0|2,0,0]=4 5469 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [1,1,0,0,0,0|1,0,0]=3 5470 B11R1.279 C=Cc1cnc(c(c1)F)CO 271570a_100011290941_100010065252 [1,1,0,0,0,0|2,0,0]=4 5471 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [1,1,0,0,0,0|2,0,0]=4 5472 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [1,1,0,0,0,0|2,0,0]=4 5473 B11R1.279 C=Cc1cnc(c(c1)O)C#N 271570a_100011290941_200013853302 [1,1,0,0,0,0|2,0,0]=4 5474 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [1,1,0,0,0,0|1,0,0]=3 5475 B11R1.279 C=Cc1ncc(c(n1)C)OC 271570a_100011290941_100010382893 [1,1,0,0,0,0|2,0,0]=4 5476 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|0,0,2]=4 5477 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,1,0,0,0,0|1,0,1]=4 5478 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,1,0,0,0,0|1,0,1]=4 5479 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,1,0,0,0,0|1,0,1]=4 5480 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,1,0,0,0,0|1,0,1]=4 5481 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|1,0,1]=4 5482 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|1,0,1]=4 5483 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,1,0,0,0,0|2,0,0]=4 5484 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,1,0,0,0,0|1,0,1]=4 5485 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,1,0,0,0,0|1,0,1]=4 5486 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,1,0,0,0,0|1,0,1]=4 5487 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,1,0,0,0,0|1,0,1]=4 5488 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,1,0,0,0,0|1,0,1]=4 5489 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,1,0,0,0,0|1,0,1]=4 5490 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|1,0,1]=4 5491 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|1,0,1]=4 5492 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 5493 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 5494 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|1,0,1]=4 5495 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|1,0,1]=4 5496 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,1,0,0,0,0|1,0,1]=4 5497 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,1,0,0,0,0|1,0,1]=4 5498 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,1,0,0,0,0|1,0,1]=4 5499 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,1,0,0,0,0|1,0,1]=4 5500 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,1,0,0,0,0|1,0,1]=4 5501 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,1,0,0,0,0|1,0,1]=4 5502 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,1,0,0,0,0|1,0,1]=4 5503 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,1,0,0,0,0|1,0,1]=4 5504 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,1,0,0,0,0|1,0,1]=4 5505 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,1,0,0,0,0|1,0,1]=4 5506 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|1,0,0]=3 5507 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|1,0,1]=4 5508 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|1,0,1]=4 5509 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|1,0,1]=4 5510 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,1,0,0,0,0|1,0,1]=4 5511 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,1,0,0,0,0|1,0,1]=4 5512 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [1,1,0,0,0,0|2,0,0]=4 5513 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [1,1,0,0,0,0|2,0,0]=4 5514 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [1,1,0,0,0,0|2,0,0]=4 5515 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [1,1,0,0,0,0|1,0,1]=4 5516 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [1,1,0,0,0,0|1,0,1]=4 5517 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|1,0,1]=4 5518 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|1,0,1]=4 5519 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,1,0,0,0,0|1,1,0]=4 5520 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,1,0,0,0,0|1,1,0]=4 5521 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,1,0,0,0,0|1,1,0]=4 5522 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,1,0,0,0,0|1,1,0]=4 5523 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,1,0,0,0,0|1,0,1]=4 5524 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [1,1,0,0,0,0|1,0,1]=4 5525 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [1,1,0,0,0,0|1,0,1]=4 5526 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 5527 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 5528 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|1,0,1]=4 5529 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|1,0,1]=4 5530 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,1,0,0,0,0|1,1,0]=4 5531 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,1,0,0,0,0|1,1,0]=4 5532 B11R1.279 N#Cc1ccc(c(c1)O)CO 271570a_203496583355_100010214422 [1,1,0,0,0,0|1,0,1]=4 5533 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,1,0,0,0,0|2,0,0]=4 5534 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,1,0,0,0,0|1,0,1]=4 5535 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|1,0,1]=4 5536 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|1,0,1]=4 5537 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|1,0,1]=4 5538 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,1,0,0,0,0|1,1,0]=4 5539 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,1,0,0,0,0|1,1,0]=4 5540 B13R1.13 C=C(C)c1cc(ccc1O)C(=O)C 271570a_100000694244_100011772453 [0,2,0,0,0,0|1,0,1]=4 5541 B13R1.13 C=C(C)c1ccc(c(c1)B(O)O)O 271570a_100000694244_200009814749 [0,2,0,0,0,0|2,0,0]=4 5542 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)C 271570a_100000694244_100012706819 [0,2,0,0,0,0|2,0,0]=4 5543 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)Cl 271570a_100000694244_100010712560 [0,2,0,0,0,0|2,0,0]=4 5544 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)F 271570a_100000694244_100000689017 [0,2,0,0,0,0|2,0,0]=4 5545 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)N 271570a_100000694244_100000695420 [0,2,0,0,0,0|2,0,0]=4 5546 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [0,2,0,0,0,0|1,0,0]=3 5547 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)O 271570a_100000694244_100000192807 [0,2,0,0,0,0|2,0,0]=4 5548 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)F 271570a_100000694244_200053017515 [0,2,0,0,0,0|2,0,0]=4 5549 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)N 271570a_100000694244_100000694223 [0,2,0,0,0,0|2,0,0]=4 5550 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)O 271570a_100000694244_100000691460 [0,2,0,0,0,0|1,0,0]=3 5551 B13R1.13 C=C(C)c1ccc(c(c1)C(C)O)F 271570a_100000694244_100011943926 [0,2,0,0,0,0|2,0,0]=4 5552 B13R1.13 C=C(C)c1ccc(c(c1)N(C)C)F 271570a_100000694244_100010288836 [0,2,0,0,0,0|2,0,0]=4 5553 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [0,2,0,0,0,0|1,0,1]=4 5554 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [0,2,0,0,0,0|1,0,1]=4 5555 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [0,2,0,0,0,0|1,0,1]=4 5556 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [0,2,0,0,0,0|1,0,1]=4 5557 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [0,2,0,0,0,0|1,0,1]=4 5558 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,2,0,0,0,0|0,0,1]=3 5559 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [0,2,0,0,0,0|1,0,1]=4 5560 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [0,2,0,0,0,0|1,0,1]=4 5561 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [0,2,0,0,0,0|1,0,1]=4 5562 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [0,2,0,0,0,0|1,0,1]=4 5563 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [0,2,0,0,0,0|1,0,1]=4 5564 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [0,2,0,0,0,0|1,0,1]=4 5565 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [0,2,0,0,0,0|1,0,1]=4 5566 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [0,2,0,0,0,0|1,0,1]=4 5567 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [0,2,0,0,0,0|1,0,1]=4 5568 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [0,2,0,0,0,0|1,0,1]=4 5569 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [0,2,0,0,0,0|1,0,1]=4 5570 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [0,2,0,0,0,0|1,0,1]=4 5571 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [0,2,0,0,0,0|1,0,1]=4 5572 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [0,2,0,0,0,0|1,0,1]=4 5573 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [0,2,0,0,0,0|1,0,1]=4 5574 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [0,2,0,0,0,0|1,0,1]=4 5575 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [0,2,0,0,0,0|1,0,1]=4 5576 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [0,2,0,0,0,0|1,0,1]=4 5577 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [0,2,0,0,0,0|1,0,1]=4 5578 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [0,2,0,0,0,0|1,0,1]=4 5579 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,2,0,0,0,0|0,0,1]=3 5580 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [0,2,0,0,0,0|1,0,1]=4 5581 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [0,2,0,0,0,0|1,0,1]=4 5582 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [0,2,0,0,0,0|1,0,1]=4 5583 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [0,2,0,0,0,0|1,0,1]=4 5584 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [0,2,0,0,0,0|1,0,1]=4 5585 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [0,2,0,0,0,0|1,0,1]=4 5586 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [0,2,0,0,0,0|1,0,1]=4 5587 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [0,2,0,0,0,0|1,0,1]=4 5588 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [0,2,0,0,0,0|1,0,1]=4 5589 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [0,2,0,0,0,0|1,0,1]=4 5590 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [0,2,0,0,0,0|1,0,1]=4 5591 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [0,2,0,0,0,0|1,0,1]=4 5592 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [0,2,0,0,0,0|1,0,1]=4 5593 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,2,0,0,0,0|0,0,1]=3 5594 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [0,2,0,0,0,0|1,0,1]=4 5595 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [0,2,0,0,0,0|1,0,1]=4 5596 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [0,2,0,0,0,0|1,0,1]=4 5597 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [0,2,0,0,0,0|1,0,1]=4 5598 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [0,2,0,0,0,0|1,0,1]=4 5599 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [0,2,0,0,0,0|1,0,1]=4 5600 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [0,2,0,0,0,0|1,0,1]=4 5601 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [0,2,0,0,0,0|1,0,1]=4 5602 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [0,2,0,0,0,0|1,0,1]=4 5603 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [0,2,0,0,0,0|1,0,1]=4 5604 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [0,2,0,0,0,0|1,0,1]=4 5605 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [0,2,0,0,0,0|1,0,1]=4 5606 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [0,2,0,0,0,0|0,1,1]=4 5607 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [0,2,0,0,0,0|0,1,1]=4 5608 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [0,2,0,0,0,0|0,1,1]=4 5609 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [0,2,0,0,0,0|0,1,1]=4 5610 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [0,2,0,0,0,0|1,0,1]=4 5611 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [0,2,0,0,0,0|1,0,1]=4 5612 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [0,2,0,0,0,0|1,0,1]=4 5613 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [0,2,0,0,0,0|1,0,1]=4 5614 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [0,2,0,0,0,0|1,0,1]=4 5615 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [0,2,0,0,0,0|1,0,1]=4 5616 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [0,2,0,0,0,0|1,0,1]=4 5617 B13R1.49 COc1cc(ccc1N)C(=O)NN 34a_200000073589_200000210301 [0,2,0,0,0,0|2,0,0]=4 5618 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,2,0,0,0,0|0,0,1]=3 5619 B13R1.49 [13CH3]Oc1cc(ccc1N)C(=O)NN 34a_200000073589_200025704644 [0,2,0,0,0,0|2,0,0]=4 5620 B13R1.50 COc1cc(ccc1O)C(F)(F)F 271570a_203496583355_100010150383 [0,2,0,0,0,0|1,0,1]=4 5621 B13R1.298 C=C(C)c1cc(c(c(c1)C#N)O)C 271570a_100000694244_100010195408 [0,2,0,0,0,0|2,0,0]=4 5622 B13R1.298 C=C(C)c1cc(c(c(c1)C=O)O)F 271570a_100000694244_100011217654 [0,2,0,0,0,0|2,0,0]=4 5623 B13R1.298 C=C(C)c1cc(c(c(c1)CC)N)C 271570a_100000694244_200000186424 [0,2,0,0,0,0|2,0,0]=4 5624 B13R1.298 C=C(C)c1cc(c(c(c1)CC)O)C 271570a_100000694244_100010659108 [0,2,0,0,0,0|1,0,0]=3 5625 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)C 271570a_100000694244_100010271686 [0,2,0,0,0,0|1,0,0]=3 5626 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)F 271570a_100000694244_100011218012 [0,2,0,0,0,0|1,0,0]=3 5627 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)O 271570a_100000694244_200015524394 [0,2,0,0,0,0|1,0,0]=3 5628 B13R1.298 C=C(C)c1cc(c(c(c1)OC)N)C 271570a_100000694244_100000741850 [0,2,0,0,0,0|1,0,0]=3 5629 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)C 1458a_100020639751_200000210301 [0,2,0,0,0,0|1,0,1]=4 5630 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)[13CH3] 1458a_100020639751_200025704644 [0,2,0,0,0,0|1,0,1]=4 5631 B13R1.298 COc1cc(cc(c1F)F)C(=O)C 1458a_100000081826_200000210301 [0,2,0,0,0,0|1,0,1]=4 5632 B13R1.298 COc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000081826_200025704644 [0,2,0,0,0,0|1,0,1]=4 5633 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [0,2,0,0,0,0|0,0,1]=3 5634 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [0,2,0,0,0,0|0,0,1]=3 5635 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [0,2,0,0,0,0|0,0,1]=3 5636 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [0,2,0,0,0,0|0,0,1]=3 5637 B13R1.354 C=C(C)c1cc(c(cn1)N)OCC 271570a_100000694244_100015764953 [0,2,0,0,0,0|2,0,0]=4 5638 B13R1.354 C=C(C)c1ccc(c(c1)CNC)C 271570a_100000694244_106744473289 [0,2,0,0,0,0|2,0,0]=4 5639 B13R1.354 C=C(C)c1ccc(c(c1)CNC)F 271570a_100000694244_100000748472 [0,2,0,0,0,0|2,0,0]=4 5640 B13R1.354 C=C(C)c1ccc(c(c1)CNC)O 271570a_100000694244_100011602694 [0,2,0,0,0,0|1,0,0]=3 5641 B13R1.354 C=C(C)c1ccc(c(c1)COC)Br 271570a_100000694244_202125822959 [0,2,0,0,0,0|1,0,0]=3 5642 B13R1.354 C=C(C)c1ccc(c(c1)COC)F 271570a_100000694244_100010140362 [0,2,0,0,0,0|1,0,0]=3 5643 B13R1.354 C=C(C)c1ccc(c(c1)NCC)N 271570a_100000694244_100000696630 [0,2,0,0,0,0|2,0,0]=4 5644 B13R1.354 C=C(C)c1ccc(c(c1)OCC)C 271570a_100000694244_100012361169 [0,2,0,0,0,0|1,0,0]=3 5645 B13R1.354 C=C(C)c1ccc(c(c1)OCC)F 271570a_100000694244_200012344967 [0,2,0,0,0,0|1,0,0]=3 5646 B13R1.354 C=C(C)c1ccc(c(c1)OCC)N 271570a_100000694244_100000688918 [0,2,0,0,0,0|1,0,0]=3 5647 B13R1.354 C=C(C)c1cnc(c(c1)OCC)F 271570a_100000694244_100010732568 [0,2,0,0,0,0|2,0,0]=4 5648 B13R1.354 CC(=O)c1ccc(c(c1)CS[13CH3])O 62a_100000010293_200025704644 [0,2,0,0,0,0|0,1,1]=4 5649 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 34a_100000084092_100015361967 [0,2,0,0,0,0|1,0,1]=4 5650 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 7a_100000084092_100015361967 [0,2,0,0,0,0|1,0,1]=4 5651 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 34a_100000117923_100015361967 [0,2,0,0,0,0|1,0,1]=4 5652 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 7a_100000117923_100015361967 [0,2,0,0,0,0|1,0,1]=4 5653 B13R1.354 CC(=O)c1ccc(c(c1)SCF)O 62a_100011772453_100015361967 [0,2,0,0,0,0|0,1,1]=4 5654 B13R1.354 CC=Cc1cc(ccc1O)C(=O)C 271570a_100016259895_100011772453 [0,2,0,0,0,0|1,0,1]=4 5655 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210202 [0,2,0,0,0,0|2,0,0]=4 5656 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210202 [0,2,0,0,0,0|2,0,0]=4 5657 B13R1.354 CCOc1cc(ccc1C)C(=O)C 1458a_100000238212_200000210301 [0,2,0,0,0,0|1,0,1]=4 5658 B13R1.354 CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210202 [0,2,0,0,0,0|1,0,1]=4 5659 B13R1.354 CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210202 [0,2,0,0,0,0|1,0,1]=4 5660 B13R1.354 CCOc1cc(ccc1C)C(=O)[13CH3] 1458a_100000238212_200025704644 [0,2,0,0,0,0|1,0,1]=4 5661 B13R1.354 CCOc1cc(ccc1Cl)C(=O)C 1458a_200010207389_200000210301 [0,2,0,0,0,0|1,0,1]=4 5662 B13R1.354 CCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010207389_200025704644 [0,2,0,0,0,0|1,0,1]=4 5663 B13R1.354 CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210202 [0,2,0,0,0,0|1,0,1]=4 5664 B13R1.354 CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210202 [0,2,0,0,0,0|1,0,1]=4 5665 B13R1.354 CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210202 [0,2,0,0,0,0|2,0,0]=4 5666 B13R1.354 CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210202 [0,2,0,0,0,0|2,0,0]=4 5667 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [0,2,0,0,0,0|0,0,1]=3 5668 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [0,2,0,0,0,0|0,0,1]=3 5669 B13R1.354 CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210202 [0,2,0,0,0,0|0,1,1]=4 5670 B13R1.354 CNCc1cc(ccc1O)C(=O)C 34a_100102657272_100000010293 [0,2,0,0,0,0|1,0,1]=4 5671 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [0,2,0,0,0,0|0,0,1]=3 5672 B13R1.354 COCc1cc(ccc1O)[N+](=O)[O-] 34a_100138415774_200009813932 [0,2,0,0,0,0|2,0,0]=4 5673 B13R1.354 CSCc1cc(ccc1O)C(=O)C 62a_100000010293_200000210301 [0,2,0,0,0,0|0,1,1]=4 5674 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 34a_100012344895_100015361967 [0,2,0,0,0,0|2,0,0]=4 5675 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 7a_100012344895_100015361967 [0,2,0,0,0,0|2,0,0]=4 5676 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 34a_100011850428_100015361967 [0,2,0,0,0,0|2,0,0]=4 5677 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 7a_100011850428_100015361967 [0,2,0,0,0,0|2,0,0]=4 5678 B13R1.651 C=C(C)c1cc(c(cc1Br)Br)OC 271570a_100000694244_200014006352 [0,2,0,0,0,0|1,0,0]=3 5679 B13R1.651 C=C(C)c1cc(c(cc1C)F)OC 271570a_100000694244_100011009880 [0,2,0,0,0,0|1,0,0]=3 5680 B13R1.651 C=C(C)c1cc(c(cc1C)N)OC 271570a_100000694244_100010141321 [0,2,0,0,0,0|1,0,0]=3 5681 B13R1.651 C=C(C)c1cc(c(cc1F)Cl)OC 271570a_100000694244_100010739614 [0,2,0,0,0,0|1,0,0]=3 5682 B13R1.651 C=C(C)c1cc(c(cc1F)F)OC 271570a_100000694244_200015541288 [0,2,0,0,0,0|1,0,0]=3 5683 B13R1.651 C=C(C)c1cc(c(cc1F)N)NC 271570a_100000694244_100013631271 [0,2,0,0,0,0|2,0,0]=4 5684 B13R1.651 C=C(C)c1cc(c(cc1F)N)OC 271570a_100000694244_100012766639 [0,2,0,0,0,0|1,0,0]=3 5685 B13R1.651 C=C(C)c1cc(c(cc1F)O)C=O 271570a_100000694244_100010175118 [0,2,0,0,0,0|2,0,0]=4 5686 B13R1.651 C=C(C)c1cc(c(cc1F)O)OC 271570a_100000694244_100010189133 [0,2,0,0,0,0|0,0,0]=2 5687 B13R1.651 C=C(C)c1cc(c(cc1N)C)OC 271570a_100000694244_200010584344 [0,2,0,0,0,0|1,0,0]=3 5688 B13R1.651 C=C(C)c1cc(c(cc1N)F)OC 271570a_100000694244_100010365326 [0,2,0,0,0,0|1,0,0]=3 5689 B13R1.651 C=C(C)c1cc(c(cc1O)O)C=O 271570a_100000694244_200010132312 [0,2,0,0,0,0|2,0,0]=4 5690 B13R1.651 C=C(C)c1cc(c(nc1C)N)OC 271570a_100000694244_200010892190 [0,2,0,0,0,0|2,0,0]=4 5691 B13R1.651 C=Cc1cc(c(cc1C)O)C(=O)C 271570a_100011290941_200010233951 [0,2,0,0,0,0|1,0,0]=3 5692 B13R1.651 C=Cc1cc(c(cc1F)F)C(=O)C 271570a_100011290941_100009817148 [0,2,0,0,0,0|2,0,0]=4 5693 B13R1.651 C=Cc1cc(c(cc1F)O)C(=O)C 271570a_100011290941_100000691652 [0,2,0,0,0,0|1,0,0]=3 5694 B13R1.651 COc1cc(c(cc1C)Br)C(=O)C 1458a_100010289115_200000210301 [0,2,0,0,0,0|1,0,1]=4 5695 B13R1.651 COc1cc(c(cc1C)Br)C(=O)[13CH3] 1458a_100010289115_200025704644 [0,2,0,0,0,0|1,0,1]=4 5696 B13R1.651 COc1cc(c(cc1F)Br)C(=O)C 1458a_100010174800_200000210301 [0,2,0,0,0,0|1,0,1]=4 5697 B13R1.651 COc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010174800_200025704644 [0,2,0,0,0,0|1,0,1]=4 5698 B13R1.3091 C=C(C)c1cc(c(cn1)C#N)OC 271570a_100000694244_100009830018 [0,2,0,0,0,0|2,0,0]=4 5699 B13R1.3091 C=C(C)c1cc(c(cn1)CO)OC 271570a_100000694244_100010714672 [0,2,0,0,0,0|1,0,0]=3 5700 B13R1.3091 C=C(C)c1cc(c(nn1)OC)OC 271570a_100000694244_200000095610 [0,2,0,0,0,0|2,0,0]=4 5701 B13R1.3091 C=C(C)c1ccc(c(c1)C#N)OC 271570a_100000694244_100000188252 [0,2,0,0,0,0|2,0,0]=4 5702 B13R1.3091 C=C(C)c1ccc(c(c1)C=O)OC 271570a_100000694244_100000170026 [0,2,0,0,0,0|2,0,0]=4 5703 B13R1.3091 C=C(C)c1ccc(c(c1)CC)C=O 271570a_100000694244_100010209654 [0,2,0,0,0,0|1,0,1]=4 5704 B13R1.3091 C=C(C)c1ccc(c(c1)CC)NN 271570a_100000694244_100000700371 [0,2,0,0,0,0|2,0,0]=4 5705 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [0,2,0,0,0,0|1,0,0]=3 5706 B13R1.3091 C=C(C)c1ccc(c(c1)CN)OC 271570a_100000694244_100000690498 [0,2,0,0,0,0|2,0,0]=4 5707 B13R1.3091 C=C(C)c1ccc(c(c1)CO)CO 271570a_100000694244_100000719600 [0,2,0,0,0,0|2,0,0]=4 5708 B13R1.3091 C=C(C)c1ccc(c(c1)CO)OC 271570a_100000694244_100000204679 [0,2,0,0,0,0|2,0,0]=4 5709 B13R1.3091 C=C(C)c1ccc(c(c1)NC)C#N 271570a_100000694244_200012356631 [0,2,0,0,0,0|2,0,0]=4 5710 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C#N 271570a_100000694244_100000694671 [0,2,0,0,0,0|1,0,0]=3 5711 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C=O 271570a_100000694244_100000697075 [0,2,0,0,0,0|0,0,1]=3 5712 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [0,2,0,0,0,0|1,0,0]=3 5713 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [0,2,0,0,0,0|0,0,0]=2 5714 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,2,0,0,0,0|0,0,0]=2 5715 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [0,2,0,0,0,0|0,1,0]=3 5716 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [0,2,0,0,0,0|0,1,0]=3 5717 B13R1.3091 C=C(C)c1ccc(c(n1)OC)C#N 271570a_100000694244_100000708423 [0,2,0,0,0,0|2,0,0]=4 5718 B13R1.3091 C=C(C)c1ccc(c(n1)OC)C=O 271570a_100000694244_100009864722 [0,2,0,0,0,0|1,0,1]=4 5719 B13R1.3091 C=C(C)c1ccc(c(n1)OC)CN 271570a_100000694244_100015687481 [0,2,0,0,0,0|2,0,0]=4 5720 B13R1.3091 C=C(C)c1ccc(c(n1)OC)CO 271570a_100000694244_100010988397 [0,2,0,0,0,0|1,0,0]=3 5721 B13R1.3091 C=C(C)c1ccc(c(n1)OC)OC 271570a_100000694244_100010214848 [0,2,0,0,0,0|1,0,0]=3 5722 B13R1.3091 C=C(C)c1cnc(c(c1)OC)C#N 271570a_100000694244_100000719880 [0,2,0,0,0,0|2,0,0]=4 5723 B13R1.3091 C=C(C)c1cnc(c(c1)OC)C=O 271570a_100000694244_100010246152 [0,2,0,0,0,0|1,0,1]=4 5724 B13R1.3091 C=C(C)c1cnc(c(c1)OC)CO 271570a_100000694244_200010246159 [0,2,0,0,0,0|1,0,0]=3 5725 B13R1.3091 C=C(C)c1cnc(c(c1)OC)OC 271570a_100000694244_100010234541 [0,2,0,0,0,0|1,0,0]=3 5726 B13R1.3091 C=C(C)c1cnc(c(n1)OC)OC 271570a_100000694244_100010132954 [0,2,0,0,0,0|2,0,0]=4 5727 B13R1.3091 C=C(C)c1ncc(c(n1)OC)CO 271570a_100000694244_200011024631 [0,2,0,0,0,0|2,0,0]=4 5728 B13R1.3091 C=C(C)c1ncc(c(n1)OC)OC 271570a_100000694244_100010280452 [0,2,0,0,0,0|2,0,0]=4 5729 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,2,0,0,0,0|1,0,1]=4 5730 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)N 271570a_100011290941_100009817049 [0,2,0,0,0,0|2,0,0]=4 5731 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,2,0,0,0,0|2,0,0]=4 5732 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,2,0,0,0,0|2,0,0]=4 5733 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,2,0,0,0,0|2,0,0]=4 5734 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [0,2,0,0,0,0|1,0,1]=4 5735 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [0,2,0,0,0,0|1,0,1]=4 5736 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200000210301 [0,2,0,0,0,0|2,0,0]=4 5737 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200000210301 [0,2,0,0,0,0|2,0,0]=4 5738 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,2,0,0,0,0|2,0,0]=4 5739 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,2,0,0,0,0|0,0,1]=3 5740 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,2,0,0,0,0|0,0,1]=3 5741 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,2,0,0,0,0|0,0,2]=4 5742 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,2,0,0,0,0|0,0,2]=4 5743 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,2,0,0,0,0|2,0,0]=4 5744 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,2,0,0,0,0|2,0,0]=4 5745 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,2,0,0,0,0|0,1,1]=4 5746 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,2,0,0,0,0|1,1,0]=4 5747 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,2,0,0,0,0|0,1,1]=4 5748 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,2,0,0,0,0|1,1,0]=4 5749 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,2,0,0,0,0|2,0,0]=4 5750 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,2,0,0,0,0|0,0,1]=3 5751 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,2,0,0,0,0|0,0,1]=3 5752 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,2,0,0,0,0|0,0,1]=3 5753 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,2,0,0,0,0|0,0,1]=3 5754 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,2,0,0,0,0|0,0,1]=3 5755 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,2,0,0,0,0|0,0,1]=3 5756 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,2,0,0,0,0|0,0,2]=4 5757 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,2,0,0,0,0|0,0,2]=4 5758 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,2,0,0,0,0|2,0,0]=4 5759 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,2,0,0,0,0|2,0,0]=4 5760 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,2,0,0,0,0|2,0,0]=4 5761 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,2,0,0,0,0|2,0,0]=4 5762 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,2,0,0,0,0|0,0,1]=3 5763 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,2,0,0,0,0|0,0,1]=3 5764 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,2,0,0,0,0|2,0,0]=4 5765 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,2,0,0,0,0|2,0,0]=4 5766 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,2,0,0,0,0|0,1,1]=4 5767 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,2,0,0,0,0|0,1,1]=4 5768 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,2,0,0,0,0|0,1,1]=4 5769 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,2,0,0,0,0|0,1,1]=4 5770 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200025704644 [0,2,0,0,0,0|2,0,0]=4 5771 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200025704644 [0,2,0,0,0,0|2,0,0]=4 5772 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)Cl 271570a_100000694244_200135222481 [0,2,0,0,0,0|1,0,0]=3 5773 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)N 271570a_100000694244_100010734149 [0,2,0,0,0,0|1,0,0]=3 5774 B13R1.3230 C=C(C)c1ccc(c(c1F)SC)F 271570a_100000694244_202125771753 [0,2,0,0,0,0|1,1,0]=4 5775 B13R1.3230 COc1c(ccc(c1F)B(O)O)O 271570a_203496583355_200009815746 [0,2,0,0,0,0|2,0,0]=4 5776 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Br 1458a_100009816242_200000210301 [0,2,0,0,0,0|1,0,1]=4 5777 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116254_200000210301 [0,2,0,0,0,0|1,0,1]=4 5778 B13R1.3230 COc1c(ccc(c1F)C(=O)C)F 1458a_100000061937_200000210301 [0,2,0,0,0,0|1,0,1]=4 5779 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100009816242_200025704644 [0,2,0,0,0,0|1,0,1]=4 5780 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116254_200025704644 [0,2,0,0,0,0|1,0,1]=4 5781 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061937_200025704644 [0,2,0,0,0,0|1,0,1]=4 5782 B13R1.99 C=C(C)c1ccc(cc1OC)C=O 271570a_100000694244_100010244714 [0,2,0,0,0,0|2,0,0]=4 5783 B13R1.99 C=Cc1ccc(c(c1)CC)B(O)O 271570a_100011290941_200010732553 [0,2,0,0,0,0|1,0,0]=3 5784 B13R1.99 C=Cc1ccc(c(c1)OC)B(O)O 271570a_100011290941_100010245881 [0,2,0,0,0,0|0,0,0]=2 5785 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100011290941_100000709911 [0,2,0,0,0,0|0,0,1]=3 5786 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100011290941_100000748320 [0,2,0,0,0,0|0,0,1]=3 5787 B13R1.99 C=Cc1ccc(c(c1)OC)C(F)F 271570a_100011290941_100010146106 [0,2,0,0,0,0|1,0,0]=3 5788 B13R1.99 C=Cc1ccc(c(n1)OC)B(O)O 271570a_100011290941_100010143858 [0,2,0,0,0,0|1,0,0]=3 5789 B13R1.99 C=Cc1cnc(c(c1)OC)C(=O)C 271570a_100011290941_100010137934 [0,2,0,0,0,0|1,0,1]=4 5790 B13R1.99 COc1cc(ccc1B(O)O)SC 62a_100010245881_200000210301 [0,2,0,0,0,0|1,0,1]=4 5791 B13R1.99 COc1cc(ccc1B(O)O)S[13CH3] 62a_100010245881_200025704644 [0,2,0,0,0,0|1,0,1]=4 5792 B13R1.355 C=Cc1cc(c(cn1)CO)NCC 271570a_100011290941_100009950477 [0,2,0,0,0,0|2,0,0]=4 5793 B13R1.355 C=Cc1ccc(c(c1)CC#N)OC 271570a_100011290941_200011218486 [0,2,0,0,0,0|1,0,1]=4 5794 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [0,2,0,0,0,0|1,0,0]=3 5795 B13R1.355 C=Cc1ccc(c(c1)CNC)OC 271570a_100011290941_100000690607 [0,2,0,0,0,0|1,0,0]=3 5796 B13R1.355 C=Cc1ccc(c(c1)COC)OC 271570a_100011290941_200011493686 [0,2,0,0,0,0|0,0,0]=2 5797 B13R1.355 C=Cc1ccc(c(c1)OCC)C#N 271570a_100011290941_100013120067 [0,2,0,0,0,0|1,0,0]=3 5798 B13R1.355 C=Cc1ccc(c(c1)OCC)OC 271570a_100011290941_200010219349 [0,2,0,0,0,0|0,0,0]=2 5799 B13R1.355 C=Cc1ccc(cc1OCC)C=O 271570a_100011290941_200010381951 [0,2,0,0,0,0|2,0,0]=4 5800 B13R1.355 C=Cc1ncc(c(n1)OCC)OC 271570a_100011290941_200010280453 [0,2,0,0,0,0|2,0,0]=4 5801 B13R1.355 CC=Cc1cc(ccc1OC)C=O 271570a_100016259895_100000173361 [0,2,0,0,0,0|2,0,0]=4 5802 B13R1.355 CCOc1cc(ccc1CO)CO 34a_200010669990_100000210202 [0,2,0,0,0,0|1,0,1]=4 5803 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000181481_200000210301 [0,2,0,0,0,0|1,0,1]=4 5804 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000188611_100000210202 [0,2,0,0,0,0|1,0,1]=4 5805 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000181481_200000210301 [0,2,0,0,0,0|1,0,1]=4 5806 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000188611_100000210202 [0,2,0,0,0,0|1,0,1]=4 5807 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [0,2,0,0,0,0|0,0,2]=4 5808 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [0,2,0,0,0,0|0,0,2]=4 5809 B13R1.355 CCOc1cc(ccc1OC)CN 34a_100000740000_100000210202 [0,2,0,0,0,0|1,0,1]=4 5810 B13R1.355 CCOc1cc(ccc1OC)CN 34a_200000751567_200000210301 [0,2,0,0,0,0|1,0,1]=4 5811 B13R1.355 CCOc1cc(ccc1OC)CO 34a_100011215239_100000210202 [0,2,0,0,0,0|1,0,1]=4 5812 B13R1.355 CCOc1cc(ccc1OC)CO 34a_200011232662_200000210301 [0,2,0,0,0,0|1,0,1]=4 5813 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [0,2,0,0,0,0|1,0,1]=4 5814 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 34a_100000181481_200025704644 [0,2,0,0,0,0|1,0,1]=4 5815 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 7a_100000181481_200025704644 [0,2,0,0,0,0|1,0,1]=4 5816 B13R1.355 CCOc1cc(ccc1O[13CH3])CN 34a_200000751567_200025704644 [0,2,0,0,0,0|1,0,1]=4 5817 B13R1.355 CCOc1cc(ccc1O[13CH3])CO 34a_200011232662_200025704644 [0,2,0,0,0,0|1,0,1]=4 5818 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200000210301_200010381951 [0,2,0,0,0,0|1,1,0]=4 5819 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200010381951_200000210301 [0,2,0,0,0,0|1,1,0]=4 5820 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200010381951_200025704644 [0,2,0,0,0,0|1,1,0]=4 5821 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200025704644_200010381951 [0,2,0,0,0,0|1,1,0]=4 5822 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000173361_100000210202 [0,2,0,0,0,0|1,1,0]=4 5823 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000210202_100000173361 [0,2,0,0,0,0|1,1,0]=4 5824 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [0,2,0,0,0,0|0,0,2]=4 5825 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [0,2,0,0,0,0|0,0,2]=4 5826 B13R1.355 CNCc1cc(ccc1OC)C=O 2230a_106832991635_100000028394 [0,2,0,0,0,0|2,0,0]=4 5827 B13R1.355 CNCc1cc(ccc1OC)C=O 34a_100102657272_100000028394 [0,2,0,0,0,0|2,0,0]=4 5828 B13R1.355 CNCc1cc(ccc1OC)C=O 7a_106832991635_100000028394 [0,2,0,0,0,0|2,0,0]=4 5829 B13R1.355 COCc1cc(ccc1OC)C=O 34a_100138415774_100000028394 [0,2,0,0,0,0|1,0,0]=3 5830 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [0,2,0,0,0,0|1,0,1]=4 5831 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [0,2,0,0,0,0|1,0,1]=4 5832 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [0,2,0,0,0,0|1,0,1]=4 5833 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [0,2,0,0,0,0|1,0,1]=4 5834 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [0,2,0,0,0,0|1,0,1]=4 5835 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [0,2,0,0,0,0|1,0,1]=4 5836 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [0,2,0,0,0,0|1,0,1]=4 5837 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [0,2,0,0,0,0|1,0,1]=4 5838 B13R1.355 COc1ccc(cc1CSC)C=O 62a_100000028394_200000210301 [0,2,0,0,0,0|1,1,0]=4 5839 B13R1.355 COc1ccc(cc1CSC)C=O 62a_200000210301_100000028394 [0,2,0,0,0,0|1,1,0]=4 5840 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_100000028394_200025704644 [0,2,0,0,0,0|1,1,0]=4 5841 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_200025704644_100000028394 [0,2,0,0,0,0|1,1,0]=4 5842 B13R1.355 COc1ccc(cc1OCF)C#N 34a_100000188611_100015361967 [0,2,0,0,0,0|1,0,1]=4 5843 B13R1.355 COc1ccc(cc1OCF)C#N 7a_100000188611_100015361967 [0,2,0,0,0,0|1,0,1]=4 5844 B13R1.355 COc1ccc(cc1OCF)CN 34a_100000740000_100015361967 [0,2,0,0,0,0|1,0,1]=4 5845 B13R1.355 COc1ccc(cc1OCF)CO 34a_100011215239_100015361967 [0,2,0,0,0,0|1,0,1]=4 5846 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100000173361_100015361967 [0,2,0,0,0,0|1,1,0]=4 5847 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100015361967_100000173361 [0,2,0,0,0,0|1,1,0]=4 5848 B13R1.355 OCc1ccc(c(c1)OCF)CO 34a_200010669990_100015361967 [0,2,0,0,0,0|1,0,1]=4 5849 B13R1.386 C=C=Cc1cc(c(cn1)C#N)OC 271570a_100015277604_100009830018 [0,2,0,0,0,0|2,0,0]=4 5850 B13R1.386 C=C=Cc1cc(c(cn1)CO)OC 271570a_100015277604_100010714672 [0,2,0,0,0,0|1,0,0]=3 5851 B13R1.386 C=C=Cc1cc(c(nn1)OC)OC 271570a_100015277604_200000095610 [0,2,0,0,0,0|2,0,0]=4 5852 B13R1.386 C=C=Cc1ccc(c(c1)C#N)OC 271570a_100015277604_100000188252 [0,2,0,0,0,0|2,0,0]=4 5853 B13R1.386 C=C=Cc1ccc(c(c1)C=O)OC 271570a_100015277604_100000170026 [0,2,0,0,0,0|2,0,0]=4 5854 B13R1.386 C=C=Cc1ccc(c(c1)CC)C=O 271570a_100015277604_100010209654 [0,2,0,0,0,0|1,0,1]=4 5855 B13R1.386 C=C=Cc1ccc(c(c1)CC)NN 271570a_100015277604_100000700371 [0,2,0,0,0,0|2,0,0]=4 5856 B13R1.386 C=C=Cc1ccc(c(c1)CC)OC 271570a_100015277604_200010179862 [0,2,0,0,0,0|1,0,0]=3 5857 B13R1.386 C=C=Cc1ccc(c(c1)CN)OC 271570a_100015277604_100000690498 [0,2,0,0,0,0|2,0,0]=4 5858 B13R1.386 C=C=Cc1ccc(c(c1)CO)CO 271570a_100015277604_100000719600 [0,2,0,0,0,0|2,0,0]=4 5859 B13R1.386 C=C=Cc1ccc(c(c1)CO)OC 271570a_100015277604_100000204679 [0,2,0,0,0,0|2,0,0]=4 5860 B13R1.386 C=C=Cc1ccc(c(c1)NC)C#N 271570a_100015277604_200012356631 [0,2,0,0,0,0|2,0,0]=4 5861 B13R1.386 C=C=Cc1ccc(c(c1)OC)C#N 271570a_100015277604_100000694671 [0,2,0,0,0,0|1,0,0]=3 5862 B13R1.386 C=C=Cc1ccc(c(c1)OC)C=O 271570a_100015277604_100000697075 [0,2,0,0,0,0|0,0,1]=3 5863 B13R1.386 C=C=Cc1ccc(c(c1)OC)CC 271570a_100015277604_200010710398 [0,2,0,0,0,0|1,0,0]=3 5864 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [0,2,0,0,0,0|0,0,0]=2 5865 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [0,2,0,0,0,0|0,0,0]=2 5866 B13R1.386 C=C=Cc1ccc(c(c1)OC)SC 271570a_100015277604_200011001119 [0,2,0,0,0,0|0,1,0]=3 5867 B13R1.386 C=C=Cc1ccc(c(c1)SC)OC 271570a_100015277604_200009892704 [0,2,0,0,0,0|0,1,0]=3 5868 B13R1.386 C=C=Cc1ccc(c(n1)OC)C#N 271570a_100015277604_100000708423 [0,2,0,0,0,0|2,0,0]=4 5869 B13R1.386 C=C=Cc1ccc(c(n1)OC)C=O 271570a_100015277604_100009864722 [0,2,0,0,0,0|1,0,1]=4 5870 B13R1.386 C=C=Cc1ccc(c(n1)OC)CN 271570a_100015277604_100015687481 [0,2,0,0,0,0|2,0,0]=4 5871 B13R1.386 C=C=Cc1ccc(c(n1)OC)CO 271570a_100015277604_100010988397 [0,2,0,0,0,0|1,0,0]=3 5872 B13R1.386 C=C=Cc1ccc(c(n1)OC)OC 271570a_100015277604_100010214848 [0,2,0,0,0,0|1,0,0]=3 5873 B13R1.386 C=C=Cc1cnc(c(c1)OC)C#N 271570a_100015277604_100000719880 [0,2,0,0,0,0|2,0,0]=4 5874 B13R1.386 C=C=Cc1cnc(c(c1)OC)C=O 271570a_100015277604_100010246152 [0,2,0,0,0,0|1,0,1]=4 5875 B13R1.386 C=C=Cc1cnc(c(c1)OC)CO 271570a_100015277604_200010246159 [0,2,0,0,0,0|1,0,0]=3 5876 B13R1.386 C=C=Cc1cnc(c(c1)OC)OC 271570a_100015277604_100010234541 [0,2,0,0,0,0|1,0,0]=3 5877 B13R1.386 C=C=Cc1cnc(c(n1)OC)OC 271570a_100015277604_100010132954 [0,2,0,0,0,0|2,0,0]=4 5878 B13R1.386 C=C=Cc1ncc(c(n1)OC)CO 271570a_100015277604_200011024631 [0,2,0,0,0,0|2,0,0]=4 5879 B13R1.386 C=C=Cc1ncc(c(n1)OC)OC 271570a_100015277604_100010280452 [0,2,0,0,0,0|2,0,0]=4 5880 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,2,0,0,0,0|0,0,0]=2 5881 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,2,0,0,0,0|0,0,0]=2 5882 B13R1.386 CC=Cc1cc(c(cn1)C#N)OC 271570a_100016259895_100009830018 [0,2,0,0,0,0|2,0,0]=4 5883 B13R1.386 CC=Cc1cc(c(cn1)CO)OC 271570a_100016259895_100010714672 [0,2,0,0,0,0|1,0,0]=3 5884 B13R1.386 CC=Cc1cc(c(nn1)OC)OC 271570a_100016259895_200000095610 [0,2,0,0,0,0|2,0,0]=4 5885 B13R1.386 CC=Cc1ccc(c(c1)C#N)OC 271570a_100016259895_100000188252 [0,2,0,0,0,0|2,0,0]=4 5886 B13R1.386 CC=Cc1ccc(c(c1)C=O)OC 271570a_100016259895_100000170026 [0,2,0,0,0,0|2,0,0]=4 5887 B13R1.386 CC=Cc1ccc(c(c1)CC)C=O 271570a_100016259895_100010209654 [0,2,0,0,0,0|1,0,1]=4 5888 B13R1.386 CC=Cc1ccc(c(c1)CC)NN 271570a_100016259895_100000700371 [0,2,0,0,0,0|2,0,0]=4 5889 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [0,2,0,0,0,0|1,0,0]=3 5890 B13R1.386 CC=Cc1ccc(c(c1)CN)OC 271570a_100016259895_100000690498 [0,2,0,0,0,0|2,0,0]=4 5891 B13R1.386 CC=Cc1ccc(c(c1)CO)CO 271570a_100016259895_100000719600 [0,2,0,0,0,0|2,0,0]=4 5892 B13R1.386 CC=Cc1ccc(c(c1)CO)OC 271570a_100016259895_100000204679 [0,2,0,0,0,0|2,0,0]=4 5893 B13R1.386 CC=Cc1ccc(c(c1)NC)C#N 271570a_100016259895_200012356631 [0,2,0,0,0,0|2,0,0]=4 5894 B13R1.386 CC=Cc1ccc(c(c1)OC)C#N 271570a_100016259895_100000694671 [0,2,0,0,0,0|1,0,0]=3 5895 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [0,2,0,0,0,0|0,0,1]=3 5896 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [0,2,0,0,0,0|1,0,0]=3 5897 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [0,2,0,0,0,0|0,0,0]=2 5898 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,2,0,0,0,0|0,0,0]=2 5899 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,2,0,0,0,0|0,0,0]=2 5900 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,2,0,0,0,0|0,0,0]=2 5901 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [0,2,0,0,0,0|0,1,0]=3 5902 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [0,2,0,0,0,0|0,1,0]=3 5903 B13R1.386 CC=Cc1ccc(c(n1)OC)C#N 271570a_100016259895_100000708423 [0,2,0,0,0,0|2,0,0]=4 5904 B13R1.386 CC=Cc1ccc(c(n1)OC)C=O 271570a_100016259895_100009864722 [0,2,0,0,0,0|1,0,1]=4 5905 B13R1.386 CC=Cc1ccc(c(n1)OC)CN 271570a_100016259895_100015687481 [0,2,0,0,0,0|2,0,0]=4 5906 B13R1.386 CC=Cc1ccc(c(n1)OC)CO 271570a_100016259895_100010988397 [0,2,0,0,0,0|1,0,0]=3 5907 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [0,2,0,0,0,0|1,0,0]=3 5908 B13R1.386 CC=Cc1cnc(c(c1)OC)C#N 271570a_100016259895_100000719880 [0,2,0,0,0,0|2,0,0]=4 5909 B13R1.386 CC=Cc1cnc(c(c1)OC)C=O 271570a_100016259895_100010246152 [0,2,0,0,0,0|1,0,1]=4 5910 B13R1.386 CC=Cc1cnc(c(c1)OC)CO 271570a_100016259895_200010246159 [0,2,0,0,0,0|1,0,0]=3 5911 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [0,2,0,0,0,0|1,0,0]=3 5912 B13R1.386 CC=Cc1cnc(c(n1)OC)OC 271570a_100016259895_100010132954 [0,2,0,0,0,0|2,0,0]=4 5913 B13R1.386 CC=Cc1ncc(c(n1)OC)CO 271570a_100016259895_200011024631 [0,2,0,0,0,0|2,0,0]=4 5914 B13R1.386 CC=Cc1ncc(c(n1)OC)OC 271570a_100016259895_100010280452 [0,2,0,0,0,0|2,0,0]=4 5915 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,2,0,0,0,0|0,0,2]=4 5916 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,2,0,0,0,0|0,0,2]=4 5917 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,2,0,0,0,0|0,0,2]=4 5918 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,2,0,0,0,0|0,0,2]=4 5919 B13R1.386 CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210202 [0,2,0,0,0,0|0,0,2]=4 5920 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [0,2,0,0,0,0|0,0,2]=4 5921 B13R1.386 CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210202 [0,2,0,0,0,0|0,0,2]=4 5922 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [0,2,0,0,0,0|0,0,2]=4 5923 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100000210202_100011277633 [0,2,0,0,0,0|0,0,2]=4 5924 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210202 [0,2,0,0,0,0|0,0,2]=4 5925 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [0,2,0,0,0,0|0,0,2]=4 5926 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,2,0,0,0,0|0,0,2]=4 5927 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,2,0,0,0,0|0,0,2]=4 5928 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,2,0,0,0,0|0,0,2]=4 5929 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,2,0,0,0,0|0,0,2]=4 5930 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,2,0,0,0,0|0,0,2]=4 5931 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,2,0,0,0,0|0,0,2]=4 5932 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,2,0,0,0,0|0,0,2]=4 5933 B13R1.386 COc1cc(ccc1CO)NCF 34a_100012183141_100015361967 [0,2,0,0,0,0|1,0,1]=4 5934 B13R1.386 COc1cc(ccc1CO)OCF 34a_200000116926_100015361967 [0,2,0,0,0,0|1,0,1]=4 5935 B13R1.386 COc1cc(ccc1CO)SCF 62a_100011277633_100015361967 [0,2,0,0,0,0|1,0,1]=4 5936 B13R1.386 COc1cc(ccc1CO)SCF 62a_100015361967_100011277633 [0,2,0,0,0,0|1,0,1]=4 5937 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,2,0,0,0,0|0,0,2]=4 5938 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,2,0,0,0,0|0,0,2]=4 5939 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,2,0,0,0,0|0,0,2]=4 5940 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,2,0,0,0,0|0,0,2]=4 5941 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,2,0,0,0,0|0,0,2]=4 5942 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,2,0,0,0,0|0,0,2]=4 5943 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,2,0,0,0,0|0,0,2]=4 5944 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,2,0,0,0,0|0,0,2]=4 5945 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,2,0,0,0,0|0,0,2]=4 5946 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,2,0,0,0,0|0,0,2]=4 5947 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,2,0,0,0,0|0,0,2]=4 5948 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,2,0,0,0,0|0,0,2]=4 5949 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,2,0,0,0,0|0,0,2]=4 5950 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,2,0,0,0,0|0,0,2]=4 5951 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,2,0,0,0,0|0,0,2]=4 5952 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [0,2,0,0,0,0|1,0,1]=4 5953 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [0,2,0,0,0,0|1,0,1]=4 5954 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [0,2,0,0,0,0|1,0,1]=4 5955 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,2,0,0,0,0|0,0,2]=4 5956 B13R1.434 C=Cc1cc(c(c(c1)OC)C#N)F 271570a_100011290941_100000697026 [0,2,0,0,0,0|1,0,0]=3 5957 B13R1.434 C=Cc1cc(c(c(c1)OC)C=O)F 271570a_100011290941_100010363811 [0,2,0,0,0,0|0,0,1]=3 5958 B13R1.434 COc1cc(c(c(c1)OC)OC)Br 34a_200020900881_200000210301 [0,2,0,0,0,0|1,0,1]=4 5959 B13R1.434 COc1cc(c(c(c1)O[13CH3])OC)Br 34a_200020900881_200025704644 [0,2,0,0,0,0|1,0,1]=4 5960 B13R1.434 COc1cc(cc(c1OC)Br)C#N 34a_100000188612_200000210301 [0,2,0,0,0,0|1,0,1]=4 5961 B13R1.434 COc1cc(cc(c1OC)Br)C#N 7a_100000188612_200000210301 [0,2,0,0,0,0|1,0,1]=4 5962 B13R1.434 COc1cc(cc(c1OC)C)C#N 34a_200009855753_200000210301 [0,2,0,0,0,0|1,0,1]=4 5963 B13R1.434 COc1cc(cc(c1OC)C)C#N 7a_200009855753_200000210301 [0,2,0,0,0,0|1,0,1]=4 5964 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 34a_100000014776_200000210301 [0,2,0,0,0,0|1,0,1]=4 5965 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 7a_100000014776_200000210301 [0,2,0,0,0,0|1,0,1]=4 5966 B13R1.434 COc1cc(cc(c1OC)Cl)CO 34a_200000246286_200000210301 [0,2,0,0,0,0|1,0,1]=4 5967 B13R1.434 COc1cc(cc(c1OC)I)C#N 7a_100000014777_200000210301 [0,2,0,0,0,0|1,0,1]=4 5968 B13R1.434 COc1cc(cc(c1OC)I)CO 34a_200000022573_200000210301 [0,2,0,0,0,0|1,0,1]=4 5969 B13R1.434 COc1cc(cc(c1OC)O)C#N 271570a_203496583355_100009812337 [0,2,0,0,0,0|1,0,1]=4 5970 B13R1.434 COc1cc(cc(c1OC)O)C=O 271570a_203496583355_100000188315 [0,2,0,0,0,0|1,0,0]=3 5971 B13R1.434 COc1cc(cc(c1OC)O)CO 271570a_203496583355_200000215730 [0,2,0,0,0,0|1,0,1]=4 5972 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 34a_100000188612_200025704644 [0,2,0,0,0,0|1,0,1]=4 5973 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 7a_100000188612_200025704644 [0,2,0,0,0,0|1,0,1]=4 5974 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 34a_200009855753_200025704644 [0,2,0,0,0,0|1,0,1]=4 5975 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 7a_200009855753_200025704644 [0,2,0,0,0,0|1,0,1]=4 5976 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 34a_100000014776_200025704644 [0,2,0,0,0,0|1,0,1]=4 5977 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 7a_100000014776_200025704644 [0,2,0,0,0,0|1,0,1]=4 5978 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)CO 34a_200000246286_200025704644 [0,2,0,0,0,0|1,0,1]=4 5979 B13R1.434 COc1cc(cc(c1O[13CH3])I)C#N 7a_100000014777_200025704644 [0,2,0,0,0,0|1,0,1]=4 5980 B13R1.434 COc1cc(cc(c1O[13CH3])I)CO 34a_200000022573_200025704644 [0,2,0,0,0,0|1,0,1]=4 5981 B13R1.1249 C=C=Cc1ccc(cc1OC)C=O 271570a_100015277604_100010244714 [0,2,0,0,0,0|2,0,0]=4 5982 B13R1.1249 C=Cc1ccc(c(c1)C#N)OCC 271570a_100011290941_100000188824 [0,2,0,0,0,0|2,0,0]=4 5983 B13R1.1249 C=Cc1ccc(c(c1)C=O)OCC 271570a_100011290941_100000170027 [0,2,0,0,0,0|2,0,0]=4 5984 B13R1.1249 C=Cc1ccc(c(c1)CC)OCC 271570a_100011290941_200010070707 [0,2,0,0,0,0|1,0,0]=3 5985 B13R1.1249 C=Cc1ccc(c(c1)OC)CC#N 271570a_100011290941_100010245117 [0,2,0,0,0,0|1,0,0]=3 5986 B13R1.1249 C=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100011217988 [0,2,0,0,0,0|1,0,0]=3 5987 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 271570a_100011290941_200012344064 [0,2,0,0,0,0|0,0,0]=2 5988 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 34a_100011217988_100000210202 [0,2,0,0,0,0|0,0,0]=2 5989 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF 34a_100011217988_100015361967 [0,2,0,0,0,0|0,0,0]=2 5990 B13R1.1249 C=Cc1cnc(c(c1)OC)OCC 271570a_100011290941_200010116856 [0,2,0,0,0,0|1,0,0]=3 5991 B13R1.1249 CC=Cc1ccc(cc1OC)C=O 271570a_100016259895_100010244714 [0,2,0,0,0,0|2,0,0]=4 5992 B13R1.1249 CCOc1ccc(cc1OC)C#N 34a_100000184589_100000210202 [0,2,0,0,0,0|1,0,1]=4 5993 B13R1.1249 CCOc1ccc(cc1OC)C#N 7a_100000184589_100000210202 [0,2,0,0,0,0|1,0,1]=4 5994 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [0,2,0,0,0,0|0,0,2]=4 5995 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [0,2,0,0,0,0|0,0,2]=4 5996 B13R1.1249 CCOc1ccc(cc1OC)CN 34a_100000185554_100000210202 [0,2,0,0,0,0|1,0,1]=4 5997 B13R1.1249 CCOc1ccc(cc1OC)NC 2230a_100000184985_200000210301 [0,2,0,0,0,0|1,0,1]=4 5998 B13R1.1249 CCOc1ccc(cc1OC)NC 34a_100000184985_200000210301 [0,2,0,0,0,0|1,0,1]=4 5999 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 2230a_100000184985_200025704644 [0,2,0,0,0,0|1,0,1]=4 6000 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 34a_100000184985_200025704644 [0,2,0,0,0,0|1,0,1]=4 6001 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [0,2,0,0,0,0|1,0,1]=4 6002 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_100000173028_200000210301 [0,2,0,0,0,0|1,1,0]=4 6003 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_200000210301_100000173028 [0,2,0,0,0,0|1,1,0]=4 6004 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_100000173028_200025704644 [0,2,0,0,0,0|1,1,0]=4 6005 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173028 [0,2,0,0,0,0|1,1,0]=4 6006 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100000210202_100010244714 [0,2,0,0,0,0|1,1,0]=4 6007 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100010244714_100000210202 [0,2,0,0,0,0|1,1,0]=4 6008 B13R1.1249 CCc1ccc(c(c1)OC)OCF 34a_100000186467_100015361967 [0,2,0,0,0,0|0,0,2]=4 6009 B13R1.1249 CCc1ccc(c(c1)OC)OCF 7a_100000186467_100015361967 [0,2,0,0,0,0|0,0,2]=4 6010 B13R1.1249 COCc1ccc(cc1OC)C#N 34a_100000102359_200000210301 [0,2,0,0,0,0|1,0,1]=4 6011 B13R1.1249 COCc1ccc(cc1OC)C#N 7a_100000102359_200000210301 [0,2,0,0,0,0|1,0,1]=4 6012 B13R1.1249 COCc1ccc(cc1OC)OC 34a_100011218031_200000210301 [0,2,0,0,0,0|1,0,1]=4 6013 B13R1.1249 COCc1ccc(cc1OC)OC 7a_100011218031_200000210301 [0,2,0,0,0,0|1,0,1]=4 6014 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 34a_100000102359_200025704644 [0,2,0,0,0,0|1,0,1]=4 6015 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 7a_100000102359_200025704644 [0,2,0,0,0,0|1,0,1]=4 6016 B13R1.1249 COc1cc(ccc1OCF)C#N 34a_100000184589_100015361967 [0,2,0,0,0,0|1,0,1]=4 6017 B13R1.1249 COc1cc(ccc1OCF)C#N 7a_100000184589_100015361967 [0,2,0,0,0,0|1,0,1]=4 6018 B13R1.1249 COc1cc(ccc1OCF)CN 34a_100000185554_100015361967 [0,2,0,0,0,0|1,0,1]=4 6019 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100010244714_100015361967 [0,2,0,0,0,0|1,1,0]=4 6020 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100015361967_100010244714 [0,2,0,0,0,0|1,1,0]=4 6021 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 34a_100011218031_200025704644 [0,2,0,0,0,0|1,0,1]=4 6022 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 7a_100011218031_200025704644 [0,2,0,0,0,0|1,0,1]=4 6023 B13R1.1249 COc1ccc(c(c1)OC)OCF 34a_100009840267_100015361967 [0,2,0,0,0,0|1,0,1]=4 6024 B13R1.2200 C=Cc1cc(c(cc1C=O)O)OC 271570a_100011290941_100000183646 [0,2,0,0,0,0|0,0,0]=2 6025 B13R1.2200 C=Cc1cc(c(cc1C=O)OC)F 271570a_100011290941_100010366953 [0,2,0,0,0,0|2,0,0]=4 6026 B13R1.2200 C=Cc1cc(c(cc1C=O)OC)O 271570a_100011290941_100000741691 [0,2,0,0,0,0|1,0,0]=3 6027 B13R1.2200 C=Cc1cc(c(cc1F)OC)OC 271570a_100011290941_200011765842 [0,2,0,0,0,0|0,0,0]=2 6028 B13R1.2200 C=Cc1cc(c(cc1OC)Br)OC 271570a_100011290941_100013799044 [0,2,0,0,0,0|1,0,0]=3 6029 B13R1.2200 C=Cc1cc(c(cc1OC)C)OC 271570a_100011290941_100000039368 [0,2,0,0,0,0|1,0,0]=3 6030 B13R1.2200 C=Cc1cc(c(cc1OC)C=O)F 271570a_100011290941_100000695681 [0,2,0,0,0,0|2,0,0]=4 6031 B13R1.2200 C=Cc1cc(c(cc1OC)C=O)O 271570a_100011290941_100010762608 [0,2,0,0,0,0|2,0,0]=4 6032 B13R1.2200 C=Cc1cc(c(cc1OC)Cl)OC 271570a_100011290941_100000023288 [0,2,0,0,0,0|1,0,0]=3 6033 B13R1.2200 C=Cc1cc(c(cc1OC)O)C=O 271570a_100011290941_100009998278 [0,2,0,0,0,0|2,0,0]=4 6034 B13R1.2200 C=Cc1cc(c(cc1OC)O)OC 271570a_100011290941_100009816818 [0,2,0,0,0,0|0,0,0]=2 6035 B13R1.2200 C=Cc1nc(c(cc1C)OC)OC 271570a_100011290941_200011016175 [0,2,0,0,0,0|1,0,0]=3 6036 B13R1.2200 CCc1cc(c(cc1C)OC)OC 34a_200010661296_200000210301 [0,2,0,0,0,0|0,0,2]=4 6037 B13R1.2200 CCc1cc(c(cc1C)OC)OC 7a_200010661296_200000210301 [0,2,0,0,0,0|0,0,2]=4 6038 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 34a_200010661296_200025704644 [0,2,0,0,0,0|0,0,2]=4 6039 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 7a_200010661296_200025704644 [0,2,0,0,0,0|0,0,2]=4 6040 B13R1.2200 CCc1cc(c(cc1F)OC)OC 34a_100000070332_200000210301 [0,2,0,0,0,0|0,0,2]=4 6041 B13R1.2200 CCc1cc(c(cc1F)OC)OC 7a_100000070332_200000210301 [0,2,0,0,0,0|0,0,2]=4 6042 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 34a_100000070332_200025704644 [0,2,0,0,0,0|0,0,2]=4 6043 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 7a_100000070332_200025704644 [0,2,0,0,0,0|0,0,2]=4 6044 B13R1.2200 CNc1cc(c(cc1C)OC)OC 34a_100000183460_200000210301 [0,2,0,0,0,0|1,0,1]=4 6045 B13R1.2200 CNc1cc(c(cc1F)OC)OC 34a_100000753170_200000210301 [0,2,0,0,0,0|1,0,1]=4 6046 B13R1.2200 COc1cc(c(cc1Br)OC)OC 34a_100009816818_200000210301 [0,2,0,0,0,0|1,0,1]=4 6047 B13R1.2200 COc1cc(c(cc1Br)OC)OC 7a_100009816818_200000210301 [0,2,0,0,0,0|1,0,1]=4 6048 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 34a_100009816818_200025704644 [0,2,0,0,0,0|1,0,1]=4 6049 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 7a_100009816818_200025704644 [0,2,0,0,0,0|1,0,1]=4 6050 B13R1.2200 COc1cc(c(cc1F)SC)C=O 62a_100010366953_200000210301 [0,2,0,0,0,0|2,0,0]=4 6051 B13R1.2200 COc1cc(c(cc1F)SC)C=O 62a_200000210301_100010366953 [0,2,0,0,0,0|2,0,0]=4 6052 B13R1.2200 COc1cc(c(cc1F)S[13CH3])C=O 62a_100010366953_200025704644 [0,2,0,0,0,0|2,0,0]=4 6053 B13R1.2200 COc1cc(c(cc1F)S[13CH3])C=O 62a_200025704644_100010366953 [0,2,0,0,0,0|2,0,0]=4 6054 B13R1.2200 COc1cc(c(cc1O)C=O)OC 271570a_203496583355_200009812229 [0,2,0,0,0,0|1,0,1]=4 6055 B13R1.2200 COc1cc(c(cc1O)C=O)SC 62a_200000210301_100000183646 [0,2,0,0,0,0|1,0,1]=4 6056 B13R1.2200 COc1cc(c(cc1O)C=O)S[13CH3] 62a_200025704644_100000183646 [0,2,0,0,0,0|1,0,1]=4 6057 B13R1.2200 COc1cc(c(cc1O)CO)OC 271570a_203496583355_200010164068 [0,2,0,0,0,0|1,0,1]=4 6058 B13R1.2200 COc1cc(c(cc1O)OC)C=O 271570a_203496583355_100000188581 [0,2,0,0,0,0|1,0,0]=3 6059 B13R1.2200 COc1cc(c(cc1O)OC)OC 271570a_203496583355_100000050122 [0,2,0,0,0,0|1,0,1]=4 6060 B13R1.2200 COc1cc(c(cc1O)SC)C=O 62a_200000210301_100000741691 [0,2,0,0,0,0|1,0,0]=3 6061 B13R1.2200 COc1cc(c(cc1O)S[13CH3])C=O 62a_200025704644_100000741691 [0,2,0,0,0,0|1,0,0]=3 6062 B13R1.2200 COc1cc(c(cc1OC)C#N)O 271570a_203496583355_100000188247 [0,2,0,0,0,0|1,0,1]=4 6063 B13R1.2200 COc1cc(c(cc1OC)C=O)O 271570a_203496583355_100000170863 [0,2,0,0,0,0|1,0,0]=3 6064 B13R1.2200 COc1cc(c(cc1OC)CO)O 271570a_203496583355_200000246283 [0,2,0,0,0,0|1,0,1]=4 6065 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])C 34a_100000183460_200025704644 [0,2,0,0,0,0|1,0,1]=4 6066 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])F 34a_100000753170_200025704644 [0,2,0,0,0,0|1,0,1]=4 6067 B13R1.2200 COc1cc(c(cc1OC)SC)F 62a_200011765842_200000210301 [0,2,0,0,0,0|1,0,1]=4 6068 B13R1.2200 COc1cc(c(cc1OC)S[13CH3])F 62a_200011765842_200025704644 [0,2,0,0,0,0|1,0,1]=4 6069 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_100010244998_200000210301 [0,2,0,0,0,0|1,1,0]=4 6070 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_200000210301_100010244998 [0,2,0,0,0,0|1,1,0]=4 6071 B13R1.2200 COc1cc(c(cc1SC)C=O)O 62a_200000210301_100009998278 [0,2,0,0,0,0|1,1,0]=4 6072 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_100000695681_200000210301 [0,2,0,0,0,0|1,1,0]=4 6073 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_200000210301_100000695681 [0,2,0,0,0,0|1,1,0]=4 6074 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_100010762608_200000210301 [0,2,0,0,0,0|1,1,0]=4 6075 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_200000210301_100010762608 [0,2,0,0,0,0|1,1,0]=4 6076 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_100010244998_200025704644 [0,2,0,0,0,0|1,1,0]=4 6077 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010244998 [0,2,0,0,0,0|1,1,0]=4 6078 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)O 62a_200025704644_100009998278 [0,2,0,0,0,0|1,1,0]=4 6079 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_100000695681_200025704644 [0,2,0,0,0,0|1,1,0]=4 6080 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_200025704644_100000695681 [0,2,0,0,0,0|1,1,0]=4 6081 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_100010762608_200025704644 [0,2,0,0,0,0|1,1,0]=4 6082 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_200025704644_100010762608 [0,2,0,0,0,0|1,1,0]=4 6083 B13R1.2422 C=Cc1ccc(c(c1C)OC)OC 271570a_100011290941_100010000156 [0,2,0,0,0,0|0,0,0]=2 6084 B13R1.2422 C=Cc1ccc(c(c1F)C=O)OC 271570a_100011290941_100010202131 [0,2,0,0,0,0|2,0,0]=4 6085 B13R1.2422 C=Cc1ccc(c(c1F)OC)C#N 271570a_100011290941_200010764283 [0,2,0,0,0,0|1,0,0]=3 6086 B13R1.2422 C=Cc1ccc(c(c1OC)F)C=O 271570a_100011290941_200010981996 [0,2,0,0,0,0|2,0,0]=4 6087 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200000210301_200010981996 [0,2,0,0,0,0|1,1,0]=4 6088 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200010981996_200000210301 [0,2,0,0,0,0|1,1,0]=4 6089 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200010981996_200025704644 [0,2,0,0,0,0|1,1,0]=4 6090 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_200010981996 [0,2,0,0,0,0|1,1,0]=4 6091 B13R1.2422 COc1ccc(c(c1OC)C)SC 62a_200000210301_100010000156 [0,2,0,0,0,0|1,0,1]=4 6092 B13R1.2422 COc1ccc(c(c1OC)C)S[13CH3] 62a_200025704644_100010000156 [0,2,0,0,0,0|1,0,1]=4 6093 B13R1.2422 COc1ccc(c(c1OC)O)C=O 271570a_203496583355_100009814707 [0,2,0,0,0,0|1,0,0]=3 6094 B13R1.2422 COc1ccc(c(c1SC)O)C=O 62a_200000210301_100016072024 [0,2,0,0,0,0|1,1,0]=4 6095 B13R1.2422 COc1ccc(c(c1S[13CH3])O)C=O 62a_200025704644_100016072024 [0,2,0,0,0,0|1,1,0]=4 6096 B13R1.2430 C=C(C)c1cc(ccc1OC)C=O 271570a_100000694244_100000173361 [0,2,0,0,0,0|2,0,0]=4 6097 B13R1.2430 C=Cc1ccc(c(c1)B(O)O)OC 271570a_100011290941_100009813459 [0,2,0,0,0,0|2,0,0]=4 6098 B13R1.2430 C=Cc1ccc(c(c1)C(=O)C)OC 271570a_100011290941_100000173343 [0,2,0,0,0,0|1,0,0]=3 6099 B13R1.2430 C=Cc1ccc(c(c1)C(F)F)OC 271570a_100011290941_100010146105 [0,2,0,0,0,0|2,0,0]=4 6100 B13R1.2430 C=Cc1cnc(c(c1)C(=O)C)OC 271570a_100011290941_100010135678 [0,2,0,0,0,0|2,0,0]=4 6101 B13R1.97 C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100011290941_200010006938 [0,2,0,0,0,0|1,0,0]=3 6102 B13R1.97 C=Cc1ccc(c(c1)CN(C)C)F 271570a_100011290941_100011597561 [0,2,0,0,0,0|2,0,0]=4 6103 B13R1.97 C=Cc1ccc(c(c1)NC(=O)C)C 271570a_100011290941_100011344836 [0,2,0,0,0,0|2,0,0]=4 6104 B13R1.97 C=Cc1ccc(c(c1)NC(=O)C)F 271570a_100011290941_200011951791 [0,2,0,0,0,0|2,0,0]=4 6105 B13R1.97 C=Cc1ccc(c(c1)NC(C)C)C 271570a_100011290941_200000714908 [0,2,0,0,0,0|2,0,0]=4 6106 B13R1.97 C=Cc1ccc(c(c1)OC(=O)C)C 271570a_100011290941_100103282185 [0,2,0,0,0,0|1,0,0]=3 6107 B13R1.97 C=Cc1ccc(c(c1)OC(C)C)C 271570a_100011290941_200012359587 [0,2,0,0,0,0|1,0,0]=3 6108 B13R1.97 C=Cc1ccc(c(c1)OC(C)C)F 271570a_100011290941_200012350295 [0,2,0,0,0,0|1,0,0]=3 6109 B13R1.97 C=Cc1ccc(c(c1)OC(F)F)F 271570a_100011290941_100012359426 [0,2,0,0,0,0|1,0,0]=3 6110 B13R1.97 C=Cc1ccc(c(c1)OC(F)F)N 271570a_100011290941_100010212277 [0,2,0,0,0,0|1,0,0]=3 6111 B13R1.97 C=Cc1cnc(c(c1)OC(C)C)F 271570a_100011290941_200010713186 [0,2,0,0,0,0|2,0,0]=4 6112 B13R1.97 C=Cc1cnc(c(c1)OC(F)F)N 271570a_100011290941_100010069457 [0,2,0,0,0,0|2,0,0]=4 6113 B13R1.97 CC(=Cc1cc(ccc1O)C=O)C 271570a_100102525489_100000184552 [0,2,0,0,0,0|2,0,0]=4 6114 B13R1.97 CC(C)Sc1cc(ccc1O)C=O 62a_100000184552_100000210206 [0,2,0,0,0,0|1,1,0]=4 6115 B13R1.97 CC(C)Sc1cc(ccc1O)C=O 62a_100000210206_100000184552 [0,2,0,0,0,0|1,1,0]=4 6116 B13R1.384 C=C=Cc1cc(c(cn1)N)OCC 271570a_100015277604_100015764953 [0,2,0,0,0,0|2,0,0]=4 6117 B13R1.384 C=C=Cc1ccc(c(c1)CNC)C 271570a_100015277604_106744473289 [0,2,0,0,0,0|2,0,0]=4 6118 B13R1.384 C=C=Cc1ccc(c(c1)CNC)F 271570a_100015277604_100000748472 [0,2,0,0,0,0|2,0,0]=4 6119 B13R1.384 C=C=Cc1ccc(c(c1)CNC)O 271570a_100015277604_100011602694 [0,2,0,0,0,0|1,0,0]=3 6120 B13R1.384 C=C=Cc1ccc(c(c1)COC)Br 271570a_100015277604_202125822959 [0,2,0,0,0,0|1,0,0]=3 6121 B13R1.384 C=C=Cc1ccc(c(c1)COC)F 271570a_100015277604_100010140362 [0,2,0,0,0,0|1,0,0]=3 6122 B13R1.384 C=C=Cc1ccc(c(c1)NCC)N 271570a_100015277604_100000696630 [0,2,0,0,0,0|2,0,0]=4 6123 B13R1.384 C=C=Cc1ccc(c(c1)OCC)C 271570a_100015277604_100012361169 [0,2,0,0,0,0|1,0,0]=3 6124 B13R1.384 C=C=Cc1ccc(c(c1)OCC)F 271570a_100015277604_200012344967 [0,2,0,0,0,0|1,0,0]=3 6125 B13R1.384 C=C=Cc1ccc(c(c1)OCC)N 271570a_100015277604_100000688918 [0,2,0,0,0,0|1,0,0]=3 6126 B13R1.384 C=C=Cc1cnc(c(c1)OCC)F 271570a_100015277604_100010732568 [0,2,0,0,0,0|2,0,0]=4 6127 B13R1.384 CC=Cc1cc(c(cn1)N)OCC 271570a_100016259895_100015764953 [0,2,0,0,0,0|2,0,0]=4 6128 B13R1.384 CC=Cc1ccc(c(c1)CNC)C 271570a_100016259895_106744473289 [0,2,0,0,0,0|2,0,0]=4 6129 B13R1.384 CC=Cc1ccc(c(c1)CNC)F 271570a_100016259895_100000748472 [0,2,0,0,0,0|2,0,0]=4 6130 B13R1.384 CC=Cc1ccc(c(c1)CNC)O 271570a_100016259895_100011602694 [0,2,0,0,0,0|1,0,0]=3 6131 B13R1.384 CC=Cc1ccc(c(c1)COC)Br 271570a_100016259895_202125822959 [0,2,0,0,0,0|1,0,0]=3 6132 B13R1.384 CC=Cc1ccc(c(c1)COC)F 271570a_100016259895_100010140362 [0,2,0,0,0,0|1,0,0]=3 6133 B13R1.384 CC=Cc1ccc(c(c1)NCC)N 271570a_100016259895_100000696630 [0,2,0,0,0,0|2,0,0]=4 6134 B13R1.384 CC=Cc1ccc(c(c1)OCC)C 271570a_100016259895_100012361169 [0,2,0,0,0,0|1,0,0]=3 6135 B13R1.384 CC=Cc1ccc(c(c1)OCC)F 271570a_100016259895_200012344967 [0,2,0,0,0,0|1,0,0]=3 6136 B13R1.384 CC=Cc1ccc(c(c1)OCC)N 271570a_100016259895_100000688918 [0,2,0,0,0,0|1,0,0]=3 6137 B13R1.384 CC=Cc1cnc(c(c1)OCC)F 271570a_100016259895_100010732568 [0,2,0,0,0,0|2,0,0]=4 6138 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [0,2,0,0,0,0|0,0,2]=4 6139 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [0,2,0,0,0,0|0,0,2]=4 6140 B13R1.558 C#CCSc1cc(ccc1O)C=O 62a_100000038162_100000184552 [0,2,0,0,0,0|1,1,0]=4 6141 B13R1.558 C=CCSc1cc(ccc1O)C=O 62a_100000184552_100000210623 [0,2,0,0,0,0|1,1,0]=4 6142 B13R1.558 C=CCSc1cc(ccc1O)C=O 62a_100000210623_100000184552 [0,2,0,0,0,0|1,1,0]=4 6143 B13R1.558 C=Cc1ccc(c(c1)/C=N/OC)F 271570a_100011290941_200009812721 [0,2,0,0,0,0|1,0,0]=3 6144 B13R1.558 C=Cc1ccc(c(c1)CNCC)F 271570a_100011290941_100000748473 [0,2,0,0,0,0|2,0,0]=4 6145 B13R1.558 C=Cc1ccc(c(c1)CNCC)O 271570a_100011290941_100000765307 [0,2,0,0,0,0|1,0,0]=3 6146 B13R1.558 CCCCc1cc(ccc1O)C=O 271570a_100020621405_100000184552 [0,2,0,0,0,0|2,0,0]=4 6147 B13R1.558 CCCSc1cc(ccc1O)C=O 62a_100000184552_100000210303 [0,2,0,0,0,0|1,1,0]=4 6148 B13R1.558 CCCSc1cc(ccc1O)C=O 62a_100000210303_100000184552 [0,2,0,0,0,0|1,1,0]=4 6149 B13R1.558 CCc1ccc(c(c1)SCOC)O 62a_100000766300_100012339963 [0,2,0,0,0,0|0,0,2]=4 6150 B13R1.558 CCc1ccc(c(c1)SCOC)O 62a_100012339963_100000766300 [0,2,0,0,0,0|0,0,2]=4 6151 B13R1.558 COCSc1cc(ccc1Br)C=O 62a_100000766300_100010146563 [0,2,0,0,0,0|2,0,0]=4 6152 B13R1.558 COCSc1cc(ccc1Br)C=O 62a_100010146563_100000766300 [0,2,0,0,0,0|2,0,0]=4 6153 B13R1.558 COCSc1cc(ccc1C)C=O 62a_100000695567_100000766300 [0,2,0,0,0,0|2,0,0]=4 6154 B13R1.558 COCSc1cc(ccc1C)C=O 62a_100000766300_100000695567 [0,2,0,0,0,0|2,0,0]=4 6155 B13R1.558 COCSc1cc(ccc1Cl)C=O 62a_100000766300_100010209939 [0,2,0,0,0,0|2,0,0]=4 6156 B13R1.558 COCSc1cc(ccc1Cl)C=O 62a_100010209939_100000766300 [0,2,0,0,0,0|2,0,0]=4 6157 B13R1.558 COCSc1cc(ccc1F)C=O 62a_100000211747_100000766300 [0,2,0,0,0,0|2,0,0]=4 6158 B13R1.558 COCSc1cc(ccc1F)C=O 62a_100000766300_100000211747 [0,2,0,0,0,0|2,0,0]=4 6159 B13R1.558 COCSc1cc(ccc1O)C#N 62a_100000766300_100000725478 [0,2,0,0,0,0|1,0,1]=4 6160 B13R1.558 COCSc1cc(ccc1O)C=O 62a_100000184552_100000766300 [0,2,0,0,0,0|1,0,0]=3 6161 B13R1.558 COCSc1cc(ccc1O)C=O 62a_100000766300_100000184552 [0,2,0,0,0,0|1,0,0]=3 6162 B13R1.558 COCSc1cc(ccc1O)CO 62a_100000766300_100011191544 [0,2,0,0,0,0|1,0,1]=4 6163 B13R1.558 COCSc1cc(ccc1O)CO 62a_100011191544_100000766300 [0,2,0,0,0,0|1,0,1]=4 6164 B13R1.558 COCSc1cc(ccc1O)OC 62a_100000766300_100000685887 [0,2,0,0,0,0|1,0,1]=4 6165 B13R1.558 COCSc1cc(cnc1O)C=O 62a_100000766300_100010064886 [0,2,0,0,0,0|2,0,0]=4 6166 B13R1.558 COCSc1cc(cnc1O)C=O 62a_100010064886_100000766300 [0,2,0,0,0,0|2,0,0]=4 6167 B13R1.558 CSCSc1cc(ccc1O)C=O 62a_100000184552_100011218213 [0,2,0,0,0,0|1,1,0]=4 6168 B13R1.558 CSCSc1cc(ccc1O)C=O 62a_100011218213_100000184552 [0,2,0,0,0,0|1,1,0]=4 6169 B13R1.558 N#CCSc1cc(ccc1O)C=O 62a_100000184552_100011215382 [0,2,0,0,0,0|1,1,0]=4 6170 B13R1.558 N#CCSc1cc(ccc1O)C=O 62a_100011215382_100000184552 [0,2,0,0,0,0|1,1,0]=4 6171 B13R1.558 O=CCSc1cc(ccc1O)C=O 62a_100000184552_200015260668 [0,2,0,0,0,0|1,1,0]=4 6172 B13R1.558 O=CCSc1cc(ccc1O)C=O 62a_200015260668_100000184552 [0,2,0,0,0,0|1,1,0]=4 6173 B13R1.558 O=Cc1ccc(c(c1)SCCF)O 62a_100000184552_100011217306 [0,2,0,0,0,0|1,1,0]=4 6174 B13R1.558 O=Cc1ccc(c(c1)SCCF)O 62a_100011217306_100000184552 [0,2,0,0,0,0|1,1,0]=4 6175 B13R1.558 O=Cc1ccc(c(c1)SCCO)O 62a_100000184552_100000211926 [0,2,0,0,0,0|1,1,0]=4 6176 B13R1.558 O=Cc1ccc(c(c1)SCCO)O 62a_100000211926_100000184552 [0,2,0,0,0,0|1,1,0]=4 6177 B13R1.2431 C=Cc1c[nH]c(=O)c(c1)C(=O)OC 271570a_100011290941_100009816710 [0,2,0,0,0,0|1,0,1]=4 6178 B13R1.2431 C=Cc1cc(c(cn1)C)C(=O)OC 271570a_100011290941_100009858526 [0,2,0,0,0,0|2,0,0]=4 6179 B13R1.2431 C=Cc1cc(c(cn1)F)C(=O)OC 271570a_100011290941_100010218257 [0,2,0,0,0,0|2,0,0]=4 6180 B13R1.2431 C=Cc1cc(c(cn1)N)C(=O)OC 271570a_100011290941_100012180746 [0,2,0,0,0,0|2,0,0]=4 6181 B13R1.2431 C=Cc1cc(c(cn1)O)C(=O)OC 271570a_100011290941_100010136202 [0,2,0,0,0,0|1,0,0]=3 6182 B13R1.2431 C=Cc1ccc(c(c1)C(=O)CC)O 271570a_100011290941_100000183607 [0,2,0,0,0,0|1,0,0]=3 6183 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NC)F 271570a_100011290941_100000155058 [0,2,0,0,0,0|2,0,0]=4 6184 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NC)N 271570a_100011290941_100000690504 [0,2,0,0,0,0|2,0,0]=4 6185 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NN)O 271570a_100011290941_100000193350 [0,2,0,0,0,0|2,0,0]=4 6186 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Br 271570a_100011290941_100012340073 [0,2,0,0,0,0|1,0,0]=3 6187 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)C 271570a_100011290941_100012360116 [0,2,0,0,0,0|1,0,0]=3 6188 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Cl 271570a_100011290941_100012353682 [0,2,0,0,0,0|1,0,0]=3 6189 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)F 271570a_100011290941_100000154357 [0,2,0,0,0,0|1,0,0]=3 6190 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)N 271570a_100011290941_100000212070 [0,2,0,0,0,0|1,0,0]=3 6191 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100011290941_100000149868 [0,2,0,0,0,0|0,0,0]=2 6192 B13R1.2431 C=Cc1ccc(c(c1)[C@H](N)CO)F 271570a_100011290941_100010142275 [0,2,0,0,0,0|2,0,0]=4 6193 B13R1.2431 C=Cc1ccc(c(n1)C(=O)OC)C 271570a_100011290941_100000117997 [0,2,0,0,0,0|2,0,0]=4 6194 B13R1.2431 C=Cc1ccc(c(n1)C(=O)OC)F 271570a_100011290941_100000697719 [0,2,0,0,0,0|2,0,0]=4 6195 B13R1.2431 C=Cc1ccc(c(n1)C(=O)OC)N 271570a_100011290941_100009860768 [0,2,0,0,0,0|2,0,0]=4 6196 B13R1.2431 C=Cc1ccc(c(n1)C(=O)OC)O 271570a_100011290941_100000697862 [0,2,0,0,0,0|1,0,0]=3 6197 B13R1.2431 C=Cc1cnc(c(c1)C(=O)OC)C 271570a_100011290941_100010180201 [0,2,0,0,0,0|2,0,0]=4 6198 B13R1.2431 C=Cc1cnc(c(c1)C(=O)OC)F 271570a_100011290941_100010243567 [0,2,0,0,0,0|2,0,0]=4 6199 B13R1.2431 C=Cc1cnc(c(c1)C(=O)OC)N 271570a_100011290941_100009816750 [0,2,0,0,0,0|2,0,0]=4 6200 B13R1.2431 COC(=O)c1cc(ccc1O)C#N 271570a_203496583355_100009817095 [0,2,0,0,0,0|1,0,1]=4 6201 B13R1.2431 COC(=O)c1cc(ccc1O)C=O 271570a_203496583355_100013328361 [0,2,0,0,0,0|1,0,0]=3 6202 B13R1.2431 COC(=O)c1cc(ccc1O)CN 271570a_203496583355_100016988414 [0,2,0,0,0,0|1,0,1]=4 6203 B13R1.2431 COC(=O)c1cc(ccc1O)OC 271570a_203496583355_100000151459 [0,2,0,0,0,0|1,0,1]=4 6204 B13R1.2431 COC(=O)c1cc(ccc1O)SC 62a_200000210301_100000149868 [0,2,0,0,0,0|1,0,1]=4 6205 B13R1.2431 COC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000149868 [0,2,0,0,0,0|1,0,1]=4 6206 B13R1.2900 C=C=Cc1cc(c(cc1Br)Br)OC 271570a_100015277604_200014006352 [0,2,0,0,0,0|1,0,0]=3 6207 B13R1.2900 C=C=Cc1cc(c(cc1C)F)OC 271570a_100015277604_100011009880 [0,2,0,0,0,0|1,0,0]=3 6208 B13R1.2900 C=C=Cc1cc(c(cc1C)N)OC 271570a_100015277604_100010141321 [0,2,0,0,0,0|1,0,0]=3 6209 B13R1.2900 C=C=Cc1cc(c(cc1F)Cl)OC 271570a_100015277604_100010739614 [0,2,0,0,0,0|1,0,0]=3 6210 B13R1.2900 C=C=Cc1cc(c(cc1F)F)OC 271570a_100015277604_200015541288 [0,2,0,0,0,0|1,0,0]=3 6211 B13R1.2900 C=C=Cc1cc(c(cc1F)N)NC 271570a_100015277604_100013631271 [0,2,0,0,0,0|2,0,0]=4 6212 B13R1.2900 C=C=Cc1cc(c(cc1F)N)OC 271570a_100015277604_100012766639 [0,2,0,0,0,0|1,0,0]=3 6213 B13R1.2900 C=C=Cc1cc(c(cc1F)O)C=O 271570a_100015277604_100010175118 [0,2,0,0,0,0|2,0,0]=4 6214 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [0,2,0,0,0,0|0,0,0]=2 6215 B13R1.2900 C=C=Cc1cc(c(cc1N)C)OC 271570a_100015277604_200010584344 [0,2,0,0,0,0|1,0,0]=3 6216 B13R1.2900 C=C=Cc1cc(c(cc1N)F)OC 271570a_100015277604_100010365326 [0,2,0,0,0,0|1,0,0]=3 6217 B13R1.2900 C=C=Cc1cc(c(cc1O)O)C=O 271570a_100015277604_200010132312 [0,2,0,0,0,0|2,0,0]=4 6218 B13R1.2900 C=C=Cc1cc(c(nc1C)N)OC 271570a_100015277604_200010892190 [0,2,0,0,0,0|2,0,0]=4 6219 B13R1.2900 C=Cc1cc(c(cc1F)F)SCC 62a_100000210202_100016015529 [0,2,0,0,0,0|1,1,0]=4 6220 B13R1.2900 C=Cc1cc(c(cc1F)F)SCC 62a_100016015529_100000210202 [0,2,0,0,0,0|1,1,0]=4 6221 B13R1.2900 C=Cc1cc(c(cc1F)F)SCF 62a_100015361967_100016015529 [0,2,0,0,0,0|1,1,0]=4 6222 B13R1.2900 C=Cc1cc(c(cc1F)F)SCF 62a_100016015529_100015361967 [0,2,0,0,0,0|1,1,0]=4 6223 B13R1.2900 CC=Cc1cc(c(cc1Br)Br)OC 271570a_100016259895_200014006352 [0,2,0,0,0,0|1,0,0]=3 6224 B13R1.2900 CC=Cc1cc(c(cc1C)F)OC 271570a_100016259895_100011009880 [0,2,0,0,0,0|1,0,0]=3 6225 B13R1.2900 CC=Cc1cc(c(cc1C)N)OC 271570a_100016259895_100010141321 [0,2,0,0,0,0|1,0,0]=3 6226 B13R1.2900 CC=Cc1cc(c(cc1F)Cl)OC 271570a_100016259895_100010739614 [0,2,0,0,0,0|1,0,0]=3 6227 B13R1.2900 CC=Cc1cc(c(cc1F)F)OC 271570a_100016259895_200015541288 [0,2,0,0,0,0|1,0,0]=3 6228 B13R1.2900 CC=Cc1cc(c(cc1F)N)NC 271570a_100016259895_100013631271 [0,2,0,0,0,0|2,0,0]=4 6229 B13R1.2900 CC=Cc1cc(c(cc1F)N)OC 271570a_100016259895_100012766639 [0,2,0,0,0,0|1,0,0]=3 6230 B13R1.2900 CC=Cc1cc(c(cc1F)O)C=O 271570a_100016259895_100010175118 [0,2,0,0,0,0|2,0,0]=4 6231 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [0,2,0,0,0,0|0,0,0]=2 6232 B13R1.2900 CC=Cc1cc(c(cc1N)C)OC 271570a_100016259895_200010584344 [0,2,0,0,0,0|1,0,0]=3 6233 B13R1.2900 CC=Cc1cc(c(cc1N)F)OC 271570a_100016259895_100010365326 [0,2,0,0,0,0|1,0,0]=3 6234 B13R1.2900 CC=Cc1cc(c(cc1O)O)C=O 271570a_100016259895_200010132312 [0,2,0,0,0,0|2,0,0]=4 6235 B13R1.2900 CC=Cc1cc(c(nc1C)N)OC 271570a_100016259895_200010892190 [0,2,0,0,0,0|2,0,0]=4 6236 B13R1.2900 CCOc1cc(c(cc1O)O)C#N 271570a_203496583355_100009814618 [0,2,0,0,0,0|1,0,1]=4 6237 B13R1.2900 CCOc1cc(c(cc1O)O)C=O 271570a_203496583355_100009812231 [0,2,0,0,0,0|1,0,0]=3 6238 B13R1.2900 CCSc1cc(c(cc1F)O)OC 62a_100000210202_100010189133 [0,2,0,0,0,0|0,0,2]=4 6239 B13R1.2900 CCSc1cc(c(cc1O)O)C=O 62a_100000210202_200010132312 [0,2,0,0,0,0|1,1,0]=4 6240 B13R1.2900 COc1cc(c(cc1O)F)SCF 62a_100015361967_100010189133 [0,2,0,0,0,0|1,0,1]=4 6241 B13R1.2900 O=Cc1cc(c(cc1O)O)SCF 62a_100015361967_200010132312 [0,2,0,0,0,0|1,1,0]=4 6242 B13R1.3981 C=Cc1cc(c(c(c1)OCC)F)F 271570a_100011290941_200012359421 [0,2,0,0,0,0|1,0,0]=3 6243 B13R1.3981 CC=Cc1cc(cc(c1O)F)C=O 271570a_100016259895_100010295671 [0,2,0,0,0,0|2,0,0]=4 6244 B13R1.3981 CCOc1cc(cc(c1O)O)C#N 271570a_203496583355_100000684219 [0,2,0,0,0,0|1,0,1]=4 6245 B13R1.3981 CCOc1cc(cc(c1O)O)C=O 271570a_203496583355_100000183328 [0,2,0,0,0,0|1,0,0]=3 6246 B13R1.3981 CCSc1cc(cc(c1O)F)C=O 62a_100000210202_100010295671 [0,2,0,0,0,0|1,1,0]=4 6247 B13R1.3981 CCSc1cc(cc(c1O)F)C=O 62a_100010295671_100000210202 [0,2,0,0,0,0|1,1,0]=4 6248 B13R1.3981 CCSc1cc(cc(c1O)O)C=O 62a_100000210202_100000687232 [0,2,0,0,0,0|1,1,0]=4 6249 B13R1.3981 O=Cc1cc(c(c(c1)SCF)O)F 62a_100010295671_100015361967 [0,2,0,0,0,0|1,1,0]=4 6250 B13R1.3981 O=Cc1cc(c(c(c1)SCF)O)F 62a_100015361967_100010295671 [0,2,0,0,0,0|1,1,0]=4 6251 B13R1.3981 O=Cc1cc(c(c(c1)SCF)O)O 62a_100015361967_100000687232 [0,2,0,0,0,0|1,1,0]=4 6252 B13R1.52 CC(=Cc1ccc(c(c1)C#N)O)C 271570a_100102525489_100000687585 [0,2,0,0,0,0|2,0,0]=4 6253 B13R1.52 CC(=Cc1ccc(c(c1)C=O)O)C 271570a_100102525489_100000186750 [0,2,0,0,0,0|2,0,0]=4 6254 B13R1.52 CC(=Cc1ccc(c(c1)CN)O)C 271570a_100102525489_100000730032 [0,2,0,0,0,0|2,0,0]=4 6255 B13R1.52 CC(=Cc1ccc(c(c1)CO)O)C 271570a_100102525489_100000184703 [0,2,0,0,0,0|2,0,0]=4 6256 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,2,0,0,0,0|0,1,1]=4 6257 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,2,0,0,0,0|0,1,1]=4 6258 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,2,0,0,0,0|1,0,1]=4 6259 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,2,0,0,0,0|1,0,1]=4 6260 B13R1.52 CCc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100010244631 [0,2,0,0,0,0|2,0,0]=4 6261 B13R1.52 CCc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010244625 [0,2,0,0,0,0|2,0,0]=4 6262 B13R1.52 CCc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000686106 [0,2,0,0,0,0|2,0,0]=4 6263 B13R1.52 CCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100012338938 [0,2,0,0,0,0|1,0,0]=3 6264 B13R1.52 CNc1cc(ccc1C)C=C(C)C 271570a_100102525489_100020629602 [0,2,0,0,0,0|2,0,0]=4 6265 B13R1.52 CNc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011314990 [0,2,0,0,0,0|2,0,0]=4 6266 B13R1.52 CNc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000694363 [0,2,0,0,0,0|2,0,0]=4 6267 B13R1.52 COc1cc(c[nH]c1=O)C=C(C)C 271570a_100102525489_100010125397 [0,2,0,0,0,0|1,0,1]=4 6268 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [0,2,0,0,0,0|1,0,0]=3 6269 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,2,0,0,0,0|1,0,1]=4 6270 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,2,0,0,0,0|1,0,1]=4 6271 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,2,0,0,0,0|1,0,1]=4 6272 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,2,0,0,0,0|1,0,1]=4 6273 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,2,0,0,0,0|1,0,1]=4 6274 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,2,0,0,0,0|1,0,1]=4 6275 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,2,0,0,0,0|1,0,1]=4 6276 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [0,2,0,0,0,0|1,0,0]=3 6277 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,2,0,0,0,0|1,0,1]=4 6278 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,2,0,0,0,0|1,0,1]=4 6279 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,2,0,0,0,0|1,0,1]=4 6280 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,2,0,0,0,0|1,0,1]=4 6281 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [0,2,0,0,0,0|1,0,0]=3 6282 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,2,0,0,0,0|1,0,1]=4 6283 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,2,0,0,0,0|1,0,1]=4 6284 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,2,0,0,0,0|1,0,1]=4 6285 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,2,0,0,0,0|1,0,1]=4 6286 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,2,0,0,0,0|1,0,1]=4 6287 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,2,0,0,0,0|1,0,1]=4 6288 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,2,0,0,0,0|1,0,1]=4 6289 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [0,2,0,0,0,0|1,0,0]=3 6290 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,2,0,0,0,0|1,0,1]=4 6291 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,2,0,0,0,0|1,0,1]=4 6292 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,2,0,0,0,0|1,0,1]=4 6293 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,2,0,0,0,0|1,0,1]=4 6294 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,2,0,0,0,0|1,0,1]=4 6295 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,2,0,0,0,0|1,0,1]=4 6296 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,2,0,0,0,0|1,0,1]=4 6297 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,2,0,0,0,0|1,0,1]=4 6298 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,2,0,0,0,0|1,0,1]=4 6299 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,2,0,0,0,0|1,0,1]=4 6300 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,2,0,0,0,0|1,0,1]=4 6301 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [0,2,0,0,0,0|1,0,0]=3 6302 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,2,0,0,0,0|0,0,0]=2 6303 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,2,0,0,0,0|0,0,1]=3 6304 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,2,0,0,0,0|0,0,1]=3 6305 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,2,0,0,0,0|0,0,1]=3 6306 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,2,0,0,0,0|0,0,1]=3 6307 B13R1.52 COc1cc(ccc1O)NC(C)C 34a_100000726020_100000210206 [0,2,0,0,0,0|0,0,2]=4 6308 B13R1.52 COc1cc(ccc1O)SC(C)C 62a_100000210206_100000694246 [0,2,0,0,0,0|0,0,2]=4 6309 B13R1.52 COc1cc(cnc1C)C=C(C)C 271570a_100102525489_100010254219 [0,2,0,0,0,0|2,0,0]=4 6310 B13R1.52 COc1cc(cnc1F)C=C(C)C 271570a_100102525489_100010214931 [0,2,0,0,0,0|2,0,0]=4 6311 B13R1.52 COc1cc(cnc1N)C=C(C)C 271570a_100102525489_106354213024 [0,2,0,0,0,0|2,0,0]=4 6312 B13R1.52 COc1cc(ncc1C)C=C(C)C 271570a_100102525489_100010067687 [0,2,0,0,0,0|2,0,0]=4 6313 B13R1.52 COc1cc(ncc1F)C=C(C)C 271570a_100102525489_200010136270 [0,2,0,0,0,0|2,0,0]=4 6314 B13R1.52 COc1cc(ncc1N)C=C(C)C 271570a_100102525489_100009887741 [0,2,0,0,0,0|2,0,0]=4 6315 B13R1.52 COc1nc(ccc1N)C=C(C)C 271570a_100102525489_100000687816 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.52 COc1nc(ccc1O)C=C(C)C 271570a_100102525489_100010893133 [0,2,0,0,0,0|1,0,0]=3 6317 B13R1.52 COc1nc(cnc1O)C=C(C)C 271570a_100102525489_200010365344 [0,2,0,0,0,0|2,0,0]=4 6318 B13R1.52 CSc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010341305 [0,2,0,0,0,0|1,1,0]=4 6319 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,2,0,0,0,0|0,1,1]=4 6320 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,2,0,0,0,0|0,1,1]=4 6321 B13R1.387 C=C=Cc1ccc(c(c1)B(O)O)O 271570a_100015277604_200009814749 [0,2,0,0,0,0|2,0,0]=4 6322 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)C 271570a_100015277604_100012706819 [0,2,0,0,0,0|2,0,0]=4 6323 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100015277604_100010712560 [0,2,0,0,0,0|2,0,0]=4 6324 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)F 271570a_100015277604_100000689017 [0,2,0,0,0,0|2,0,0]=4 6325 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)N 271570a_100015277604_100000695420 [0,2,0,0,0,0|2,0,0]=4 6326 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)O 271570a_100015277604_100000212127 [0,2,0,0,0,0|1,0,0]=3 6327 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)N)O 271570a_100015277604_100000192807 [0,2,0,0,0,0|2,0,0]=4 6328 B13R1.387 C=C=Cc1ccc(c(c1)C(C)C)F 271570a_100015277604_200053017515 [0,2,0,0,0,0|2,0,0]=4 6329 B13R1.387 C=C=Cc1ccc(c(c1)C(C)C)N 271570a_100015277604_100000694223 [0,2,0,0,0,0|2,0,0]=4 6330 B13R1.387 C=C=Cc1ccc(c(c1)C(C)C)O 271570a_100015277604_100000691460 [0,2,0,0,0,0|1,0,0]=3 6331 B13R1.387 C=C=Cc1ccc(c(c1)C(C)O)F 271570a_100015277604_100011943926 [0,2,0,0,0,0|2,0,0]=4 6332 B13R1.387 C=C=Cc1ccc(c(c1)N(C)C)F 271570a_100015277604_100010288836 [0,2,0,0,0,0|2,0,0]=4 6333 B13R1.387 CC=Cc1ccc(c(c1)B(O)O)O 271570a_100016259895_200009814749 [0,2,0,0,0,0|2,0,0]=4 6334 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)C 271570a_100016259895_100012706819 [0,2,0,0,0,0|2,0,0]=4 6335 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100016259895_100010712560 [0,2,0,0,0,0|2,0,0]=4 6336 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)F 271570a_100016259895_100000689017 [0,2,0,0,0,0|2,0,0]=4 6337 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)N 271570a_100016259895_100000695420 [0,2,0,0,0,0|2,0,0]=4 6338 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,2,0,0,0,0|1,0,0]=3 6339 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016259895_100000192807 [0,2,0,0,0,0|2,0,0]=4 6340 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)F 271570a_100016259895_200053017515 [0,2,0,0,0,0|2,0,0]=4 6341 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)N 271570a_100016259895_100000694223 [0,2,0,0,0,0|2,0,0]=4 6342 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)O 271570a_100016259895_100000691460 [0,2,0,0,0,0|1,0,0]=3 6343 B13R1.387 CC=Cc1ccc(c(c1)C(C)O)F 271570a_100016259895_100011943926 [0,2,0,0,0,0|2,0,0]=4 6344 B13R1.387 CC=Cc1ccc(c(c1)N(C)C)F 271570a_100016259895_100010288836 [0,2,0,0,0,0|2,0,0]=4 6345 B13R1.575 C#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000184674 [0,2,0,0,0,0|0,0,2]=4 6346 B13R1.575 C#CCSc1ccc(c(c1)OC)O 62a_100000038162_100000694246 [0,2,0,0,0,0|0,0,2]=4 6347 B13R1.575 C=CCNc1ccc(c(c1)C#N)O 34a_100011249283_100015514636 [0,2,0,0,0,0|2,0,0]=4 6348 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000210623 [0,2,0,0,0,0|2,0,0]=4 6349 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 34a_100010109747_100015514636 [0,2,0,0,0,0|2,0,0]=4 6350 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 7a_100010109747_100015514636 [0,2,0,0,0,0|2,0,0]=4 6351 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210623 [0,2,0,0,0,0|1,0,0]=3 6352 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100015514636 [0,2,0,0,0,0|1,0,0]=3 6353 B13R1.575 C=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210623 [0,2,0,0,0,0|1,0,0]=3 6354 B13R1.575 C=CCNc1ccc(c(c1)OC)C 34a_100011279678_100015514636 [0,2,0,0,0,0|1,0,0]=3 6355 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210623 [0,2,0,0,0,0|1,0,0]=3 6356 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100015514636 [0,2,0,0,0,0|1,0,0]=3 6357 B13R1.575 C=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210623 [0,2,0,0,0,0|1,0,0]=3 6358 B13R1.575 C=CCNc1ccc(c(c1)OC)F 34a_100000701188_100015514636 [0,2,0,0,0,0|1,0,0]=3 6359 B13R1.575 C=CCNc1ccc(c(c1)OC)I 34a_100000746945_100015514636 [0,2,0,0,0,0|1,0,0]=3 6360 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [0,2,0,0,0,0|0,0,0]=2 6361 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100015514636 [0,2,0,0,0,0|2,0,0]=4 6362 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100015514636 [0,2,0,0,0,0|2,0,0]=4 6363 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100015514636 [0,2,0,0,0,0|1,0,0]=3 6364 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100015514636 [0,2,0,0,0,0|1,0,0]=3 6365 B13R1.575 C=CCOc1ccc(c(c1)OC)C 34a_100009865632_100015514636 [0,2,0,0,0,0|1,0,0]=3 6366 B13R1.575 C=CCOc1ccc(c(c1)OC)C 7a_100009865632_100015514636 [0,2,0,0,0,0|1,0,0]=3 6367 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100015514636 [0,2,0,0,0,0|1,0,0]=3 6368 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100015514636 [0,2,0,0,0,0|1,0,0]=3 6369 B13R1.575 C=CCOc1ccc(c(c1)OC)F 34a_100012001760_100015514636 [0,2,0,0,0,0|1,0,0]=3 6370 B13R1.575 C=CCOc1ccc(c(c1)OC)F 7a_100012001760_100015514636 [0,2,0,0,0,0|1,0,0]=3 6371 B13R1.575 C=CCOc1ccc(c(c1)OC)N 34a_100015326901_100015514636 [0,2,0,0,0,0|1,0,0]=3 6372 B13R1.575 C=CCOc1ccc(c(c1)OC)N 7a_100015326901_100015514636 [0,2,0,0,0,0|1,0,0]=3 6373 B13R1.575 C=CCSc1c[nH]c(=O)c(c1)OC 62a_100000210623_100010125397 [0,2,0,0,0,0|1,0,1]=4 6374 B13R1.575 C=CCSc1cc(c(cn1)C)OC 62a_100000210623_100010067687 [0,2,0,0,0,0|2,0,0]=4 6375 B13R1.575 C=CCSc1cc(c(cn1)C)OC 62a_100010067687_100000210623 [0,2,0,0,0,0|2,0,0]=4 6376 B13R1.575 C=CCSc1cc(c(cn1)F)OC 62a_100000210623_200010136270 [0,2,0,0,0,0|2,0,0]=4 6377 B13R1.575 C=CCSc1cc(c(cn1)F)OC 62a_200010136270_100000210623 [0,2,0,0,0,0|2,0,0]=4 6378 B13R1.575 C=CCSc1cc(c(cn1)N)OC 62a_100000210623_100009887741 [0,2,0,0,0,0|2,0,0]=4 6379 B13R1.575 C=CCSc1cc(c(cn1)N)OC 62a_100009887741_100000210623 [0,2,0,0,0,0|2,0,0]=4 6380 B13R1.575 C=CCSc1ccc(c(c1)C#N)O 62a_100000210623_100000687585 [0,2,0,0,0,0|2,0,0]=4 6381 B13R1.575 C=CCSc1ccc(c(c1)C=O)O 62a_100000210623_100000186750 [0,2,0,0,0,0|2,0,0]=4 6382 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100000210623_100010244631 [0,2,0,0,0,0|2,0,0]=4 6383 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000210623 [0,2,0,0,0,0|2,0,0]=4 6384 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100000210623_100010244625 [0,2,0,0,0,0|2,0,0]=4 6385 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100010244625_100000210623 [0,2,0,0,0,0|2,0,0]=4 6386 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000210623_100000686106 [0,2,0,0,0,0|2,0,0]=4 6387 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000686106_100000210623 [0,2,0,0,0,0|2,0,0]=4 6388 B13R1.575 C=CCSc1ccc(c(c1)CC)O 62a_100000210623_100012338938 [0,2,0,0,0,0|1,0,0]=3 6389 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000210623_100000730032 [0,2,0,0,0,0|2,0,0]=4 6390 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000730032_100000210623 [0,2,0,0,0,0|2,0,0]=4 6391 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000184703_100000210623 [0,2,0,0,0,0|2,0,0]=4 6392 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000210623_100000184703 [0,2,0,0,0,0|2,0,0]=4 6393 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100000210623_100020629602 [0,2,0,0,0,0|2,0,0]=4 6394 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100020629602_100000210623 [0,2,0,0,0,0|2,0,0]=4 6395 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100000210623_100011314990 [0,2,0,0,0,0|2,0,0]=4 6396 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100011314990_100000210623 [0,2,0,0,0,0|2,0,0]=4 6397 B13R1.575 C=CCSc1ccc(c(c1)NC)N 62a_100000694363_100000210623 [0,2,0,0,0,0|2,0,0]=4 6398 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100000210623_100012353699 [0,2,0,0,0,0|1,0,0]=3 6399 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210623 [0,2,0,0,0,0|1,0,0]=3 6400 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100000210623_100011830276 [0,2,0,0,0,0|1,0,0]=3 6401 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210623 [0,2,0,0,0,0|1,0,0]=3 6402 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100000210623_100011356853 [0,2,0,0,0,0|1,0,0]=3 6403 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210623 [0,2,0,0,0,0|1,0,0]=3 6404 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100000210623_100011934186 [0,2,0,0,0,0|1,0,0]=3 6405 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210623 [0,2,0,0,0,0|1,0,0]=3 6406 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100000210623_100015196925 [0,2,0,0,0,0|1,0,0]=3 6407 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210623 [0,2,0,0,0,0|1,0,0]=3 6408 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [0,2,0,0,0,0|0,0,0]=2 6409 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100000210623_100010341305 [0,2,0,0,0,0|1,1,0]=4 6410 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100010341305_100000210623 [0,2,0,0,0,0|1,1,0]=4 6411 B13R1.575 C=CCSc1ccc(c(n1)OC)N 62a_100000210623_100000687816 [0,2,0,0,0,0|2,0,0]=4 6412 B13R1.575 C=CCSc1ccc(c(n1)OC)N 62a_100000687816_100000210623 [0,2,0,0,0,0|2,0,0]=4 6413 B13R1.575 C=CCSc1ccc(c(n1)OC)O 62a_100000210623_100010893133 [0,2,0,0,0,0|1,0,0]=3 6414 B13R1.575 C=CCSc1cnc(c(c1)OC)C 62a_100000210623_100010254219 [0,2,0,0,0,0|2,0,0]=4 6415 B13R1.575 C=CCSc1cnc(c(c1)OC)C 62a_100010254219_100000210623 [0,2,0,0,0,0|2,0,0]=4 6416 B13R1.575 C=CCSc1cnc(c(c1)OC)F 62a_100000210623_100010214931 [0,2,0,0,0,0|2,0,0]=4 6417 B13R1.575 C=CCSc1cnc(c(c1)OC)F 62a_100010214931_100000210623 [0,2,0,0,0,0|2,0,0]=4 6418 B13R1.575 C=CCSc1cnc(c(c1)OC)N 62a_100000210623_106354213024 [0,2,0,0,0,0|2,0,0]=4 6419 B13R1.575 C=CCSc1cnc(c(c1)OC)N 62a_106354213024_100000210623 [0,2,0,0,0,0|2,0,0]=4 6420 B13R1.575 C=CCSc1cnc(c(n1)OC)O 62a_100000210623_200010365344 [0,2,0,0,0,0|2,0,0]=4 6421 B13R1.575 C=CCSc1cnc(c(n1)OC)O 62a_200010365344_100000210623 [0,2,0,0,0,0|2,0,0]=4 6422 B13R1.575 CC=NNc1ccc(c(c1)OC)F 4a_102515433066_200000210099 [0,2,0,0,0,0|1,0,1]=4 6423 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [0,2,0,0,0,0|0,0,2]=4 6424 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [0,2,0,0,0,0|0,0,2]=4 6425 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [0,2,0,0,0,0|0,0,2]=4 6426 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [0,2,0,0,0,0|0,0,2]=4 6427 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [0,2,0,0,0,0|1,0,1]=4 6428 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [0,2,0,0,0,0|0,0,2]=4 6429 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [0,2,0,0,0,0|0,0,2]=4 6430 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [0,2,0,0,0,0|0,0,2]=4 6431 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [0,2,0,0,0,0|0,0,2]=4 6432 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [0,2,0,0,0,0|1,0,1]=4 6433 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [0,2,0,0,0,0|1,0,1]=4 6434 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [0,2,0,0,0,0|1,0,1]=4 6435 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [0,2,0,0,0,0|1,0,1]=4 6436 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [0,2,0,0,0,0|1,0,1]=4 6437 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [0,2,0,0,0,0|1,0,1]=4 6438 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [0,2,0,0,0,0|1,0,1]=4 6439 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [0,2,0,0,0,0|1,0,1]=4 6440 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [0,2,0,0,0,0|1,0,1]=4 6441 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [0,2,0,0,0,0|1,0,1]=4 6442 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [0,2,0,0,0,0|1,0,1]=4 6443 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [0,2,0,0,0,0|1,0,1]=4 6444 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [0,2,0,0,0,0|1,0,1]=4 6445 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [0,2,0,0,0,0|1,0,1]=4 6446 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [0,2,0,0,0,0|1,0,1]=4 6447 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [0,2,0,0,0,0|1,0,1]=4 6448 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [0,2,0,0,0,0|1,0,1]=4 6449 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [0,2,0,0,0,0|1,0,1]=4 6450 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [0,2,0,0,0,0|1,0,1]=4 6451 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [0,2,0,0,0,0|1,0,1]=4 6452 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [0,2,0,0,0,0|1,0,1]=4 6453 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [0,2,0,0,0,0|1,0,1]=4 6454 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [0,2,0,0,0,0|1,0,1]=4 6455 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [0,2,0,0,0,0|1,0,1]=4 6456 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [0,2,0,0,0,0|1,0,1]=4 6457 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [0,2,0,0,0,0|1,0,1]=4 6458 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [0,2,0,0,0,0|1,0,1]=4 6459 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [0,2,0,0,0,0|1,0,1]=4 6460 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [0,2,0,0,0,0|1,0,1]=4 6461 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [0,2,0,0,0,0|0,0,2]=4 6462 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [0,2,0,0,0,0|0,0,2]=4 6463 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [0,2,0,0,0,0|0,0,2]=4 6464 B13R1.575 COc1cc(ccc1O)CNCF 34a_100000185554_100015361967 [0,2,0,0,0,0|0,0,2]=4 6465 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [0,2,0,0,0,0|0,0,1]=3 6466 B13R1.575 COc1cc(ccc1O)NCCF 34a_100000726020_100011217306 [0,2,0,0,0,0|0,0,2]=4 6467 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [0,2,0,0,0,0|0,0,2]=4 6468 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [0,2,0,0,0,0|0,0,2]=4 6469 B13R1.575 COc1cc(ccc1O)SCC#N 62a_100011215382_100000694246 [0,2,0,0,0,0|0,0,2]=4 6470 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [0,2,0,0,0,0|0,0,1]=3 6471 B13R1.575 COc1cc(ccc1O)SCCF 62a_100011217306_100000694246 [0,2,0,0,0,0|0,0,2]=4 6472 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [0,2,0,0,0,0|0,0,2]=4 6473 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [0,2,0,0,0,0|0,0,2]=4 6474 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [0,2,0,0,0,0|1,0,1]=4 6475 B13R1.1255 C=C=Cc1ccc(c(c1F)OC)Cl 271570a_100015277604_200135222481 [0,2,0,0,0,0|1,0,0]=3 6476 B13R1.1255 C=C=Cc1ccc(c(c1F)OC)N 271570a_100015277604_100010734149 [0,2,0,0,0,0|1,0,0]=3 6477 B13R1.1255 C=C=Cc1ccc(c(c1F)SC)F 271570a_100015277604_202125771753 [0,2,0,0,0,0|1,1,0]=4 6478 B13R1.1255 CC=Cc1ccc(c(c1F)OC)Cl 271570a_100016259895_200135222481 [0,2,0,0,0,0|1,0,0]=3 6479 B13R1.1255 CC=Cc1ccc(c(c1F)OC)N 271570a_100016259895_100010734149 [0,2,0,0,0,0|1,0,0]=3 6480 B13R1.1255 CC=Cc1ccc(c(c1F)SC)F 271570a_100016259895_202125771753 [0,2,0,0,0,0|1,1,0]=4 6481 B13R1.4030 C=C=Cc1cc(c(c(c1)C#N)O)C 271570a_100015277604_100010195408 [0,2,0,0,0,0|2,0,0]=4 6482 B13R1.4030 C=C=Cc1cc(c(c(c1)C=O)O)F 271570a_100015277604_100011217654 [0,2,0,0,0,0|2,0,0]=4 6483 B13R1.4030 C=C=Cc1cc(c(c(c1)CC)N)C 271570a_100015277604_200000186424 [0,2,0,0,0,0|2,0,0]=4 6484 B13R1.4030 C=C=Cc1cc(c(c(c1)CC)O)C 271570a_100015277604_100010659108 [0,2,0,0,0,0|1,0,0]=3 6485 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)C 271570a_100015277604_100010271686 [0,2,0,0,0,0|1,0,0]=3 6486 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)F 271570a_100015277604_100011218012 [0,2,0,0,0,0|1,0,0]=3 6487 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)O 271570a_100015277604_200015524394 [0,2,0,0,0,0|1,0,0]=3 6488 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)N)C 271570a_100015277604_100000741850 [0,2,0,0,0,0|1,0,0]=3 6489 B13R1.4030 CC=Cc1cc(c(c(c1)C#N)O)C 271570a_100016259895_100010195408 [0,2,0,0,0,0|2,0,0]=4 6490 B13R1.4030 CC=Cc1cc(c(c(c1)C=O)O)F 271570a_100016259895_100011217654 [0,2,0,0,0,0|2,0,0]=4 6491 B13R1.4030 CC=Cc1cc(c(c(c1)CC)N)C 271570a_100016259895_200000186424 [0,2,0,0,0,0|2,0,0]=4 6492 B13R1.4030 CC=Cc1cc(c(c(c1)CC)O)C 271570a_100016259895_100010659108 [0,2,0,0,0,0|1,0,0]=3 6493 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)C 271570a_100016259895_100010271686 [0,2,0,0,0,0|1,0,0]=3 6494 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)F 271570a_100016259895_100011218012 [0,2,0,0,0,0|1,0,0]=3 6495 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)O 271570a_100016259895_200015524394 [0,2,0,0,0,0|1,0,0]=3 6496 B13R1.4030 CC=Cc1cc(c(c(c1)OC)N)C 271570a_100016259895_100000741850 [0,2,0,0,0,0|1,0,0]=3 6497 B13R1.4030 CCSc1cc(c(c(c1)OC)O)O 62a_100000210202_200159242197 [0,2,0,0,0,0|0,0,2]=4 6498 B13R1.4030 COc1cc(cc(c1O)O)SCF 62a_100015361967_200159242197 [0,2,0,0,0,0|1,0,1]=4 6499 B13R1.433 C=Cc1cc(c(c(c1)CC)N)CC 271570a_100011290941_100011216614 [0,2,0,0,0,0|2,0,0]=4 6500 B13R1.433 C=Cc1cc(c(c(c1)OC)F)OC 271570a_100011290941_100015304952 [0,2,0,0,0,0|1,0,0]=3 6501 B13R1.433 C=Cc1cc(c(c(c1)OC)N)C#N 271570a_100011290941_200010734157 [0,2,0,0,0,0|1,0,0]=3 6502 B13R1.433 C=Cc1cc(c(c(c1)OC)N)CO 271570a_100011290941_100010235085 [0,2,0,0,0,0|1,0,0]=3 6503 B13R1.433 C=Cc1cc(c(c(c1)OC)O)CO 271570a_100011290941_100000185604 [0,2,0,0,0,0|0,0,0]=2 6504 B13R1.433 C=Cc1cc(c(c(c1)OC)O)OC 271570a_100011290941_100000691893 [0,2,0,0,0,0|0,0,0]=2 6505 B13R1.433 C=Cc1cc(cc(c1O)OC)C#N 271570a_100011290941_100000188612 [0,2,0,0,0,0|1,0,1]=4 6506 B13R1.433 C=Cc1cc(cc(c1O)OC)C=O 271570a_100011290941_100000184534 [0,2,0,0,0,0|1,0,0]=3 6507 B13R1.433 C=Cc1cc(cc(c1O)OC)CO 271570a_100011290941_200000022573 [0,2,0,0,0,0|1,0,1]=4 6508 B13R1.433 COc1cc(c(c(c1)OC)O)OC 271570a_203496583355_100000186544 [0,2,0,0,0,0|1,0,1]=4 6509 B13R1.433 COc1cc(cc(c1O)C=O)SC 62a_200000210301_100000047136 [0,2,0,0,0,0|1,0,1]=4 6510 B13R1.433 COc1cc(cc(c1O)C=O)S[13CH3] 62a_200025704644_100000047136 [0,2,0,0,0,0|1,0,1]=4 6511 B13R1.433 COc1cc(cc(c1O)CO)SC 62a_200000210301_100000185604 [0,2,0,0,0,0|1,0,1]=4 6512 B13R1.433 COc1cc(cc(c1O)CO)S[13CH3] 62a_200025704644_100000185604 [0,2,0,0,0,0|1,0,1]=4 6513 B13R1.433 COc1cc(cc(c1O)OC)CO 271570a_203496583355_100010169844 [0,2,0,0,0,0|1,0,1]=4 6514 B13R1.433 COc1cc(cc(c1O)SC)C#N 62a_200000210301_100000188612 [0,2,0,0,0,0|1,0,1]=4 6515 B13R1.433 COc1cc(cc(c1O)SC)C=O 62a_200000210301_100000184534 [0,2,0,0,0,0|1,0,0]=3 6516 B13R1.433 COc1cc(cc(c1O)SC)CO 62a_200000210301_200000022573 [0,2,0,0,0,0|1,0,1]=4 6517 B13R1.433 COc1cc(cc(c1O)S[13CH3])C#N 62a_200025704644_100000188612 [0,2,0,0,0,0|1,0,1]=4 6518 B13R1.433 COc1cc(cc(c1O)S[13CH3])C=O 62a_200025704644_100000184534 [0,2,0,0,0,0|1,0,0]=3 6519 B13R1.433 COc1cc(cc(c1O)S[13CH3])CO 62a_200025704644_200000022573 [0,2,0,0,0,0|1,0,1]=4 6520 B13R1.437 C=C(C)c1cc(cc(c1O)F)C=O 271570a_100000694244_100010295671 [0,2,0,0,0,0|2,0,0]=4 6521 B13R1.98 C=Cc1ccc(c(c1)C(C)(C)C)N 271570a_100011290941_100010286096 [0,2,0,0,0,0|2,0,0]=4 6522 B13R1.98 C=Cc1ccc(c(c1)C(C)(C)C)O 271570a_100011290941_100000704011 [0,2,0,0,0,0|1,0,0]=3 6523 B13R1.98 C=Cc1ccc(c(c1)C(C)(C)O)F 271570a_100011290941_100012636306 [0,2,0,0,0,0|2,0,0]=4 6524 B13R1.98 C=Cc1ccc(c(c1)C(C)(F)F)F 271570a_100011290941_100011004755 [0,2,0,0,0,0|2,0,0]=4 6525 B13R1.98 C=Cc1ccc(c(c1)C(F)(F)F)O 271570a_100011290941_100000693511 [0,2,0,0,0,0|2,0,0]=4 6526 B13R1.98 C=Cc1ccc(c(c1)S(=O)(=O)C)Br 271570a_100011290941_100011102953 [0,2,0,0,0,0|1,1,0]=4 6527 B13R1.98 C=Cc1ccc(c(c1)S(=O)(=O)C)C 271570a_100011290941_100009814363 [0,2,0,0,0,0|1,1,0]=4 6528 B13R1.98 C=Cc1ccc(c(c1)S(=O)(=O)C)F 271570a_100011290941_100010195686 [0,2,0,0,0,0|1,1,0]=4 6529 B13R1.98 C=Cc1ccc(c(c1)S(=O)(=O)C)N 271570a_100011290941_100000692581 [0,2,0,0,0,0|1,1,0]=4 6530 B13R1.98 C=Cc1ccc(c(c1)S(=O)(=O)C)O 271570a_100011290941_200015712519 [0,2,0,0,0,0|0,1,0]=3 6531 B13R1.2277 COc1ccc(c(c1OC)OC)O 271570a_203496583355_100011320274 [0,2,0,0,0,0|1,0,1]=4 6532 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [0,0,1,1,0,0|0,0,0]=2 6533 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,0,1,1,0,0|0,0,2]=4 6534 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,0,1,1,0,0|1,0,1]=4 6535 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,0,1,1,0,0|1,0,1]=4 6536 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [0,0,1,1,0,0|1,0,1]=4 6537 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [0,0,1,1,0,0|1,0,1]=4 6538 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [0,0,1,1,0,0|1,0,1]=4 6539 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [0,0,1,1,0,0|1,0,1]=4 6540 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [0,0,1,1,0,0|1,0,1]=4 6541 B11R1.44 C=Cc1ccc([nH]1)C(=O)OC 271570a_100011290941_100000687774 [0,0,1,1,0,0|2,0,0]=4 6542 B11R1.44 C=Cc1ccc(o1)C(=O)NC 271570a_100011290941_100000159859 [0,0,1,1,0,0|2,0,0]=4 6543 B11R1.44 C=Cc1ccc(o1)C(=O)OC 271570a_100011290941_100000148852 [0,0,1,1,0,0|1,0,0]=3 6544 B11R1.44 C=Cc1ccc(s1)C(=O)OC 271570a_100011290941_100000148107 [0,0,1,1,0,0|1,1,0]=4 6545 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [0,0,1,1,0,0|2,0,0]=4 6546 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [0,0,1,1,0,0|1,0,1]=4 6547 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [0,0,1,1,0,0|1,0,1]=4 6548 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [0,0,1,1,0,0|1,0,1]=4 6549 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [0,0,1,1,0,0|1,0,1]=4 6550 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [0,0,1,1,0,0|1,0,1]=4 6551 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [0,0,1,1,0,0|1,0,1]=4 6552 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [1,0,0,1,0,0|2,0,0]=4 6553 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|2,0,0]=4 6554 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,1,0,0|1,0,0]=3 6555 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|1,0,0]=3 6556 B13R2.430 C=C(C)c1cc2c(cn1)OCC2 271570a_100000694244_102495363667 [0,1,0,1,0,0|2,0,0]=4 6557 B13R2.430 C=C(C)c1ccc2c(c1)CCC2 271570a_100000694244_100000745594 [0,1,0,1,0,0|2,0,0]=4 6558 B13R2.430 C=C(C)c1ccc2c(c1)CCN2 271570a_100000694244_100000026929 [0,1,0,1,0,0|2,0,0]=4 6559 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [0,1,0,1,0,0|1,0,0]=3 6560 B13R2.430 C=C(C)c1ccc2c(c1)NCC2 271570a_100000694244_100000754641 [0,1,0,1,0,0|2,0,0]=4 6561 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [0,1,0,1,0,0|1,0,0]=3 6562 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,1,0,1,0,0|0,0,0]=2 6563 B13R2.430 C=C(C)c1ccc2ccoc2c1 271570a_100000694244_100000759542 [0,1,0,1,0,0|1,0,1]=4 6564 B13R2.430 C=C(C)c1ccc2cnoc2c1 271570a_100000694244_100009817722 [0,1,0,1,0,0|2,0,0]=4 6565 B13R2.430 C=C(C)c1ccc2ncoc2c1 271570a_100000694244_100009817590 [0,1,0,1,0,0|1,0,1]=4 6566 B13R2.430 C=C(C)c1ccc2occc2c1 271570a_100000694244_100012343831 [0,1,0,1,0,0|1,0,1]=4 6567 B13R2.430 C=C(C)c1ccc2ocnc2c1 271570a_100000694244_100009816175 [0,1,0,1,0,0|1,0,1]=4 6568 B13R2.430 C=C(C)c1ccc2oncc2c1 271570a_100000694244_100009817723 [0,1,0,1,0,0|2,0,0]=4 6569 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,1,0,1,0,0|1,0,1]=4 6570 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|0,0,1]=3 6571 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,1,0,1,0,0|1,0,1]=4 6572 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|0,0,1]=3 6573 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [0,1,0,1,0,0|0,0,2]=4 6574 B13R2.57 C=Cc1ccc2c(c1)CCCC2 271570a_100011290941_100011221367 [0,1,0,1,0,0|2,0,0]=4 6575 B13R2.57 C=Cc1ccc2c(c1)CCCN2 271570a_100011290941_100016994925 [0,1,0,1,0,0|2,0,0]=4 6576 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [0,1,0,1,0,0|1,0,0]=3 6577 B13R2.57 C=Cc1ccc2c(c1)CCNC2 271570a_100011290941_100000686056 [0,1,0,1,0,0|2,0,0]=4 6578 B13R2.57 C=Cc1ccc2c(c1)CNCC2 271570a_100011290941_100015189961 [0,1,0,1,0,0|2,0,0]=4 6579 B13R2.57 C=Cc1ccc2c(c1)COCC2 271570a_100011290941_100010128096 [0,1,0,1,0,0|1,0,0]=3 6580 B13R2.57 C=Cc1ccc2c(c1)NCCC2 271570a_100011290941_100010196366 [0,1,0,1,0,0|2,0,0]=4 6581 B13R2.57 C=Cc1ccc2c(c1)NCCO2 271570a_100011290941_100000708519 [0,1,0,1,0,0|1,0,0]=3 6582 B13R2.57 C=Cc1ccc2c(c1)NCCS2 271570a_100011290941_100013243616 [0,1,0,1,0,0|1,1,0]=4 6583 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [0,1,0,1,0,0|1,0,0]=3 6584 B13R2.57 C=Cc1ccc2c(c1)OCCN2 271570a_100011290941_100012355470 [0,1,0,1,0,0|1,0,0]=3 6585 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [0,1,0,1,0,0|0,0,0]=2 6586 B13R2.57 C=Cc1ccc2c(n1)NCCO2 271570a_100011290941_100010209492 [0,1,0,1,0,0|2,0,0]=4 6587 B13R2.57 C=Cc1cnc2c(c1)CCCO2 271570a_100011290941_100010109689 [0,1,0,1,0,0|2,0,0]=4 6588 B13R2.57 C=Cc1cnc2c(c1)NCCO2 271570a_100011290941_100000700286 [0,1,0,1,0,0|2,0,0]=4 6589 B13R2.57 C=Cc1cnc2c(c1)OCCN2 271570a_100011290941_100009816924 [0,1,0,1,0,0|2,0,0]=4 6590 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [0,1,0,1,0,0|1,0,1]=4 6591 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [0,1,0,1,0,0|1,0,1]=4 6592 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,1,0,1,0,0|1,0,1]=4 6593 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [0,1,0,1,0,0|1,0,1]=4 6594 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [0,1,0,1,0,0|1,0,1]=4 6595 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [0,1,0,1,0,0|1,0,1]=4 6596 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [0,1,0,1,0,0|1,0,1]=4 6597 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,1,0,1,0,0|1,0,1]=4 6598 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [0,1,0,1,0,0|1,0,1]=4 6599 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [0,1,0,1,0,0|1,0,1]=4 6600 B13R2.669 C=Cc1ccc2[nH]cc(c2c1)C 271570a_100011290941_100009816687 [0,1,0,1,0,0|2,0,0]=4 6601 B13R2.669 C=Cc1ccc2[nH]nc(c2c1)C 271570a_100011290941_100102524909 [0,1,0,1,0,0|2,0,0]=4 6602 B13R2.669 C=Cc1ccc2c(c1)C(=O)CC2 271570a_100011290941_100000759401 [0,1,0,1,0,0|2,0,0]=4 6603 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [0,1,0,1,0,0|1,0,0]=3 6604 B13R2.669 C=Cc1ccc2c(c1)C(=O)OC2 271570a_100011290941_100000693025 [0,1,0,1,0,0|2,0,0]=4 6605 B13R2.669 C=Cc1ccc2c(c1)C(CC2)N 271570a_100011290941_100011435097 [0,1,0,1,0,0|2,0,0]=4 6606 B13R2.669 C=Cc1ccc2c(c1)C(CC2)O 271570a_100011290941_100011836024 [0,1,0,1,0,0|2,0,0]=4 6607 B13R2.669 C=Cc1ccc2ccn(c2c1)C 271570a_100011290941_100011934912 [0,1,0,1,0,0|2,0,0]=4 6608 B13R2.669 C=Cc1ccc2cnn(c2c1)C 271570a_100011290941_100009817177 [0,1,0,1,0,0|2,0,0]=4 6609 B13R2.669 C=Cc1ccc2ncn(c2c1)C 271570a_100011290941_100000702186 [0,1,0,1,0,0|2,0,0]=4 6610 B13R2.669 C=Cc1ccc2nnn(c2c1)C 271570a_100011290941_100010241234 [0,1,0,1,0,0|2,0,0]=4 6611 B13R2.669 C=Cc1ccc2o[nH]c(=O)c2c1 271570a_100011290941_100000732257 [0,1,0,1,0,0|2,0,0]=4 6612 B13R2.669 C=Cc1ccc2occ(c2c1)C 271570a_100011290941_100000728893 [0,1,0,1,0,0|1,0,0]=3 6613 B13R2.669 C=Cc1ccc2onc(c2c1)C 271570a_100011290941_100010196875 [0,1,0,1,0,0|1,0,0]=3 6614 B13R2.669 C=Cc1ccc2onc(c2c1)N 271570a_100011290941_100012356444 [0,1,0,1,0,0|2,0,0]=4 6615 B13R2.669 C=Cc1ccc2scc(c2c1)C 271570a_100011290941_100009814196 [0,1,0,1,0,0|1,1,0]=4 6616 B13R2.2130 C=Cc1ccc2c(c1)CCC2=O 271570a_100011290941_100000737041 [0,1,0,1,0,0|1,0,1]=4 6617 B13R2.2130 C=Cc1ccc2c(c1)CCC2N 271570a_100011290941_100000744021 [0,1,0,1,0,0|2,0,0]=4 6618 B13R2.2130 C=Cc1ccc2c(c1)CCC2O 271570a_100011290941_100000747877 [0,1,0,1,0,0|1,0,0]=3 6619 B13R2.2130 C=Cc1ccc2c(c1)CCN2C 271570a_100011290941_100009815432 [0,1,0,1,0,0|2,0,0]=4 6620 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,1,0,0|0,0,1]=3 6621 B13R2.2130 C=Cc1ccc2c(c1)OCC2N 271570a_100011290941_100020628175 [0,1,0,1,0,0|1,0,0]=3 6622 B13R2.2130 C=Cc1ccc2c(coc2c1)C 271570a_100011290941_100010775837 [0,1,0,1,0,0|1,0,1]=4 6623 B13R2.2130 C=Cc1ccc2c(noc2c1)C 271570a_100011290941_100009815287 [0,1,0,1,0,0|2,0,0]=4 6624 B13R2.2130 C=Cc1ccc2c(noc2c1)N 271570a_100011290941_100012356334 [0,1,0,1,0,0|2,0,0]=4 6625 B13R2.2130 C=Cc1ccc2c(noc2c1)O 271570a_100011290941_100000727085 [0,1,0,1,0,0|1,0,0]=3 6626 B13R2.611 C=Cc1ccc(c2c1CCC2)N 271570a_100011290941_200010751103 [0,1,0,1,0,0|2,0,0]=4 6627 B13R2.611 C=Cc1ccc(c2c1cco2)F 271570a_100011290941_100010248603 [0,1,0,1,0,0|1,0,1]=4 6628 B13R2.611 C=Cc1ccc(c2c1cco2)O 271570a_100011290941_200020711608 [0,1,0,1,0,0|0,0,1]=3 6629 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [0,1,0,1,0,0|1,0,1]=4 6630 B13R2.2121 C=Cc1ccc2[nH]c(cc2c1)C 271570a_100011290941_100011214893 [0,1,0,1,0,0|2,0,0]=4 6631 B13R2.2121 C=Cc1ccc2[nH]c(nc2c1)C 271570a_100011290941_100011264012 [0,1,0,1,0,0|2,0,0]=4 6632 B13R2.2121 C=Cc1ccc2c(c1)CC(C2)N 271570a_100011290941_100015193702 [0,1,0,1,0,0|2,0,0]=4 6633 B13R2.2121 C=Cc1ccc2c(c1)CC(C2)O 271570a_100011290941_100010161096 [0,1,0,1,0,0|2,0,0]=4 6634 B13R2.2121 C=Cc1ccc2cc([nH]c2c1)C 271570a_100011290941_100010196937 [0,1,0,1,0,0|2,0,0]=4 6635 B13R2.2121 C=Cc1ccc2cn(nc2c1)C 271570a_100011290941_100009817169 [0,1,0,1,0,0|2,0,0]=4 6636 B13R2.2121 C=Cc1ccc2nc(oc2c1)C 271570a_100011290941_100010171164 [0,1,0,1,0,0|1,0,0]=3 6637 B13R2.2121 C=Cc1ccc2nc(oc2c1)N 271570a_100011290941_100010000678 [0,1,0,1,0,0|1,0,1]=4 6638 B13R2.2121 C=Cc1ccc2nc(sc2c1)C 271570a_100011290941_100009813144 [0,1,0,1,0,0|1,1,0]=4 6639 B13R2.2121 C=Cc1ccc2nn(cc2c1)C 271570a_100011290941_100009817163 [0,1,0,1,0,0|2,0,0]=4 6640 B13R2.2121 C=Cc1ccc2oc(=O)[nH]c2c1 271570a_100011290941_100000764829 [0,1,0,1,0,0|1,0,1]=4 6641 B13R2.2121 C=Cc1ccc2oc(nc2c1)C 271570a_100011290941_100009816932 [0,1,0,1,0,0|1,0,0]=3 6642 B13R2.2121 C=Cc1ccc2oc(nc2c1)N 271570a_100011290941_100000737949 [0,1,0,1,0,0|1,0,1]=4 6643 B13R2.2121 C=Cc1ccc2sc(cc2c1)C 271570a_100011290941_100000695401 [0,1,0,1,0,0|1,1,0]=4 6644 B13R2.2121 C=Cc1ccc2sc(nc2c1)C 271570a_100011290941_100009813953 [0,1,0,1,0,0|1,1,0]=4 6645 B13R2.2121 C=Cc1cnc2nc(oc2c1)C 271570a_100011290941_100010235748 [0,1,0,1,0,0|2,0,0]=4 6646 B13R2.2121 C=Cc1cnc2oc(nc2c1)C 271570a_100011290941_100010178690 [0,1,0,1,0,0|2,0,0]=4 6647 B13R2.2169 C=Cc1ccc(c(c1)C2CC2)N 271570a_100011290941_100010997530 [0,1,0,1,0,0|2,0,0]=4 6648 B13R2.2169 O=Cc1ccc(c(c1)C2CC2)O 271570a_100011220607_100000184552 [0,1,0,1,0,0|2,0,0]=4 6649 B13R2.121 COc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817061 [0,1,0,1,0,0|1,0,0]=3 6650 B13R2.121 COc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010174914 [0,1,0,1,0,0|1,0,0]=3 6651 B13R2.121 CSc1c(ccc2c1[nH]cc2)C 62a_200000210301_100010717004 [0,1,0,1,0,0|1,1,0]=4 6652 B13R2.121 CSc1c(ccc2c1cc[nH]2)C 62a_200000210301_100010248896 [0,1,0,1,0,0|1,1,0]=4 6653 B13R2.121 CSc1c(ccc2c1cc[nH]2)F 62a_200000210301_100102525403 [0,1,0,1,0,0|1,1,0]=4 6654 B13R2.121 Cc1ccc2[nH]ccc2c1S[13CH3] 62a_200025704644_100010248896 [0,1,0,1,0,0|1,1,0]=4 6655 B13R2.121 Cc1ccc2cc[nH]c2c1S[13CH3] 62a_200025704644_100010717004 [0,1,0,1,0,0|1,1,0]=4 6656 B13R2.121 [13CH3]Sc1c(ccc2c1cc[nH]2)F 62a_200025704644_100102525403 [0,1,0,1,0,0|1,1,0]=4 6657 B13R2.449 C=C=Cc1cc2c(cn1)OCC2 271570a_100015277604_102495363667 [0,1,0,1,0,0|2,0,0]=4 6658 B13R2.449 C=C=Cc1ccc2c(c1)CCC2 271570a_100015277604_100000745594 [0,1,0,1,0,0|2,0,0]=4 6659 B13R2.449 C=C=Cc1ccc2c(c1)CCN2 271570a_100015277604_100000026929 [0,1,0,1,0,0|2,0,0]=4 6660 B13R2.449 C=C=Cc1ccc2c(c1)CCO2 271570a_100015277604_100000729065 [0,1,0,1,0,0|1,0,0]=3 6661 B13R2.449 C=C=Cc1ccc2c(c1)NCC2 271570a_100015277604_100000754641 [0,1,0,1,0,0|2,0,0]=4 6662 B13R2.449 C=C=Cc1ccc2c(c1)OCC2 271570a_100015277604_100009818566 [0,1,0,1,0,0|1,0,0]=3 6663 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [0,1,0,1,0,0|0,0,0]=2 6664 B13R2.449 C=C=Cc1ccc2ccoc2c1 271570a_100015277604_100000759542 [0,1,0,1,0,0|1,0,1]=4 6665 B13R2.449 C=C=Cc1ccc2cnoc2c1 271570a_100015277604_100009817722 [0,1,0,1,0,0|2,0,0]=4 6666 B13R2.449 C=C=Cc1ccc2ncoc2c1 271570a_100015277604_100009817590 [0,1,0,1,0,0|1,0,1]=4 6667 B13R2.449 C=C=Cc1ccc2occc2c1 271570a_100015277604_100012343831 [0,1,0,1,0,0|1,0,1]=4 6668 B13R2.449 C=C=Cc1ccc2ocnc2c1 271570a_100015277604_100009816175 [0,1,0,1,0,0|1,0,1]=4 6669 B13R2.449 C=C=Cc1ccc2oncc2c1 271570a_100015277604_100009817723 [0,1,0,1,0,0|2,0,0]=4 6670 B13R2.449 CC=Cc1cc2c(cn1)OCC2 271570a_100016259895_102495363667 [0,1,0,1,0,0|2,0,0]=4 6671 B13R2.449 CC=Cc1ccc2c(c1)CCC2 271570a_100016259895_100000745594 [0,1,0,1,0,0|2,0,0]=4 6672 B13R2.449 CC=Cc1ccc2c(c1)CCN2 271570a_100016259895_100000026929 [0,1,0,1,0,0|2,0,0]=4 6673 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [0,1,0,1,0,0|1,0,0]=3 6674 B13R2.449 CC=Cc1ccc2c(c1)NCC2 271570a_100016259895_100000754641 [0,1,0,1,0,0|2,0,0]=4 6675 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [0,1,0,1,0,0|1,0,0]=3 6676 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [0,1,0,1,0,0|0,0,0]=2 6677 B13R2.449 CC=Cc1ccc2ccoc2c1 271570a_100016259895_100000759542 [0,1,0,1,0,0|1,0,1]=4 6678 B13R2.449 CC=Cc1ccc2cnoc2c1 271570a_100016259895_100009817722 [0,1,0,1,0,0|2,0,0]=4 6679 B13R2.449 CC=Cc1ccc2ncoc2c1 271570a_100016259895_100009817590 [0,1,0,1,0,0|1,0,1]=4 6680 B13R2.449 CC=Cc1ccc2occc2c1 271570a_100016259895_100012343831 [0,1,0,1,0,0|1,0,1]=4 6681 B13R2.449 CC=Cc1ccc2ocnc2c1 271570a_100016259895_100009816175 [0,1,0,1,0,0|1,0,1]=4 6682 B13R2.449 CC=Cc1ccc2oncc2c1 271570a_100016259895_100009817723 [0,1,0,1,0,0|2,0,0]=4 6683 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [0,1,0,1,0,0|0,0,2]=4 6684 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [0,1,0,1,0,0|0,0,2]=4 6685 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,1,0,1,0,0|0,0,2]=4 6686 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [0,1,0,1,0,0|0,0,2]=4 6687 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [0,1,0,1,0,0|0,0,2]=4 6688 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [0,1,0,1,0,0|0,0,2]=4 6689 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [0,1,0,1,0,0|0,0,2]=4 6690 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,1,0,1,0,0|0,0,2]=4 6691 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,1,0,1,0,0|0,0,2]=4 6692 B13R2.449 FCNc1ccc2c(c1)OCO2 34a_100000209953_100015361967 [0,1,0,1,0,0|1,0,1]=4 6693 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [0,1,0,1,0,0|1,0,1]=4 6694 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [0,1,0,1,0,0|0,0,2]=4 6695 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [0,1,0,1,0,0|0,0,2]=4 6696 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,1,0,1,0,0|0,0,2]=4 6697 B13R2.599 C=Cc1cc2c(cc1F)NCC2 271570a_100011290941_100012771920 [0,1,0,1,0,0|2,0,0]=4 6698 B13R2.599 C=Cc1cc2c(cc1N)OCO2 271570a_100011290941_100012557033 [0,1,0,1,0,0|0,0,0]=2 6699 B13R2.599 C=Cc1cc2c(cc1O)CCC2 271570a_100011290941_200010659162 [0,1,0,1,0,0|2,0,0]=4 6700 B13R2.599 C=Cc1cc2c(cc1O)OCO2 271570a_100011290941_100010290809 [0,1,0,1,0,0|0,0,0]=2 6701 B13R2.599 CNc1cc2c(cc1C)OCO2 2230a_100000066439_200000210301 [0,1,0,1,0,0|1,0,1]=4 6702 B13R2.599 CNc1cc2c(cc1C)OCO2 34a_100000066439_200000210301 [0,1,0,1,0,0|1,0,1]=4 6703 B13R2.599 CNc1cc2c(cc1Cl)OCO2 34a_100000234339_200000210301 [0,1,0,1,0,0|1,0,1]=4 6704 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [0,1,0,1,0,0|0,0,0]=2 6705 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [0,1,0,1,0,0|1,0,0]=3 6706 B13R2.599 COc1cc2c(cc1Br)OCO2 34a_100010290809_200000210301 [0,1,0,1,0,0|1,0,1]=4 6707 B13R2.599 COc1cc2c(cc1Br)OCO2 7a_100010290809_200000210301 [0,1,0,1,0,0|1,0,1]=4 6708 B13R2.599 COc1cc2c(cc1C)OCO2 34a_100000145572_200000210301 [0,1,0,1,0,0|1,0,1]=4 6709 B13R2.599 COc1cc2c(cc1C)OCO2 7a_100000145572_200000210301 [0,1,0,1,0,0|1,0,1]=4 6710 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [0,1,0,1,0,0|0,0,0]=2 6711 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [0,1,0,1,0,0|1,0,0]=3 6712 B13R2.599 COc1cc2n[nH]cc2cc1O 271570a_203496583355_100020876381 [0,1,0,1,0,0|1,0,0]=3 6713 B13R2.599 COc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168744 [0,1,0,1,0,0|1,0,0]=3 6714 B13R2.599 CSc1cc2[nH]ccc2cc1Br 62a_100000703010_200000210301 [0,1,0,1,0,0|1,1,0]=4 6715 B13R2.599 CSc1cc2[nH]ccc2cc1Br 62a_200000210301_100000703010 [0,1,0,1,0,0|1,1,0]=4 6716 B13R2.599 CSc1cc2[nH]ccc2cc1C 62a_200000210301_100010199660 [0,1,0,1,0,0|1,1,0]=4 6717 B13R2.599 CSc1cc2[nH]ccc2cc1F 62a_100009817181_200000210301 [0,1,0,1,0,0|1,1,0]=4 6718 B13R2.599 CSc1cc2[nH]ccc2cc1F 62a_200000210301_100009817181 [0,1,0,1,0,0|1,1,0]=4 6719 B13R2.599 CSc1cc2[nH]ncc2cc1O 62a_200000210301_100010080172 [0,1,0,1,0,0|1,1,0]=4 6720 B13R2.599 CSc1cc2c(cc1N)OCO2 62a_100012557033_200000210301 [0,1,0,1,0,0|1,0,1]=4 6721 B13R2.599 CSc1cc2cc[nH]c2cc1C 62a_200000210301_100010199648 [0,1,0,1,0,0|1,1,0]=4 6722 B13R2.599 CSc1cc2cc[nH]c2cc1F 62a_100000731065_200000210301 [0,1,0,1,0,0|1,1,0]=4 6723 B13R2.599 CSc1cc2cc[nH]c2cc1F 62a_200000210301_100000731065 [0,1,0,1,0,0|1,1,0]=4 6724 B13R2.599 CSc1cc2cc[nH]c2cc1N 62a_100010212544_200000210301 [0,1,0,1,0,0|1,1,0]=4 6725 B13R2.599 CSc1cc2cc[nH]c2cc1N 62a_200000210301_100010212544 [0,1,0,1,0,0|1,1,0]=4 6726 B13R2.599 CSc1cc2cn[nH]c2cc1O 62a_200000210301_100010079831 [0,1,0,1,0,0|1,1,0]=4 6727 B13R2.599 CSc1cc2sccc2cc1C 62a_100010762285_200000210301 [0,1,0,1,0,0|1,1,0]=4 6728 B13R2.599 CSc1cc2sccc2cc1C 62a_200000210301_100010762285 [0,1,0,1,0,0|1,1,0]=4 6729 B13R2.599 Cc1cc2[nH]ccc2cc1S[13CH3] 62a_200025704644_100010199648 [0,1,0,1,0,0|1,1,0]=4 6730 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 2230a_100000066439_200025704644 [0,1,0,1,0,0|1,0,1]=4 6731 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 34a_100000066439_200025704644 [0,1,0,1,0,0|1,0,1]=4 6732 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 34a_100000145572_200025704644 [0,1,0,1,0,0|1,0,1]=4 6733 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 7a_100000145572_200025704644 [0,1,0,1,0,0|1,0,1]=4 6734 B13R2.599 Cc1cc2cc[nH]c2cc1S[13CH3] 62a_200025704644_100010199660 [0,1,0,1,0,0|1,1,0]=4 6735 B13R2.599 Cc1cc2ccsc2cc1S[13CH3] 62a_100010762285_200025704644 [0,1,0,1,0,0|1,1,0]=4 6736 B13R2.599 Cc1cc2ccsc2cc1S[13CH3] 62a_200025704644_100010762285 [0,1,0,1,0,0|1,1,0]=4 6737 B13R2.599 NCc1cc2c(cc1O)OCO2 271570a_203496583355_200011199097 [0,1,0,1,0,0|1,0,1]=4 6738 B13R2.599 O=Cc1cc2c(cc1O)OCO2 271570a_203496583355_100000186749 [0,1,0,1,0,0|1,0,0]=3 6739 B13R2.599 OCc1cc2c(cc1O)OCO2 271570a_203496583355_100000187691 [0,1,0,1,0,0|1,0,1]=4 6740 B13R2.599 [13CH3]Nc1cc2c(cc1Cl)OCO2 34a_100000234339_200025704644 [0,1,0,1,0,0|1,0,1]=4 6741 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 34a_100010290809_200025704644 [0,1,0,1,0,0|1,0,1]=4 6742 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 7a_100010290809_200025704644 [0,1,0,1,0,0|1,0,1]=4 6743 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1Br 62a_100000703010_200025704644 [0,1,0,1,0,0|1,1,0]=4 6744 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1Br 62a_200025704644_100000703010 [0,1,0,1,0,0|1,1,0]=4 6745 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1F 62a_100009817181_200025704644 [0,1,0,1,0,0|1,1,0]=4 6746 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1F 62a_200025704644_100009817181 [0,1,0,1,0,0|1,1,0]=4 6747 B13R2.599 [13CH3]Sc1cc2[nH]ncc2cc1O 62a_200025704644_100010080172 [0,1,0,1,0,0|1,1,0]=4 6748 B13R2.599 [13CH3]Sc1cc2c(cc1N)OCO2 62a_100012557033_200025704644 [0,1,0,1,0,0|1,0,1]=4 6749 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1F 62a_100000731065_200025704644 [0,1,0,1,0,0|1,1,0]=4 6750 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1F 62a_200025704644_100000731065 [0,1,0,1,0,0|1,1,0]=4 6751 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1N 62a_100010212544_200025704644 [0,1,0,1,0,0|1,1,0]=4 6752 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1N 62a_200025704644_100010212544 [0,1,0,1,0,0|1,1,0]=4 6753 B13R2.599 [13CH3]Sc1cc2cn[nH]c2cc1O 62a_200025704644_100010079831 [0,1,0,1,0,0|1,1,0]=4 6754 B13R2.654 C=Cc1cc(c2occc2c1)C 271570a_100011290941_100012361858 [0,1,0,1,0,0|1,0,1]=4 6755 B13R2.654 C=Cc1cc(c2occc2c1)F 271570a_100011290941_100012355474 [0,1,0,1,0,0|1,0,1]=4 6756 B13R2.654 O=Cc1cc(c2c(c1)CCO2)O 271570a_203496583355_100009816904 [0,1,0,1,0,0|2,0,0]=4 6757 B13R2.654 O=Cc1cc(c2c(c1)OCO2)O 271570a_203496583355_100000682445 [0,1,0,1,0,0|1,0,0]=3 6758 B13R2.84 C=Cc1ccc2c(c1C)OCO2 271570a_100011290941_100010335860 [0,1,0,1,0,0|0,0,0]=2 6759 B13R2.84 C=Cc1ccc2c(c1F)CCN2 271570a_100011290941_100011013764 [0,1,0,1,0,0|2,0,0]=4 6760 B13R2.84 C=Cc1ccc2c(c1F)OCO2 271570a_100011290941_100010223184 [0,1,0,1,0,0|0,0,0]=2 6761 B13R2.84 C=Cc1ccc2c(c1N)CCC2 271570a_100011290941_202495424074 [0,1,0,1,0,0|2,0,0]=4 6762 B13R2.84 C=Cc1ccc2c(c1O)CCC2 271570a_100011290941_100010662108 [0,1,0,1,0,0|2,0,0]=4 6763 B13R2.84 CSc1ccc2c(c1C)OCO2 62a_100010335860_200000210301 [0,1,0,1,0,0|1,0,1]=4 6764 B13R2.84 CSc1ccc2c(c1F)OCO2 62a_100010223184_200000210301 [0,1,0,1,0,0|1,0,1]=4 6765 B13R2.84 Cc1c(ccc2c1OCO2)S[13CH3] 62a_100010335860_200025704644 [0,1,0,1,0,0|1,0,1]=4 6766 B13R2.84 [13CH3]Sc1ccc2c(c1F)OCO2 62a_100010223184_200025704644 [0,1,0,1,0,0|1,0,1]=4 6767 B9R1.14 C=Cc1c[nH]nc1OC 271570a_100011290941_100010982843 [1,0,0,0,1,0|2,0,0]=4 6768 B9R1.14 C=Cc1ccsc1SC 271570a_100011290941_200010341309 [1,0,0,0,1,0|1,1,0]=4 6769 B9R1.14 C=Cc1cscc1CC 271570a_100011290941_100011068457 [1,0,0,0,1,0|2,0,0]=4 6770 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [1,0,0,0,1,0|2,0,0]=4 6771 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [1,0,0,0,1,0|2,0,0]=4 6772 B9R1.21 C=Cc1cnc(s1)OC 271570a_100011290941_100000729428 [1,0,0,0,1,0|2,0,0]=4 6773 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [1,0,0,0,1,0|2,0,0]=4 6774 B9R1.21 C=Cc1csc(c1)SC 271570a_100011290941_200010256830 [1,0,0,0,1,0|1,1,0]=4 6775 B9R1.21 C=Cc1csc(n1)OC 271570a_100011290941_100000727839 [1,0,0,0,1,0|2,0,0]=4 6776 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [1,0,0,0,1,0|2,0,0]=4 6777 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [1,0,0,0,1,0|2,0,0]=4 6778 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [1,0,0,0,1,0|2,0,0]=4 6779 B9R1.132 C=Cc1csc(c1C)C 271570a_100011290941_100009820295 [1,0,0,0,1,0|2,0,0]=4 6780 B11R1.265 C=Cc1cccc(c1C#N)O 271570a_100011290941_100012180507 [0,0,0,0,1,1|2,0,0]=4 6781 B11R1.265 C=Cc1cccc(c1C=O)O 271570a_100011290941_100009814793 [0,0,0,0,1,1|2,0,0]=4 6782 B11R1.265 C=Cc1cccc(c1NC)N 271570a_100011290941_100010510394 [0,0,0,0,1,1|2,0,0]=4 6783 B11R1.265 C=Cc1cccc(c1OC)Br 271570a_100011290941_100010146560 [0,0,0,0,1,1|1,0,0]=3 6784 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [0,0,0,0,1,1|1,0,0]=3 6785 B11R1.265 C=Cc1cccc(c1OC)Cl 271570a_100011290941_100010147678 [0,0,0,0,1,1|1,0,0]=3 6786 B11R1.265 C=Cc1cccc(c1OC)F 271570a_100011290941_100009816759 [0,0,0,0,1,1|1,0,0]=3 6787 B11R1.265 C=Cc1cccc(c1OC)N 271570a_100011290941_100011935253 [0,0,0,0,1,1|1,0,0]=3 6788 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [0,0,0,0,1,1|0,0,0]=2 6789 B11R1.265 C=Cc1cccc(c1SC)F 271570a_100011290941_200010709249 [0,0,0,0,1,1|1,1,0]=4 6790 B11R1.265 C=Cc1ccnc(c1OC)C 271570a_100011290941_100000685116 [0,0,0,0,1,1|1,0,0]=3 6791 B11R1.265 C=Cc1ccnc(c1OC)Cl 271570a_100011290941_100010068014 [0,0,0,0,1,1|1,0,0]=3 6792 B11R1.265 C=Cc1ccnc(c1OC)N 271570a_100011290941_100009880012 [0,0,0,0,1,1|1,0,0]=3 6793 B11R1.265 C=Cc1cncc(c1OC)N 271570a_100011290941_100012359933 [0,0,0,0,1,1|1,0,0]=3 6794 B11R1.265 C=Cc1nccc(c1C=O)O 271570a_100011290941_200010729673 [0,0,0,0,1,1|2,0,0]=4 6795 B11R1.265 C=Cc1nccc(c1OC)N 271570a_100011290941_100000104429 [0,0,0,0,1,1|1,0,0]=3 6796 B11R1.265 C=Cc1nccc(c1OC)O 271570a_100011290941_100000104430 [0,0,0,0,1,1|0,0,0]=2 6797 B11R1.265 C=Cc1ncnc(c1OC)N 271570a_100011290941_100011998528 [0,0,0,0,1,1|2,0,0]=4 6798 B11R1.265 COc1c(cccc1C#N)O 271570a_203496583355_100009817008 [0,0,0,0,1,1|1,0,1]=4 6799 B11R1.265 COc1c(cccc1C=O)O 271570a_203496583355_100000692592 [0,0,0,0,1,1|1,0,0]=3 6800 B11R1.265 COc1c(cccc1CO)O 271570a_203496583355_100000704359 [0,0,0,0,1,1|1,0,1]=4 6801 B11R1.265 COc1c(cccc1SC)O 62a_200000210301_100010234590 [0,0,0,0,1,1|1,0,1]=4 6802 B11R1.265 COc1c(cccc1S[13CH3])O 62a_200025704644_100010234590 [0,0,0,0,1,1|1,0,1]=4 6803 B11R1.265 COc1c(ccnc1CO)O 271570a_203496583355_100009869429 [0,0,0,0,1,1|1,0,1]=4 6804 B11R1.265 COc1c(ccnc1O)C=O 271570a_203496583355_200009814792 [0,0,0,0,1,1|1,0,0]=3 6805 B11R1.265 COc1c(ccnc1SC)O 62a_200000210301_100000104430 [0,0,0,0,1,1|1,0,1]=4 6806 B11R1.265 COc1c(ccnc1S[13CH3])O 62a_200025704644_100000104430 [0,0,0,0,1,1|1,0,1]=4 6807 B11R1.265 COc1c(cncc1C#N)O 271570a_203496583355_100016142170 [0,0,0,0,1,1|1,0,1]=4 6808 B11R1.265 COc1c(cncc1C=O)O 271570a_203496583355_100015834815 [0,0,0,0,1,1|1,0,0]=3 6809 B11R1.265 COc1cccc(c1OC)O 271570a_203496583355_100009815961 [0,0,0,0,1,1|1,0,1]=4 6810 B11R1.265 CSc1c(cccc1C=O)O 62a_100009816417_200000210301 [0,0,0,0,1,1|1,1,0]=4 6811 B11R1.265 CSc1c(cccc1C=O)O 62a_200000210301_100009816417 [0,0,0,0,1,1|1,1,0]=4 6812 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_100009816417_200025704644 [0,0,0,0,1,1|1,1,0]=4 6813 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_200025704644_100009816417 [0,0,0,0,1,1|1,1,0]=4