0 B14R1.489 C=C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100015277604_200010006938 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.489 C=C=Cc1ccc(c(c1)NC(=O)C)C 271570a_100015277604_100011344836 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.489 C=C=Cc1ccc(c(c1)NC(=O)C)F 271570a_100015277604_200011951791 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.489 CC(=O)Cc1cc(ccc1O)SCF 62a_100015361967_200010006938 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.489 CC(=O)Cc1cc(ccc1O)SCF 62a_200010006938_100015361967 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.489 CC(=O)Nc1cc(ccc1C)NCF 34a_100000740626_100015361967 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.489 CC(=O)Nc1cc(ccc1C)NCF 7a_100000740626_100015361967 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.489 CC(=O)Nc1cc(ccc1C)SCF 62a_100015361967_100011344836 [0,0,0,0,0,0|4,0,0]=4 8 B14R1.489 CC(=O)Nc1cc(ccc1Cl)NCF 34a_100000745429_100015361967 [0,0,0,0,0,0|4,0,0]=4 9 B14R1.489 CC(=O)Nc1cc(ccc1Cl)NCF 7a_100000745429_100015361967 [0,0,0,0,0,0|4,0,0]=4 10 B14R1.489 CC(=O)Nc1cc(ccc1F)NCF 34a_100000736141_100015361967 [0,0,0,0,0,0|4,0,0]=4 11 B14R1.489 CC(=O)Nc1cc(ccc1F)NCF 7a_100000736141_100015361967 [0,0,0,0,0,0|4,0,0]=4 12 B14R1.489 CC(=O)Nc1cc(ccc1F)SCF 62a_100015361967_200011951791 [0,0,0,0,0,0|4,0,0]=4 13 B14R1.489 CC(=O)Nc1cc(ccc1O)NCF 34a_100000070259_100015361967 [0,0,0,0,0,0|3,0,0]=3 14 B14R1.489 CC(=O)Nc1cc(ccc1O)NCF 7a_100000070259_100015361967 [0,0,0,0,0,0|3,0,0]=3 15 B14R1.489 CC=Cc1ccc(c(c1)CC(=O)C)O 271570a_100016259895_200010006938 [0,0,0,0,0,0|2,0,1]=3 16 B14R1.489 CC=Cc1ccc(c(c1)NC(=O)C)C 271570a_100016259895_100011344836 [0,0,0,0,0,0|2,0,1]=3 17 B14R1.489 CC=Cc1ccc(c(c1)NC(=O)C)F 271570a_100016259895_200011951791 [0,0,0,0,0,0|2,0,1]=3 18 B14R1.489 CC=Cc1ccc(c(c1)OC(=O)C)C 271570a_100016259895_100103282185 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.489 CC=Cc1cnc(c(c1)NC(=O)C)C 271570a_100016259895_100010117071 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.489 CCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000210202 [0,0,0,0,0,0|3,0,0]=3 21 B14R1.489 CCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000210202 [0,0,0,0,0,0|3,0,0]=3 22 B14R1.489 CCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000210202 [0,0,0,0,0,0|3,0,0]=3 23 B14R1.489 CCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000210202 [0,0,0,0,0,0|3,0,0]=3 24 B14R1.489 CCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000210202 [0,0,0,0,0,0|3,0,0]=3 25 B14R1.489 CCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000210202 [0,0,0,0,0,0|3,0,0]=3 26 B14R1.489 CCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000210202 [0,0,0,0,0,0|2,0,0]=2 27 B14R1.489 CCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000210202 [0,0,0,0,0,0|2,0,0]=2 28 B14R1.489 CCSc1ccc(c(c1)CC(=O)C)O 62a_100000210202_200010006938 [0,0,0,0,0,0|3,0,0]=3 29 B14R1.489 CCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000210202 [0,0,0,0,0,0|3,0,0]=3 30 B14R1.489 CCSc1ccc(c(c1)NC(=O)C)C 62a_100000210202_100011344836 [0,0,0,0,0,0|3,0,0]=3 31 B14R1.489 CCSc1ccc(c(c1)NC(=O)C)F 62a_100000210202_200011951791 [0,0,0,0,0,0|3,0,0]=3 32 B14R1.489 CCSc1ccc(c(c1)OC(=O)C)C 62a_100000210202_100103282185 [0,0,0,0,0,0|4,0,0]=4 33 B14R1.489 CCSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_100000210202 [0,0,0,0,0,0|4,0,0]=4 34 B14R1.489 CCSc1cnc(c(c1)NC(=O)C)C 62a_100000210202_100010117071 [0,0,0,0,0,0|4,0,0]=4 35 B14R1.489 CCSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_100000210202 [0,0,0,0,0,0|4,0,0]=4 36 B14R1.489 COCc1ccc(c(c1)C=C(C)C)C 271570a_100102525489_200015395492 [0,0,0,0,0,0|3,0,0]=3 37 B14R1.489 COCc1ccc(c(c1)C=C(C)C)F 271570a_100102525489_200011493689 [0,0,0,0,0,0|3,0,0]=3 38 B14R1.489 COCc1ccc(c(c1)NC(=O)C)Br 11a_200013033220_100015343762 [0,0,0,0,0,0|1,0,0]=1 39 B14R1.489 COCc1ccc(c(c1)NC(=O)C)Br 1626a_200013033220_100015343762 [0,0,0,0,0,0|1,0,0]=1 40 B14R1.489 COCc1ccc(c(c1)NC(C)C)Br 34a_200013033220_100000210206 [0,0,0,0,0,0|2,0,1]=3 41 B14R1.489 COCc1ccc(c(c1)SC(C)C)C 62a_100000210206_200015395492 [0,0,0,0,0,0|3,0,1]=4 42 B14R1.489 COCc1ccc(c(c1)SC(C)C)C 62a_200015395492_100000210206 [0,0,0,0,0,0|3,0,1]=4 43 B14R1.489 COCc1ccc(c(c1)SC(C)C)F 62a_100000210206_200011493689 [0,0,0,0,0,0|3,0,1]=4 44 B14R1.489 COCc1ccc(c(c1)SC(C)C)F 62a_200011493689_100000210206 [0,0,0,0,0,0|3,0,1]=4 45 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 11a_100012022948_100015343762 [1,0,0,0,0,0|1,0,2]=4 46 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 1626a_100012022948_100015343762 [1,0,0,0,0,0|1,0,2]=4 47 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 22a_100012022948_100000070787 [1,0,0,0,0,0|1,0,2]=4 48 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)C 527a_100012022948_100103153847 [1,0,0,0,0,0|1,0,2]=4 49 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 11a_100000100531_100015343762 [1,0,0,0,0,0|1,0,2]=4 50 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 1626a_100000100531_100015343762 [1,0,0,0,0,0|1,0,2]=4 51 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 22a_100000100531_100000070787 [1,0,0,0,0,0|1,0,2]=4 52 B13R1.97 C#Cc1ccc(c(c1)NC(=O)C)F 527a_100000100531_100103153847 [1,0,0,0,0,0|1,0,2]=4 53 B13R1.97 C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100011290941_200010006938 [1,0,0,0,0,0|1,0,2]=4 54 B13R1.97 C=Cc1ccc(c(c1)NC(=O)C)C 271570a_100011290941_100011344836 [1,0,0,0,0,0|1,0,2]=4 55 B13R1.97 C=Cc1ccc(c(c1)NC(=O)C)F 271570a_100011290941_200011951791 [1,0,0,0,0,0|1,0,2]=4 56 B13R1.97 CC(=Cc1cc(ccc1C)CO)C 271570a_100102525489_100000050133 [1,0,0,0,0,0|3,0,0]=4 57 B13R1.97 CC(=Cc1cc(ccc1F)CO)C 271570a_100102525489_100000246287 [1,0,0,0,0,0|3,0,0]=4 58 B13R1.97 CC(=Cc1cc(ccc1O)CO)C 271570a_100102525489_100011191544 [1,0,0,0,0,0|2,0,0]=3 59 B13R1.97 CC(=Cc1nc(ccc1O)CO)C 271570a_100102525489_200000118097 [1,0,0,0,0,0|3,0,0]=4 60 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200010006938_200025704644 [1,0,0,0,0,0|1,1,0]=3 61 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_200010006938 [1,0,0,0,0,0|1,1,0]=3 62 B13R1.97 CC(=O)Nc1cc(ccc1Br)C#N 11a_100012001879_100015343762 [1,0,0,0,0,0|2,0,1]=4 63 B13R1.97 CC(=O)Nc1cc(ccc1Br)C#N 1626a_100012001879_100015343762 [1,0,0,0,0,0|2,0,1]=4 64 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 11a_100000748024_100015343762 [1,0,0,0,0,0|2,0,1]=4 65 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 1626a_100000748024_100015343762 [1,0,0,0,0,0|2,0,1]=4 66 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 22a_100000748024_100000070787 [1,0,0,0,0,0|2,0,1]=4 67 B13R1.97 CC(=O)Nc1cc(ccc1C)C#N 527a_100000748024_100103153847 [1,0,0,0,0,0|2,0,1]=4 68 B13R1.97 CC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000070787 [1,0,0,0,0,0|1,0,0]=2 69 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 34a_100000740626_200025704644 [1,0,0,0,0,0|2,0,0]=3 70 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 7a_100000740626_200025704644 [1,0,0,0,0,0|2,0,0]=3 71 B13R1.97 CC(=O)Nc1cc(ccc1C)S[13CH3] 62a_200025704644_100011344836 [1,0,0,0,0,0|1,1,0]=3 72 B13R1.97 CC(=O)Nc1cc(ccc1Cl)C#N 11a_100000766345_100015343762 [1,0,0,0,0,0|2,0,1]=4 73 B13R1.97 CC(=O)Nc1cc(ccc1Cl)C#N 1626a_100000766345_100015343762 [1,0,0,0,0,0|2,0,1]=4 74 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 34a_100000745429_200025704644 [1,0,0,0,0,0|2,0,0]=3 75 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 7a_100000745429_200025704644 [1,0,0,0,0,0|2,0,0]=3 76 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 11a_100011934650_100015343762 [1,0,0,0,0,0|2,0,1]=4 77 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 1626a_100011934650_100015343762 [1,0,0,0,0,0|2,0,1]=4 78 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 22a_100011934650_100000070787 [1,0,0,0,0,0|2,0,1]=4 79 B13R1.97 CC(=O)Nc1cc(ccc1F)C#N 527a_100011934650_100103153847 [1,0,0,0,0,0|2,0,1]=4 80 B13R1.97 CC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000070787 [1,0,0,0,0,0|1,0,0]=2 81 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 34a_100000736141_200025704644 [1,0,0,0,0,0|2,0,0]=3 82 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 7a_100000736141_200025704644 [1,0,0,0,0,0|2,0,0]=3 83 B13R1.97 CC(=O)Nc1cc(ccc1F)S[13CH3] 62a_200025704644_200011951791 [1,0,0,0,0,0|1,1,0]=3 84 B13R1.97 CC(=O)Nc1cc(ccc1I)C#N 11a_200012349464_100015343762 [1,0,0,0,0,0|2,0,1]=4 85 B13R1.97 CC(=O)Nc1cc(ccc1I)C#N 1626a_200012349464_100015343762 [1,0,0,0,0,0|2,0,1]=4 86 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 22a_100000766272_100000070787 [1,0,0,0,0,0|1,0,1]=3 87 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 527a_100000766272_100103153847 [1,0,0,0,0,0|1,0,1]=3 88 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000070787 [1,0,0,0,0,0|0,0,0]=1 89 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100103153847 [1,0,0,0,0,0|0,0,0]=1 90 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 34a_100000070259_200025704644 [1,0,0,0,0,0|1,0,0]=2 91 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 7a_100000070259_200025704644 [1,0,0,0,0,0|1,0,0]=2 92 B13R1.97 CC(=O)Nc1cc(cnc1C)S[13CH3] 62a_100010117071_200025704644 [1,0,0,0,0,0|2,1,0]=4 93 B13R1.97 CC(=O)Nc1cc(cnc1C)S[13CH3] 62a_200025704644_100010117071 [1,0,0,0,0,0|2,1,0]=4 94 B13R1.97 CC(=O)Oc1cc(ccc1C)S[13CH3] 62a_100103282185_200025704644 [1,0,0,0,0,0|2,1,0]=4 95 B13R1.97 CC(=O)Oc1cc(ccc1C)S[13CH3] 62a_200025704644_100103282185 [1,0,0,0,0,0|2,1,0]=4 96 B13R1.97 CC(C)Nc1cc(ccc1Br)CO 34a_100012347568_100000210206 [1,0,0,0,0,0|2,0,1]=4 97 B13R1.97 CC(C)Nc1cc(ccc1Cl)CO 34a_106256033963_100000210206 [1,0,0,0,0,0|2,0,1]=4 98 B13R1.97 CC(C)Nc1cc(ccc1F)CO 2230a_102125399562_100000210206 [1,0,0,0,0,0|2,0,1]=4 99 B13R1.97 CC(C)Nc1cc(ccc1F)CO 34a_102125399562_100000210206 [1,0,0,0,0,0|2,0,1]=4 100 B13R1.97 CC(C)Nc1cc(ccc1O)CO 34a_100000123545_100000210206 [1,0,0,0,0,0|1,0,1]=3 101 B13R1.97 CC(C)Sc1cc(ccc1O)CO 62a_100000210206_100011191544 [1,0,0,0,0,0|2,0,1]=4 102 B13R1.97 CC(C)Sc1cc(ccc1O)CO 62a_100011191544_100000210206 [1,0,0,0,0,0|2,0,1]=4 103 B13R1.97 CCc1ccc(c(c1)C=C(C)C)F 271570a_100102525489_200010244628 [1,0,0,0,0,0|3,0,0]=4 104 B13R1.97 CCc1ccc(c(c1)C=C(C)C)N 271570a_100102525489_100012339725 [1,0,0,0,0,0|3,0,0]=4 105 B13R1.97 CCc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100012339963 [1,0,0,0,0,0|2,0,0]=3 106 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 11a_200012022522_100015343762 [1,0,0,0,0,0|1,0,0]=2 107 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 1626a_200012022522_100015343762 [1,0,0,0,0,0|1,0,0]=2 108 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 22a_200012022522_100000070787 [1,0,0,0,0,0|1,0,0]=2 109 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 527a_200012022522_100103153847 [1,0,0,0,0,0|1,0,0]=2 110 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 22a_100000765835_100000070787 [1,0,0,0,0,0|0,0,0]=1 111 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 527a_100000765835_100103153847 [1,0,0,0,0,0|0,0,0]=1 112 B13R1.97 CCc1ccc(c(c1)NC(C)C)C 2230a_200012022522_100000210206 [1,0,0,0,0,0|2,0,1]=4 113 B13R1.97 CCc1ccc(c(c1)NC(C)C)C 34a_200012022522_100000210206 [1,0,0,0,0,0|2,0,1]=4 114 B13R1.97 CCc1ccc(c(c1)NC(C)C)C 7a_200012022522_100000210206 [1,0,0,0,0,0|2,0,1]=4 115 B13R1.97 CCc1ccc(c(c1)NC(C)C)O 34a_100000765835_100000210206 [1,0,0,0,0,0|1,0,1]=3 116 B13R1.97 CCc1ccc(c(c1)SC(C)C)O 62a_100000210206_100012339963 [1,0,0,0,0,0|2,0,1]=4 117 B13R1.97 CCc1ccc(c(c1)SC(C)C)O 62a_100012339963_100000210206 [1,0,0,0,0,0|2,0,1]=4 118 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_200000210301 [1,0,0,0,0,0|2,0,0]=3 119 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_200000210301 [1,0,0,0,0,0|2,0,0]=3 120 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_200000210301 [1,0,0,0,0,0|2,0,0]=3 121 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_200000210301 [1,0,0,0,0,0|2,0,0]=3 122 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_200000210301 [1,0,0,0,0,0|2,0,0]=3 123 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_200000210301 [1,0,0,0,0,0|2,0,0]=3 124 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_200000210301 [1,0,0,0,0,0|1,0,0]=2 125 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_200000210301 [1,0,0,0,0,0|1,0,0]=2 126 B13R1.97 COc1ccc(c(c1)C=C(C)C)Br 271570a_100102525489_100009992028 [1,0,0,0,0,0|3,0,0]=4 127 B13R1.97 COc1ccc(c(c1)C=C(C)C)C 271570a_100102525489_100012349166 [1,0,0,0,0,0|3,0,0]=4 128 B13R1.97 COc1ccc(c(c1)C=C(C)C)Cl 271570a_100102525489_100011356938 [1,0,0,0,0,0|3,0,0]=4 129 B13R1.97 COc1ccc(c(c1)C=C(C)C)F 271570a_100102525489_100000699733 [1,0,0,0,0,0|3,0,0]=4 130 B13R1.97 COc1ccc(c(c1)C=C(C)C)N 271570a_100102525489_100015195136 [1,0,0,0,0,0|3,0,0]=4 131 B13R1.97 COc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100000685887 [1,0,0,0,0,0|2,0,0]=3 132 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000070787_100000761528 [1,0,0,0,0,0|2,0,0]=3 133 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000690513_200000210301 [1,0,0,0,0,0|2,0,0]=3 134 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100000070787_100000718613 [1,0,0,0,0,0|2,0,0]=3 135 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100010217559_200000210301 [1,0,0,0,0,0|2,0,0]=3 136 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100000070787_100010243555 [1,0,0,0,0,0|2,0,0]=3 137 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100009868546_200000210301 [1,0,0,0,0,0|2,0,0]=3 138 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100000690513_200025704644 [1,0,0,0,0,0|2,0,0]=3 139 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Cl 1458a_100010217559_200025704644 [1,0,0,0,0,0|2,0,0]=3 140 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100009868546_200025704644 [1,0,0,0,0,0|2,0,0]=3 141 B13R1.97 COc1ccc(c(c1)CN(C)C)O 271570a_203496583355_100000727244 [1,0,0,0,0,0|3,0,0]=4 142 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 11a_100000748603_100015343762 [1,0,0,0,0,0|1,0,0]=2 143 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 1626a_100000748603_100015343762 [1,0,0,0,0,0|1,0,0]=2 144 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 22a_100000748603_100000070787 [1,0,0,0,0,0|1,0,0]=2 145 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 11a_100000760359_100015343762 [1,0,0,0,0,0|1,0,0]=2 146 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 1626a_100000760359_100015343762 [1,0,0,0,0,0|1,0,0]=2 147 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 22a_100000760359_100000070787 [1,0,0,0,0,0|1,0,0]=2 148 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 527a_100000760359_100103153847 [1,0,0,0,0,0|1,0,0]=2 149 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 11a_100000745576_100015343762 [1,0,0,0,0,0|1,0,0]=2 150 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 1626a_100000745576_100015343762 [1,0,0,0,0,0|1,0,0]=2 151 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 22a_100000745576_100000070787 [1,0,0,0,0,0|1,0,0]=2 152 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 11a_100000764331_100015343762 [1,0,0,0,0,0|1,0,0]=2 153 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 1626a_100000764331_100015343762 [1,0,0,0,0,0|1,0,0]=2 154 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 22a_100000764331_100000070787 [1,0,0,0,0,0|1,0,0]=2 155 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 527a_100000764331_100103153847 [1,0,0,0,0,0|1,0,0]=2 156 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 11a_100000748021_100015343762 [1,0,0,0,0,0|1,0,0]=2 157 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 1626a_100000748021_100015343762 [1,0,0,0,0,0|1,0,0]=2 158 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 22a_100000748021_100000070787 [1,0,0,0,0,0|1,0,0]=2 159 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 22a_100000188146_100000070787 [1,0,0,0,0,0|0,0,0]=1 160 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 271570a_203496583355_100011665069 [1,0,0,0,0,0|0,0,0]=1 161 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 527a_100000188146_100103153847 [1,0,0,0,0,0|0,0,0]=1 162 B13R1.97 COc1ccc(c(c1)NC(C)C)Br 34a_100000748603_100000210206 [1,0,0,0,0,0|2,0,1]=4 163 B13R1.97 COc1ccc(c(c1)NC(C)C)C 2230a_100000760359_100000210206 [1,0,0,0,0,0|2,0,1]=4 164 B13R1.97 COc1ccc(c(c1)NC(C)C)C 34a_100000760359_100000210206 [1,0,0,0,0,0|2,0,1]=4 165 B13R1.97 COc1ccc(c(c1)NC(C)C)Cl 34a_100000745576_100000210206 [1,0,0,0,0,0|2,0,1]=4 166 B13R1.97 COc1ccc(c(c1)NC(C)C)F 34a_100000764331_100000210206 [1,0,0,0,0,0|2,0,1]=4 167 B13R1.97 COc1ccc(c(c1)NC(C)C)I 34a_100000748021_100000210206 [1,0,0,0,0,0|2,0,1]=4 168 B13R1.97 COc1ccc(c(c1)NC(C)C)O 34a_100000188146_100000210206 [1,0,0,0,0,0|1,0,1]=3 169 B13R1.97 COc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000685887 [1,0,0,0,0,0|2,0,1]=4 170 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200000210301_200010006938 [1,0,0,0,0,0|1,1,0]=3 171 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_200000210301 [1,0,0,0,0,0|1,1,0]=3 172 B13R1.97 CSc1ccc(c(c1)NC(=O)C)C 62a_200000210301_100011344836 [1,0,0,0,0,0|1,1,0]=3 173 B13R1.97 CSc1ccc(c(c1)NC(=O)C)F 62a_200000210301_200011951791 [1,0,0,0,0,0|1,1,0]=3 174 B13R1.97 CSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_200000210301 [1,0,0,0,0,0|2,1,0]=4 175 B13R1.97 CSc1ccc(c(c1)OC(=O)C)C 62a_200000210301_100103282185 [1,0,0,0,0,0|2,1,0]=4 176 B13R1.97 CSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_200000210301 [1,0,0,0,0,0|2,1,0]=4 177 B13R1.97 CSc1cnc(c(c1)NC(=O)C)C 62a_200000210301_100010117071 [1,0,0,0,0,0|2,1,0]=4 178 B13R1.97 Cc1ccc(cc1NC(C)C)CO 2230a_100000758420_100000210206 [1,0,0,0,0,0|2,0,1]=4 179 B13R1.97 Cc1ccc(cc1NC(C)C)CO 34a_100000758420_100000210206 [1,0,0,0,0,0|2,0,1]=4 180 B13R1.373 C=C=Cc1cccc(c1)NC(=O)C 271570a_100015277604_100000153616 [1,0,0,0,0,0|1,0,2]=4 181 B13R1.373 CC(=O)Nc1cccc(c1)CC#N 11a_100000017804_100015343762 [1,0,0,0,0,0|2,0,0]=3 182 B13R1.373 CC(=O)Nc1cccc(c1)CC#N 1626a_100000017804_100015343762 [1,0,0,0,0,0|2,0,0]=3 183 B13R1.373 CC(=O)Nc1cccc(c1)CC#N 22a_100000017804_100000070787 [1,0,0,0,0,0|2,0,0]=3 184 B13R1.373 CC(=O)Nc1cccc(c1)CC#N 527a_100000017804_100103153847 [1,0,0,0,0,0|2,0,0]=3 185 B13R1.373 CC(=O)Nc1cccc(c1)CCO 22a_100011996697_100000070787 [1,0,0,0,0,0|2,0,0]=3 186 B13R1.373 CC(=O)Nc1cccc(c1)CCO 527a_100011996697_100103153847 [1,0,0,0,0,0|2,0,0]=3 187 B13R1.373 CC(=O)Nc1cccc(c1)CN[13CH3] 2230a_100000740035_200025704644 [1,0,0,0,0,0|1,0,0]=2 188 B13R1.373 CC(=O)Nc1cccc(c1)CN[13CH3] 34a_100000740035_200025704644 [1,0,0,0,0,0|1,0,0]=2 189 B13R1.373 CC(=O)Nc1cccc(c1)NCF 34a_100000749408_100015361967 [1,0,0,0,0,0|3,0,0]=4 190 B13R1.373 CC(=O)Nc1cccc(c1)OCF 34a_100000158604_100015361967 [1,0,0,0,0,0|3,0,0]=4 191 B13R1.373 CC(=O)Nc1cccc(c1)OCF 7a_100000158604_100015361967 [1,0,0,0,0,0|3,0,0]=4 192 B13R1.373 CC(=O)Nc1cccc(c1)SCF 62a_100015361967_100000153616 [1,0,0,0,0,0|3,0,0]=4 193 B13R1.373 CC(=O)Oc1cccc(c1)CS[13CH3] 62a_200009816940_200025704644 [1,0,0,0,0,0|1,1,0]=3 194 B13R1.373 CC(=O)Oc1cccc(c1)CS[13CH3] 62a_200025704644_200009816940 [1,0,0,0,0,0|1,1,0]=3 195 B13R1.373 CC=Cc1cc(ccn1)NC(=O)C 271570a_100016259895_100000238608 [1,0,0,0,0,0|2,0,1]=4 196 B13R1.373 CC=Cc1cccc(c1)CC(=O)C 271570a_100016259895_100000689217 [1,0,0,0,0,0|2,0,1]=4 197 B13R1.373 CC=Cc1cccc(c1)NC(=O)C 271570a_100016259895_100000153616 [1,0,0,0,0,0|1,0,1]=3 198 B13R1.373 CC=Cc1cccc(c1)NC(=O)N 271570a_100016259895_100000238923 [1,0,0,0,0,0|2,0,1]=4 199 B13R1.373 CC=Cc1cccc(c1)OC(=O)C 271570a_100016259895_100009811612 [1,0,0,0,0,0|2,0,1]=4 200 B13R1.373 CC=Cc1cccc(n1)NC(=O)C 271570a_100016259895_200011307899 [1,0,0,0,0,0|2,0,1]=4 201 B13R1.373 CC=Cc1ccnc(c1)NC(=O)C 271570a_100016259895_100012362434 [1,0,0,0,0,0|2,0,1]=4 202 B13R1.373 CC=Cc1cncc(c1)NC(=O)C 271570a_100016259895_100012351681 [1,0,0,0,0,0|2,0,1]=4 203 B13R1.373 CCCc1cccc(c1)C=C(C)C 271570a_100102525489_100000694964 [1,0,0,0,0,0|3,0,0]=4 204 B13R1.373 CCNc1cccc(c1)NC(=O)C 34a_100000749408_100000210202 [1,0,0,0,0,0|2,0,0]=3 205 B13R1.373 CCNc1cccc(c1)NC(=O)N 34a_100000736001_100000210202 [1,0,0,0,0,0|3,0,0]=4 206 B13R1.373 CCOc1cccc(c1)CC(=O)C 1458a_100000690747_200000210301 [1,0,0,0,0,0|3,0,0]=4 207 B13R1.373 CCOc1cccc(c1)CC(=O)[13CH3] 1458a_100000690747_200025704644 [1,0,0,0,0,0|3,0,0]=4 208 B13R1.373 CCOc1cccc(c1)NC(=O)C 11a_100000742568_100015343762 [1,0,0,0,0,0|2,0,0]=3 209 B13R1.373 CCOc1cccc(c1)NC(=O)C 1626a_100000742568_100015343762 [1,0,0,0,0,0|2,0,0]=3 210 B13R1.373 CCOc1cccc(c1)NC(=O)C 22a_100000742568_100000070787 [1,0,0,0,0,0|2,0,0]=3 211 B13R1.373 CCOc1cccc(c1)NC(=O)C 34a_100000158604_100000210202 [1,0,0,0,0,0|2,0,0]=3 212 B13R1.373 CCOc1cccc(c1)NC(=O)C 527a_100000742568_100103153847 [1,0,0,0,0,0|2,0,0]=3 213 B13R1.373 CCOc1cccc(c1)NC(=O)C 7a_100000158604_100000210202 [1,0,0,0,0,0|2,0,0]=3 214 B13R1.373 CCOc1cccc(c1)NC(=O)N 34a_100011219624_100000210202 [1,0,0,0,0,0|3,0,0]=4 215 B13R1.373 CCOc1cccc(c1)NC(=O)N 7a_100011219624_100000210202 [1,0,0,0,0,0|3,0,0]=4 216 B13R1.373 CCOc1cccc(c1)OC(=O)C 7a_100011218754_100000210202 [1,0,0,0,0,0|3,0,0]=4 217 B13R1.373 CCSc1cc(ccn1)NC(=O)C 62a_100000210202_100000238608 [1,0,0,0,0,0|3,0,0]=4 218 B13R1.373 CCSc1cccc(c1)CC(=O)C 62a_100000210202_100000689217 [1,0,0,0,0,0|3,0,0]=4 219 B13R1.373 CCSc1cccc(c1)CC(=O)C 62a_100000689217_100000210202 [1,0,0,0,0,0|3,0,0]=4 220 B13R1.373 CCSc1cccc(c1)NC(=O)C 62a_100000210202_100000153616 [1,0,0,0,0,0|2,0,0]=3 221 B13R1.373 CCSc1cccc(c1)NC(=O)N 62a_100000210202_100000238923 [1,0,0,0,0,0|3,0,0]=4 222 B13R1.373 CCSc1cccc(c1)OC(=O)C 62a_100000210202_100009811612 [1,0,0,0,0,0|3,0,0]=4 223 B13R1.373 CCSc1cccc(n1)NC(=O)C 62a_100000210202_200011307899 [1,0,0,0,0,0|3,0,0]=4 224 B13R1.373 CCSc1ccnc(c1)NC(=O)C 62a_100000210202_100012362434 [1,0,0,0,0,0|3,0,0]=4 225 B13R1.373 CCSc1cncc(c1)NC(=O)C 62a_100000210202_100012351681 [1,0,0,0,0,0|3,0,0]=4 226 B13R1.373 CNCc1cccc(c1)C=C(C)C 271570a_100102525489_100000187585 [1,0,0,0,0,0|3,0,0]=4 227 B13R1.373 CNCc1cccc(c1)NC(=O)C 207a_100102657272_100011257792 [1,0,0,0,0,0|1,0,0]=2 228 B13R1.373 CNCc1cccc(c1)NC(=O)C 2230a_100000740035_200000210301 [1,0,0,0,0,0|1,0,0]=2 229 B13R1.373 CNCc1cccc(c1)NC(=O)C 270004a_106832991635_100011257792 [1,0,0,0,0,0|1,0,0]=2 230 B13R1.373 CNCc1cccc(c1)NC(=O)C 34a_100000740035_200000210301 [1,0,0,0,0,0|1,0,0]=2 231 B13R1.373 CNCc1cccc(c1)OC(=O)C 207a_100102657272_100000014719 [1,0,0,0,0,0|2,0,0]=3 232 B13R1.373 CNCc1cccc(c1)OC(=O)C 2230a_106832991635_200009816940 [1,0,0,0,0,0|2,0,0]=3 233 B13R1.373 CNCc1cccc(c1)OC(=O)C 270004a_106832991635_100000014719 [1,0,0,0,0,0|2,0,0]=3 234 B13R1.373 CNCc1cccc(c1)OC(=O)C 34a_100102657272_200009816940 [1,0,0,0,0,0|2,0,0]=3 235 B13R1.373 CNCc1cccc(c1)OC(=O)C 7a_106832991635_200009816940 [1,0,0,0,0,0|2,0,0]=3 236 B13R1.373 COCc1cccc(c1)C=C(C)C 271570a_100102525489_100011493687 [1,0,0,0,0,0|2,0,0]=3 237 B13R1.373 COCc1cccc(c1)NC(=O)C 11a_100000737370_100015343762 [1,0,0,0,0,0|0,0,0]=1 238 B13R1.373 COCc1cccc(c1)NC(=O)C 1626a_100000737370_100015343762 [1,0,0,0,0,0|0,0,0]=1 239 B13R1.373 COCc1cccc(c1)NC(=O)C 22a_100000737370_100000070787 [1,0,0,0,0,0|0,0,0]=1 240 B13R1.373 COCc1cccc(c1)NC(=O)C 527a_100000737370_100103153847 [1,0,0,0,0,0|0,0,0]=1 241 B13R1.373 COCc1cccc(c1)NC(C)C 2230a_100000737370_100000210206 [1,0,0,0,0,0|1,0,1]=3 242 B13R1.373 COCc1cccc(c1)NC(C)C 34a_100000737370_100000210206 [1,0,0,0,0,0|1,0,1]=3 243 B13R1.373 COCc1cccc(c1)OC(=O)C 34a_100138415774_200009816940 [1,0,0,0,0,0|1,0,0]=2 244 B13R1.373 COCc1cccc(c1)SC(C)C 62a_100000210206_100011493687 [1,0,0,0,0,0|2,0,1]=4 245 B13R1.373 COCc1cccc(c1)SC(C)C 62a_100011493687_100000210206 [1,0,0,0,0,0|2,0,1]=4 246 B13R1.373 CSCc1cccc(c1)OC(=O)C 62a_200000210301_200009816940 [1,0,0,0,0,0|1,1,0]=3 247 B13R1.373 CSCc1cccc(c1)OC(=O)C 62a_200009816940_200000210301 [1,0,0,0,0,0|1,1,0]=3 248 B13R1.384 CC=Cc1cc(ccc1C)COC 271570a_100016259895_200015395492 [1,0,0,0,0,0|2,0,0]=3 249 B13R1.384 CC=Cc1cc(ccc1F)COC 271570a_100016259895_200011493689 [1,0,0,0,0,0|2,0,0]=3 250 B13R1.384 CCNc1cc(ccc1Br)COC 34a_200013033220_100000210202 [1,0,0,0,0,0|1,0,1]=3 251 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [1,0,0,0,0,0|2,0,1]=4 252 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [1,0,0,0,0,0|2,0,1]=4 253 B13R1.384 CCSc1cc(ccc1C)COC 62a_100000210202_200015395492 [1,0,0,0,0,0|2,0,1]=4 254 B13R1.384 CCSc1cc(ccc1C)COC 62a_200015395492_100000210202 [1,0,0,0,0,0|2,0,1]=4 255 B13R1.384 CCSc1cc(ccc1F)COC 62a_100000210202_200011493689 [1,0,0,0,0,0|2,0,1]=4 256 B13R1.384 CCSc1cc(ccc1F)COC 62a_200011493689_100000210202 [1,0,0,0,0,0|2,0,1]=4 257 B13R1.384 COCc1ccc(c(c1)NCF)Br 34a_200013033220_100015361967 [1,0,0,0,0,0|2,0,1]=4 258 B15R1.901 CC(=O)Cc1cc(ccc1O)C=C(C)C 271570a_100102525489_200010006938 [0,1,0,0,0,0|2,0,1]=4 259 B15R1.901 CC(=O)Cc1cc(ccc1O)SC(C)C 62a_100000210206_200010006938 [0,1,0,0,0,0|3,0,0]=4 260 B15R1.901 CC(=O)Cc1cc(ccc1O)SC(C)C 62a_200010006938_100000210206 [0,1,0,0,0,0|3,0,0]=4 261 B15R1.901 CC(=O)Cc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100010141077 [0,1,0,0,0,0|3,0,0]=4 262 B15R1.901 CC(=O)Nc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011344836 [0,1,0,0,0,0|2,0,1]=4 263 B15R1.901 CC(=O)Nc1cc(ccc1C)NC(C)C 34a_100000740626_100000210206 [0,1,0,0,0,0|3,0,0]=4 264 B15R1.901 CC(=O)Nc1cc(ccc1C)NC(C)C 7a_100000740626_100000210206 [0,1,0,0,0,0|3,0,0]=4 265 B15R1.901 CC(=O)Nc1cc(ccc1C)SC(C)C 62a_100000210206_100011344836 [0,1,0,0,0,0|3,0,0]=4 266 B15R1.901 CC(=O)Nc1cc(ccc1Cl)NC(C)C 34a_100000745429_100000210206 [0,1,0,0,0,0|3,0,0]=4 267 B15R1.901 CC(=O)Nc1cc(ccc1Cl)NC(C)C 7a_100000745429_100000210206 [0,1,0,0,0,0|3,0,0]=4 268 B15R1.901 CC(=O)Nc1cc(ccc1F)C=C(C)C 271570a_100102525489_200011951791 [0,1,0,0,0,0|2,0,1]=4 269 B15R1.901 CC(=O)Nc1cc(ccc1F)NC(C)C 34a_100000736141_100000210206 [0,1,0,0,0,0|3,0,0]=4 270 B15R1.901 CC(=O)Nc1cc(ccc1F)NC(C)C 7a_100000736141_100000210206 [0,1,0,0,0,0|3,0,0]=4 271 B15R1.901 CC(=O)Nc1cc(ccc1F)SC(C)C 62a_100000210206_200011951791 [0,1,0,0,0,0|3,0,0]=4 272 B15R1.901 CC(=O)Nc1cc(ccc1O)NC(C)C 34a_100000070259_100000210206 [0,1,0,0,0,0|2,0,0]=3 273 B15R1.901 CC(=O)Nc1cc(ccc1O)NC(C)C 7a_100000070259_100000210206 [0,1,0,0,0,0|2,0,0]=3 274 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)C 11a_100000739390_100015343762 [0,1,0,0,0,0|3,0,0]=4 275 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)C 11a_100000740626_100015343762 [0,1,0,0,0,0|3,0,0]=4 276 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)C 1626a_100000739390_100015343762 [0,1,0,0,0,0|3,0,0]=4 277 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)C 1626a_100000740626_100015343762 [0,1,0,0,0,0|3,0,0]=4 278 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)C 22a_100000739390_100000070787 [0,1,0,0,0,0|3,0,0]=4 279 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)C 22a_100000740626_100000070787 [0,1,0,0,0,0|3,0,0]=4 280 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)C 527a_100000739390_100103153847 [0,1,0,0,0,0|3,0,0]=4 281 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)C 527a_100000740626_100103153847 [0,1,0,0,0,0|3,0,0]=4 282 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 11a_100000742996_100015343762 [0,1,0,0,0,0|3,0,0]=4 283 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 11a_100000745429_100015343762 [0,1,0,0,0,0|3,0,0]=4 284 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 1626a_100000742996_100015343762 [0,1,0,0,0,0|3,0,0]=4 285 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 1626a_100000745429_100015343762 [0,1,0,0,0,0|3,0,0]=4 286 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 22a_100000742996_100000070787 [0,1,0,0,0,0|3,0,0]=4 287 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 22a_100000745429_100000070787 [0,1,0,0,0,0|3,0,0]=4 288 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 527a_100000745429_100103153847 [0,1,0,0,0,0|3,0,0]=4 289 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)F 11a_100000736141_100015343762 [0,1,0,0,0,0|3,0,0]=4 290 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)F 11a_106454645589_100015343762 [0,1,0,0,0,0|3,0,0]=4 291 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)F 1626a_100000736141_100015343762 [0,1,0,0,0,0|3,0,0]=4 292 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)F 1626a_106454645589_100015343762 [0,1,0,0,0,0|3,0,0]=4 293 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)F 22a_100000736141_100000070787 [0,1,0,0,0,0|3,0,0]=4 294 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)F 22a_106454645589_100000070787 [0,1,0,0,0,0|3,0,0]=4 295 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)F 527a_100000736141_100103153847 [0,1,0,0,0,0|3,0,0]=4 296 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)F 527a_106454645589_100103153847 [0,1,0,0,0,0|3,0,0]=4 297 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)O 22a_100000070259_100000070787 [0,1,0,0,0,0|2,0,0]=3 298 B15R1.901 CC(=O)Nc1ccc(c(c1)NC(=O)C)O 527a_100000070259_100103153847 [0,1,0,0,0,0|2,0,0]=3 299 B15R1.991 CCC(=O)c1ccc(c(c1)NC(=O)C)C 1458a_100000194935_100000210202 [0,1,0,0,0,0|2,0,1]=4 300 B15R1.991 CCC(=O)c1ccc(c(c1)NC(=O)C)F 1458a_100000744603_100000210202 [0,1,0,0,0,0|2,0,1]=4 301 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)C 11a_100000737617_100015343762 [0,1,0,0,0,0|2,0,1]=4 302 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)C 11a_106832991635_100000194935 [0,1,0,0,0,0|2,0,1]=4 303 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)C 1626a_100000737617_100015343762 [0,1,0,0,0,0|2,0,1]=4 304 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)C 1626a_100102657272_100000194935 [0,1,0,0,0,0|2,0,1]=4 305 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)C 22a_100000737617_100000070787 [0,1,0,0,0,0|2,0,1]=4 306 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)C 240690a_100102657272_100000194935 [0,1,0,0,0,0|2,0,1]=4 307 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)C 527a_100000737617_100103153847 [0,1,0,0,0,0|2,0,1]=4 308 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)C 527a_100102657272_100000194935 [0,1,0,0,0,0|2,0,1]=4 309 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)Cl 11a_100000740709_100015343762 [0,1,0,0,0,0|2,0,1]=4 310 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)Cl 1626a_100000740709_100015343762 [0,1,0,0,0,0|2,0,1]=4 311 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)F 11a_100011295210_100015343762 [0,1,0,0,0,0|2,0,1]=4 312 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)F 11a_106832991635_100000744603 [0,1,0,0,0,0|2,0,1]=4 313 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)F 1626a_100011295210_100015343762 [0,1,0,0,0,0|2,0,1]=4 314 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)F 1626a_100102657272_100000744603 [0,1,0,0,0,0|2,0,1]=4 315 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)F 22a_100011295210_100000070787 [0,1,0,0,0,0|2,0,1]=4 316 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)F 240690a_100102657272_100000744603 [0,1,0,0,0,0|2,0,1]=4 317 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)F 527a_100011295210_100103153847 [0,1,0,0,0,0|2,0,1]=4 318 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)F 527a_100102657272_100000744603 [0,1,0,0,0,0|2,0,1]=4 319 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)O 240690a_100102657272_100011219828 [0,1,0,0,0,0|1,0,1]=3 320 B15R1.991 COC(=O)c1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100000216328 [0,1,0,0,0,0|2,0,1]=4 321 B15R1.991 COC(=O)c1ccc(c(c1)CC(=O)C)Br 1458a_100000070787_100012232407 [0,1,0,0,0,0|2,0,1]=4 322 B15R1.991 COC(=O)c1ccc(c(c1)CC(=O)C)Cl 1458a_100000070787_100000698984 [0,1,0,0,0,0|2,0,1]=4 323 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)Br 188690a_100011450966_100015343762 [0,1,0,0,0,0|1,0,1]=3 324 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)C 188690a_100000742527_100015343762 [0,1,0,0,0,0|1,0,1]=3 325 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)F 188690a_100000735820_100015343762 [0,1,0,0,0,0|1,0,1]=3 326 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)O 188690a_100000724433_100015343762 [0,1,0,0,0,0|0,0,1]=2 327 B15R1.1058 C#CCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000184674 [0,1,0,0,0,0|2,0,1]=4 328 B15R1.1058 C#CCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000038162 [0,1,0,0,0,0|2,0,1]=4 329 B15R1.1058 C#CCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000184674 [0,1,0,0,0,0|2,0,1]=4 330 B15R1.1058 C#CCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000038162 [0,1,0,0,0,0|2,0,1]=4 331 B15R1.1058 C#CCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000184674 [0,1,0,0,0,0|2,0,1]=4 332 B15R1.1058 C#CCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000038162 [0,1,0,0,0,0|2,0,1]=4 333 B15R1.1058 C#CCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000184674 [0,1,0,0,0,0|1,0,1]=3 334 B15R1.1058 C#CCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000038162 [0,1,0,0,0,0|1,0,1]=3 335 B15R1.1058 C#CCSc1ccc(c(c1)CC(=O)C)O 62a_100000038162_200010006938 [0,1,0,0,0,0|2,0,1]=4 336 B15R1.1058 C#CCSc1ccc(c(c1)NC(=O)C)C 62a_100000038162_100011344836 [0,1,0,0,0,0|2,0,1]=4 337 B15R1.1058 C#CCSc1ccc(c(c1)NC(=O)C)F 62a_100000038162_200011951791 [0,1,0,0,0,0|2,0,1]=4 338 B15R1.1058 C=CCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100015514636 [0,1,0,0,0,0|2,0,1]=4 339 B15R1.1058 C=CCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100015514636 [0,1,0,0,0,0|2,0,1]=4 340 B15R1.1058 C=CCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100015514636 [0,1,0,0,0,0|2,0,1]=4 341 B15R1.1058 C=CCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100015514636 [0,1,0,0,0,0|2,0,1]=4 342 B15R1.1058 C=CCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100015514636 [0,1,0,0,0,0|2,0,1]=4 343 B15R1.1058 C=CCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100015514636 [0,1,0,0,0,0|2,0,1]=4 344 B15R1.1058 C=CCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100015514636 [0,1,0,0,0,0|1,0,1]=3 345 B15R1.1058 C=CCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100015514636 [0,1,0,0,0,0|1,0,1]=3 346 B15R1.1058 C=CCSc1ccc(c(c1)CC(=O)C)O 62a_100000210623_200010006938 [0,1,0,0,0,0|2,0,1]=4 347 B15R1.1058 C=CCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000210623 [0,1,0,0,0,0|2,0,1]=4 348 B15R1.1058 C=CCSc1ccc(c(c1)NC(=O)C)C 62a_100000210623_100011344836 [0,1,0,0,0,0|2,0,1]=4 349 B15R1.1058 C=CCSc1ccc(c(c1)NC(=O)C)F 62a_100000210623_200011951791 [0,1,0,0,0,0|2,0,1]=4 350 B15R1.1058 CC(=O)Cc1cc(ccc1O)SCC#N 62a_100011215382_200010006938 [0,1,0,0,0,0|3,0,0]=4 351 B15R1.1058 CC(=O)Cc1cc(ccc1O)SCC#N 62a_200010006938_100011215382 [0,1,0,0,0,0|3,0,0]=4 352 B15R1.1058 CC(=O)Cc1cc(ccc1O)SCC=O 62a_200010006938_200015260668 [0,1,0,0,0,0|3,0,0]=4 353 B15R1.1058 CC(=O)Cc1cc(ccc1O)SCC=O 62a_200015260668_200010006938 [0,1,0,0,0,0|3,0,0]=4 354 B15R1.1058 CC(=O)Cc1cc(ccc1O)SCCF 62a_100011217306_200010006938 [0,1,0,0,0,0|3,0,0]=4 355 B15R1.1058 CC(=O)Cc1cc(ccc1O)SCCF 62a_200010006938_100011217306 [0,1,0,0,0,0|3,0,0]=4 356 B15R1.1058 CC(=O)Cc1cc(ccc1O)SCCO 62a_100000211926_200010006938 [0,1,0,0,0,0|3,0,0]=4 357 B15R1.1058 CC(=O)Cc1cc(ccc1O)SCCO 62a_200010006938_100000211926 [0,1,0,0,0,0|3,0,0]=4 358 B15R1.1058 CC(=O)Nc1cc(ccc1C)NCC#N 7a_100000740626_100011215382 [0,1,0,0,0,0|3,0,0]=4 359 B15R1.1058 CC(=O)Nc1cc(ccc1C)NCC=O 34a_100000740626_200009817547 [0,1,0,0,0,0|3,0,0]=4 360 B15R1.1058 CC(=O)Nc1cc(ccc1C)NCC=O 7a_100000740626_200015260668 [0,1,0,0,0,0|3,0,0]=4 361 B15R1.1058 CC(=O)Nc1cc(ccc1C)NCCF 34a_100000740626_100011217306 [0,1,0,0,0,0|3,0,0]=4 362 B15R1.1058 CC(=O)Nc1cc(ccc1C)NCCF 7a_100000740626_100011217306 [0,1,0,0,0,0|3,0,0]=4 363 B15R1.1058 CC(=O)Nc1cc(ccc1C)NCCO 34a_100000740626_100000211926 [0,1,0,0,0,0|3,0,0]=4 364 B15R1.1058 CC(=O)Nc1cc(ccc1C)NCCO 7a_100000740626_100000211926 [0,1,0,0,0,0|3,0,0]=4 365 B15R1.1058 CC(=O)Nc1cc(ccc1C)OCCO 22a_100012283766_100000070787 [0,1,0,0,0,0|3,0,0]=4 366 B15R1.1058 CC(=O)Nc1cc(ccc1C)OCCO 527a_100012283766_100103153847 [0,1,0,0,0,0|3,0,0]=4 367 B15R1.1058 CC(=O)Nc1cc(ccc1C)SCC#N 62a_100011215382_100011344836 [0,1,0,0,0,0|3,0,0]=4 368 B15R1.1058 CC(=O)Nc1cc(ccc1C)SCC=O 62a_200015260668_100011344836 [0,1,0,0,0,0|3,0,0]=4 369 B15R1.1058 CC(=O)Nc1cc(ccc1C)SCCF 62a_100011217306_100011344836 [0,1,0,0,0,0|3,0,0]=4 370 B15R1.1058 CC(=O)Nc1cc(ccc1C)SCCO 62a_100000211926_100011344836 [0,1,0,0,0,0|3,0,0]=4 371 B15R1.1058 CC(=O)Nc1cc(ccc1Cl)NCC#N 7a_100000745429_100011215382 [0,1,0,0,0,0|3,0,0]=4 372 B15R1.1058 CC(=O)Nc1cc(ccc1Cl)NCC=O 34a_100000745429_200009817547 [0,1,0,0,0,0|3,0,0]=4 373 B15R1.1058 CC(=O)Nc1cc(ccc1Cl)NCC=O 7a_100000745429_200015260668 [0,1,0,0,0,0|3,0,0]=4 374 B15R1.1058 CC(=O)Nc1cc(ccc1Cl)NCCF 34a_100000745429_100011217306 [0,1,0,0,0,0|3,0,0]=4 375 B15R1.1058 CC(=O)Nc1cc(ccc1Cl)NCCF 7a_100000745429_100011217306 [0,1,0,0,0,0|3,0,0]=4 376 B15R1.1058 CC(=O)Nc1cc(ccc1Cl)NCCO 34a_100000745429_100000211926 [0,1,0,0,0,0|3,0,0]=4 377 B15R1.1058 CC(=O)Nc1cc(ccc1Cl)NCCO 7a_100000745429_100000211926 [0,1,0,0,0,0|3,0,0]=4 378 B15R1.1058 CC(=O)Nc1cc(ccc1F)NCC#N 7a_100000736141_100011215382 [0,1,0,0,0,0|3,0,0]=4 379 B15R1.1058 CC(=O)Nc1cc(ccc1F)NCC=O 34a_100000736141_200009817547 [0,1,0,0,0,0|3,0,0]=4 380 B15R1.1058 CC(=O)Nc1cc(ccc1F)NCC=O 7a_100000736141_200015260668 [0,1,0,0,0,0|3,0,0]=4 381 B15R1.1058 CC(=O)Nc1cc(ccc1F)NCCF 34a_100000736141_100011217306 [0,1,0,0,0,0|3,0,0]=4 382 B15R1.1058 CC(=O)Nc1cc(ccc1F)NCCF 7a_100000736141_100011217306 [0,1,0,0,0,0|3,0,0]=4 383 B15R1.1058 CC(=O)Nc1cc(ccc1F)NCCO 34a_100000736141_100000211926 [0,1,0,0,0,0|3,0,0]=4 384 B15R1.1058 CC(=O)Nc1cc(ccc1F)NCCO 7a_100000736141_100000211926 [0,1,0,0,0,0|3,0,0]=4 385 B15R1.1058 CC(=O)Nc1cc(ccc1F)SCC#N 62a_100011215382_200011951791 [0,1,0,0,0,0|3,0,0]=4 386 B15R1.1058 CC(=O)Nc1cc(ccc1F)SCC=O 62a_200015260668_200011951791 [0,1,0,0,0,0|3,0,0]=4 387 B15R1.1058 CC(=O)Nc1cc(ccc1F)SCCF 62a_100011217306_200011951791 [0,1,0,0,0,0|3,0,0]=4 388 B15R1.1058 CC(=O)Nc1cc(ccc1F)SCCO 62a_100000211926_200011951791 [0,1,0,0,0,0|3,0,0]=4 389 B15R1.1058 CC(=O)Nc1cc(ccc1O)NCC#N 7a_100000070259_100011215382 [0,1,0,0,0,0|2,0,0]=3 390 B15R1.1058 CC(=O)Nc1cc(ccc1O)NCC=O 34a_100000070259_200009817547 [0,1,0,0,0,0|2,0,0]=3 391 B15R1.1058 CC(=O)Nc1cc(ccc1O)NCC=O 7a_100000070259_200015260668 [0,1,0,0,0,0|2,0,0]=3 392 B15R1.1058 CC(=O)Nc1cc(ccc1O)NCCF 34a_100000070259_100011217306 [0,1,0,0,0,0|2,0,0]=3 393 B15R1.1058 CC(=O)Nc1cc(ccc1O)NCCF 7a_100000070259_100011217306 [0,1,0,0,0,0|2,0,0]=3 394 B15R1.1058 CC(=O)Nc1cc(ccc1O)NCCO 34a_100000070259_100000211926 [0,1,0,0,0,0|2,0,0]=3 395 B15R1.1058 CC(=O)Nc1cc(ccc1O)NCCO 7a_100000070259_100000211926 [0,1,0,0,0,0|2,0,0]=3 396 B15R1.1058 CCCCc1ccc(c(c1)CC(=O)C)O 271570a_100020621405_200010006938 [0,1,0,0,0,0|2,0,0]=3 397 B15R1.1058 CCCCc1ccc(c(c1)NC(=O)C)C 271570a_100020621405_100011344836 [0,1,0,0,0,0|2,0,0]=3 398 B15R1.1058 CCCCc1ccc(c(c1)NC(=O)C)F 271570a_100020621405_200011951791 [0,1,0,0,0,0|2,0,0]=3 399 B15R1.1058 CCCCc1ccc(c(c1)OC(=O)C)C 271570a_100020621405_100103282185 [0,1,0,0,0,0|3,0,0]=4 400 B15R1.1058 CCCCc1cnc(c(c1)NC(=O)C)C 271570a_100020621405_100010117071 [0,1,0,0,0,0|3,0,0]=4 401 B15R1.1058 CCCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000210303 [0,1,0,0,0,0|2,0,0]=3 402 B15R1.1058 CCCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000210303 [0,1,0,0,0,0|2,0,0]=3 403 B15R1.1058 CCCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000210303 [0,1,0,0,0,0|2,0,0]=3 404 B15R1.1058 CCCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000210303 [0,1,0,0,0,0|2,0,0]=3 405 B15R1.1058 CCCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000210303 [0,1,0,0,0,0|2,0,0]=3 406 B15R1.1058 CCCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000210303 [0,1,0,0,0,0|2,0,0]=3 407 B15R1.1058 CCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000210303 [0,1,0,0,0,0|1,0,0]=2 408 B15R1.1058 CCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000210303 [0,1,0,0,0,0|1,0,0]=2 409 B15R1.1058 CCCSc1ccc(c(c1)CC(=O)C)O 62a_100000210303_200010006938 [0,1,0,0,0,0|2,0,0]=3 410 B15R1.1058 CCCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000210303 [0,1,0,0,0,0|2,0,0]=3 411 B15R1.1058 CCCSc1ccc(c(c1)NC(=O)C)C 62a_100000210303_100011344836 [0,1,0,0,0,0|2,0,0]=3 412 B15R1.1058 CCCSc1ccc(c(c1)NC(=O)C)F 62a_100000210303_200011951791 [0,1,0,0,0,0|2,0,0]=3 413 B15R1.1058 CCCSc1ccc(c(c1)OC(=O)C)C 62a_100000210303_100103282185 [0,1,0,0,0,0|3,0,0]=4 414 B15R1.1058 CCCSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_100000210303 [0,1,0,0,0,0|3,0,0]=4 415 B15R1.1058 CCCSc1cnc(c(c1)NC(=O)C)C 62a_100000210303_100010117071 [0,1,0,0,0,0|3,0,0]=4 416 B15R1.1058 CCCSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_100000210303 [0,1,0,0,0,0|3,0,0]=4 417 B15R1.1058 COCOc1ccc(c(c1)C=C(C)C)C 271570a_100102525489_200015918306 [0,1,0,0,0,0|3,0,0]=4 418 B15R1.1058 COCSc1ccc(c(c1)CC(=O)C)O 62a_100000766300_200010006938 [0,1,0,0,0,0|1,0,0]=2 419 B15R1.1058 COCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000766300 [0,1,0,0,0,0|1,0,0]=2 420 B15R1.1058 COCSc1ccc(c(c1)NC(=O)C)C 62a_100000766300_100011344836 [0,1,0,0,0,0|1,0,0]=2 421 B15R1.1058 COCSc1ccc(c(c1)NC(=O)C)F 62a_100000766300_200011951791 [0,1,0,0,0,0|1,0,0]=2 422 B15R1.1058 COCSc1ccc(c(c1)NC(C)C)C 62a_100000766300_200000714908 [0,1,0,0,0,0|2,0,1]=4 423 B15R1.1058 COCSc1ccc(c(c1)NC(C)C)C 62a_200000714908_100000766300 [0,1,0,0,0,0|2,0,1]=4 424 B15R1.1058 COCSc1ccc(c(c1)OC(=O)C)C 62a_100000766300_100103282185 [0,1,0,0,0,0|2,0,0]=3 425 B15R1.1058 COCSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_100000766300 [0,1,0,0,0,0|2,0,0]=3 426 B15R1.1058 COCSc1cnc(c(c1)NC(=O)C)C 62a_100000766300_100010117071 [0,1,0,0,0,0|2,0,0]=3 427 B15R1.1058 COCSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_100000766300 [0,1,0,0,0,0|2,0,0]=3 428 B15R1.1058 CSCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100011218213 [0,1,0,0,0,0|1,1,0]=3 429 B15R1.1058 CSCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100011218213 [0,1,0,0,0,0|1,1,0]=3 430 B15R1.1058 CSCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100011218213 [0,1,0,0,0,0|1,1,0]=3 431 B15R1.1058 CSCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100011218213 [0,1,0,0,0,0|0,1,0]=2 432 B15R1.1058 CSCSc1ccc(c(c1)CC(=O)C)O 62a_100011218213_200010006938 [0,1,0,0,0,0|1,1,0]=3 433 B15R1.1058 CSCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100011218213 [0,1,0,0,0,0|1,1,0]=3 434 B15R1.1058 CSCSc1ccc(c(c1)NC(=O)C)C 62a_100011218213_100011344836 [0,1,0,0,0,0|1,1,0]=3 435 B15R1.1058 CSCSc1ccc(c(c1)NC(=O)C)F 62a_100011218213_200011951791 [0,1,0,0,0,0|1,1,0]=3 436 B15R1.1058 CSCSc1ccc(c(c1)OC(=O)C)C 62a_100011218213_100103282185 [0,1,0,0,0,0|2,1,0]=4 437 B15R1.1058 CSCSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_100011218213 [0,1,0,0,0,0|2,1,0]=4 438 B15R1.1058 CSCSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_100011218213 [0,1,0,0,0,0|2,1,0]=4 439 B15R1.1058 CSCSc1cnc(c(c1)NC(=O)C)C 62a_100011218213_100010117071 [0,1,0,0,0,0|2,1,0]=4 440 B15R1.3888 CC=Cc1cc(c(cc1F)F)NC(=O)C 271570a_100016259895_200013902858 [0,1,0,0,0,0|2,0,1]=4 441 B15R1.3888 CCOc1cc(c(cc1Cl)Cl)NC(=O)C 34a_200000039401_100000210202 [0,1,0,0,0,0|3,0,0]=4 442 B15R1.3888 CCOc1cc(c(cc1Cl)Cl)NC(=O)C 7a_200000039401_100000210202 [0,1,0,0,0,0|3,0,0]=4 443 B15R1.3888 CCSc1cc(c(cc1F)F)NC(=O)C 62a_100000210202_200013902858 [0,1,0,0,0,0|3,0,0]=4 444 B15R1.3888 CCSc1cc(c(cc1F)F)NC(=O)C 62a_200013902858_100000210202 [0,1,0,0,0,0|3,0,0]=4 445 B15R1.3888 CNCc1cc(c(cc1Cl)Cl)NC(=O)C 26a_100102657272_200000039401 [0,1,0,0,0,0|2,0,0]=3 446 B15R1.9633 COCc1ccc(c(c1)NC(C)(C)C)Br 34a_200013033220_100000210625 [0,1,0,0,0,0|2,0,1]=4 447 B15R1.9655 COCc1ccc(c(c1)C(=C(C)C)C)C 271570a_200000049429_200015395492 [0,1,0,0,0,0|3,0,0]=4 448 B15R1.9655 COCc1ccc(c(c1)C(=C(C)C)C)F 271570a_200000049429_200011493689 [0,1,0,0,0,0|3,0,0]=4 449 B15R1.9656 C=C=Cc1ccc(c(c1)NC(=O)C)OC 271570a_100015277604_200011407902 [0,1,0,0,0,0|1,0,2]=4 450 B15R1.9656 CC=Cc1ccc(c(c1)CC(=O)C)OC 271570a_100016259895_200011493461 [0,1,0,0,0,0|2,0,1]=4 451 B15R1.9656 CC=Cc1ccc(c(c1)NC(=O)C)OC 271570a_100016259895_200011407902 [0,1,0,0,0,0|1,0,1]=3 452 B15R1.9656 CC=Cc1ccc(c(c1)OC(=O)C)OC 271570a_100016259895_200011016479 [0,1,0,0,0,0|2,0,1]=4 453 B15R1.9656 CCNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100000210202 [0,1,0,0,0,0|2,0,0]=3 454 B15R1.9656 CCNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100000210202 [0,1,0,0,0,0|2,0,0]=3 455 B15R1.9656 CCSc1ccc(c(c1)CC(=O)C)OC 62a_200011493461_100000210202 [0,1,0,0,0,0|3,0,0]=4 456 B15R1.9656 CCSc1ccc(c(c1)NC(=O)C)OC 62a_100000210202_200011407902 [0,1,0,0,0,0|2,0,0]=3 457 B15R1.9656 CNCc1ccc(c(c1)OC(=O)C)OC 207a_100102657272_100000014717 [0,1,0,0,0,0|2,0,0]=3 458 B15R1.9656 CNCc1ccc(c(c1)OC(=O)C)OC 270004a_106832991635_100000014717 [0,1,0,0,0,0|2,0,0]=3 459 B15R1.9656 COc1ccc(cc1NC(=O)C)NCF 34a_100000736378_100015361967 [0,1,0,0,0,0|3,0,0]=4 460 B15R1.9656 COc1ccc(cc1NC(=O)C)NCF 7a_100000736378_100015361967 [0,1,0,0,0,0|3,0,0]=4 461 B15R1.9656 COc1ccc(cc1NC(=O)C)SCF 62a_100015361967_200011407902 [0,1,0,0,0,0|3,0,0]=4 462 B15R1.9657 C#CC(C)Nc1cc(ccc1Br)COC 34a_200013033220_200000035995 [0,1,0,0,0,0|2,0,1]=4 463 B15R1.9657 C=CC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000185746 [0,1,0,0,0,0|1,0,1]=3 464 B15R1.9657 CC=Cc1ccc(c(c1)CC(=O)OC)O 271570a_100016259895_100010185610 [0,1,0,0,0,0|2,0,1]=4 465 B15R1.9657 CCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000210414 [0,1,0,0,0,0|1,0,0]=2 466 B15R1.9657 CCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000210414 [0,1,0,0,0,0|1,0,0]=2 467 B15R1.9657 CCC(C)Nc1cc(ccc1Br)COC 34a_200013033220_100011215416 [0,1,0,0,0,0|2,0,1]=4 468 B15R1.9657 CCNc1ccc(c(c1)NC(=O)CC)C 34a_200011193571_100000210202 [0,1,0,0,0,0|3,0,0]=4 469 B15R1.9657 CCNc1ccc(c(c1)NC(=O)CC)C 7a_200011193571_100000210202 [0,1,0,0,0,0|3,0,0]=4 470 B15R1.9657 CCSc1ccc(c(c1)CC(=O)OC)O 62a_100000210202_100010185610 [0,1,0,0,0,0|3,0,0]=4 471 B15R1.9657 CCSc1ccc(c(c1)CC(=O)OC)O 62a_100010185610_100000210202 [0,1,0,0,0,0|3,0,0]=4 472 B15R1.9657 CNC(=O)Nc1cc(ccc1Br)COC 2430a_200013033220_100102657272 [0,1,0,0,0,0|1,0,0]=2 473 B15R1.9657 COCc1ccc(c(c1)NC(C)CO)Br 34a_200013033220_100012180447 [0,1,0,0,0,0|1,0,2]=4 474 B15R1.16576 CCNc1ccc(c(c1F)NC(=O)C)F 34a_100009824841_100000210202 [0,1,0,0,0,0|3,0,0]=4 475 B15R1.16576 CCOc1ccc(c(c1F)NC(=O)C)F 11a_100000061554_100015343762 [0,1,0,0,0,0|3,0,0]=4 476 B15R1.16576 CCOc1ccc(c(c1F)NC(=O)C)F 1626a_100000061554_100015343762 [0,1,0,0,0,0|3,0,0]=4 477 B15R2.964 CC(=Cc1cc2c(cc1O)CCC2)C 271570a_100102525489_200010659162 [0,0,0,1,0,0|3,0,0]=4 478 B15R2.964 CC(=O)Nc1cc2c(cc1O)CCC2 271570a_203496583355_100010204489 [0,0,0,1,0,0|1,0,0]=2 479 B15R2.1282 C=C=Cc1ccc2c(c1)NC(=O)CO2 271570a_100015277604_100000244627 [0,0,0,1,0,0|1,0,2]=4 480 B15R2.1282 CC=Cc1ccc2c(c1)NC(=O)CC2 271570a_100016259895_100000763451 [0,0,0,1,0,0|2,0,1]=4 481 B15R2.1282 CC=Cc1ccc2c(c1)NC(=O)CO2 271570a_100016259895_100000244627 [0,0,0,1,0,0|1,0,1]=3 482 B15R2.1282 CC=Cc1ccc2c(c1)NC(=O)CS2 271570a_100016259895_100012361575 [0,0,0,1,0,0|1,1,1]=4 483 B15R2.1282 CC=Cc1ccc2c(n1)NC(=O)CO2 271570a_100016259895_100010235088 [0,0,0,1,0,0|2,0,1]=4 484 B15R2.1282 CC=Cc1cnc2c(c1)NC(=O)CO2 271570a_100016259895_100000699640 [0,0,0,1,0,0|2,0,1]=4 485 B15R2.1282 CCNc1ccc2c(c1)NC(=O)CC2 2230a_100000055022_100000210202 [0,0,0,1,0,0|3,0,0]=4 486 B15R2.1282 CCNc1ccc2c(c1)NC(=O)CC2 34a_100000055022_100000210202 [0,0,0,1,0,0|3,0,0]=4 487 B15R2.1282 CCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000210202 [0,0,0,1,0,0|2,0,0]=3 488 B15R2.1282 CCOc1ccc2c(c1)NC(=O)CC2 34a_100000708604_100000210202 [0,0,0,1,0,0|3,0,0]=4 489 B15R2.1282 CCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000210202 [0,0,0,1,0,0|2,0,0]=3 490 B15R2.1282 CCSc1ccc2c(c1)NC(=O)CC2 62a_100000210202_100000763451 [0,0,0,1,0,0|3,0,0]=4 491 B15R2.1282 CCSc1ccc2c(c1)NC(=O)CC2 62a_100000763451_100000210202 [0,0,0,1,0,0|3,0,0]=4 492 B15R2.1282 CCSc1cnc2c(c1)NC(=O)CO2 62a_100000210202_100000699640 [0,0,0,1,0,0|3,0,0]=4 493 B15R2.1282 CNCc1ccc2c(c1)NC(=O)CO2 270004a_106832991635_100000766376 [0,0,0,1,0,0|1,0,0]=2 494 B15R2.1282 O=C1COc2ccc(cc2N1)OCF 34a_100009876821_100015361967 [0,0,0,1,0,0|3,0,0]=4 495 B15R2.1311 COCc1ccc(c(c1)NC2CC2)Br 34a_200013033220_100000211595 [0,0,0,1,0,0|2,0,1]=4 496 B15R2.7192 CC(=O)Nc1c(ccc2c1CCC2)Br 11a_202495424074_100015343762 [0,0,0,1,0,0|2,0,0]=3 497 B15R2.7192 CC(=O)Nc1c(ccc2c1CCC2)Br 1626a_202495424074_100015343762 [0,0,0,1,0,0|2,0,0]=3 498 B15R2.7192 CC(=O)Nc1c(ccc2c1CCC2)C 11a_202495413831_100015343762 [0,0,0,1,0,0|2,0,0]=3 499 B15R2.7192 CC(=O)Nc1c(ccc2c1CCC2)C 1626a_202495413831_100015343762 [0,0,0,1,0,0|2,0,0]=3 500 B15R2.7192 CC(=O)Nc1c(ccc2c1CCC2)C 22a_202495413831_100000070787 [0,0,0,1,0,0|2,0,0]=3 501 B15R2.12842 CC=Cc1ccc(c2c1CC(=O)N2)F 271570a_100016259895_100012355367 [0,0,0,1,0,0|2,0,1]=4 502 B15R2.12842 CCSc1ccc(c2c1CC(=O)N2)F 62a_100000210202_100012355367 [0,0,0,1,0,0|3,0,0]=4 503 B15R2.18904 CC(=Cc1cc(ccc1O)C2CC2)C 271570a_100102525489_100135415898 [0,0,0,1,0,0|3,0,0]=4 504 B15R2.18904 CC(=O)Cc1cc(ccc1O)C2CC2 271570a_100011220607_200010006938 [0,0,0,1,0,0|2,0,0]=3 505 B15R2.18904 CC(=O)Nc1cc(ccc1C)C2CC2 271570a_100011220607_100011344836 [0,0,0,1,0,0|2,0,0]=3 506 B15R2.18904 CC(=O)Nc1cc(ccc1F)C2CC2 11a_102516457221_100015343762 [0,0,0,1,0,0|2,0,0]=3 507 B15R2.18904 CC(=O)Nc1cc(ccc1F)C2CC2 1626a_102516457221_100015343762 [0,0,0,1,0,0|2,0,0]=3 508 B15R2.18904 CC(=O)Nc1cc(ccc1F)C2CC2 22a_102516457221_100000070787 [0,0,0,1,0,0|2,0,0]=3 509 B15R2.18904 CC(=O)Nc1cc(ccc1F)C2CC2 271570a_100011220607_200011951791 [0,0,0,1,0,0|2,0,0]=3 510 B15R2.18904 CC(=O)Nc1cc(ccc1F)C2CC2 527a_102516457221_100103153847 [0,0,0,1,0,0|2,0,0]=3 511 B15R2.18904 CC(=O)Nc1cc(cnc1C)C2CC2 271570a_100011220607_100010117071 [0,0,0,1,0,0|3,0,0]=4 512 B15R2.18904 CC(=O)Oc1cc(ccc1C)C2CC2 271570a_100011220607_100103282185 [0,0,0,1,0,0|3,0,0]=4 513 B13R1.387 C=C(C)c1cc(ccc1C)COC 271570a_100000694244_200015395492 [0,0,0,0,1,0|2,0,0]=3 514 B13R1.387 C=C(C)c1cc(ccc1F)COC 271570a_100000694244_200011493689 [0,0,0,0,1,0|2,0,0]=3 515 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)O 271570a_100015277604_100000212127 [0,0,0,0,1,0|1,0,2]=4 516 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)C 271570a_100016259895_100012706819 [0,0,0,0,1,0|2,0,1]=4 517 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100016259895_100010712560 [0,0,0,0,1,0|2,0,1]=4 518 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)F 271570a_100016259895_100000689017 [0,0,0,0,1,0|2,0,1]=4 519 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)N 271570a_100016259895_100000695420 [0,0,0,0,1,0|2,0,1]=4 520 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,0,0,0,1,0|1,0,1]=3 521 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016259895_100000192807 [0,0,0,0,1,0|2,0,1]=4 522 B13R1.387 CCOc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_100000210202 [0,0,0,0,1,0|3,0,0]=4 523 B13R1.387 CCOc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_100000210202 [0,0,0,0,1,0|3,0,0]=4 524 B13R1.387 CCOc1ccc(c(c1)C(=O)C)F 34a_100000091700_100000210202 [0,0,0,0,1,0|3,0,0]=4 525 B13R1.387 CCOc1ccc(c(c1)C(=O)C)F 7a_100000091700_100000210202 [0,0,0,0,1,0|3,0,0]=4 526 B13R1.387 CCOc1ccc(c(c1)C(=O)C)O 1458a_200011255221_200000210301 [0,0,0,0,1,0|2,0,0]=3 527 B13R1.387 CCOc1ccc(c(c1)C(=O)[13CH3])O 1458a_200011255221_200025704644 [0,0,0,0,1,0|2,0,0]=3 528 B13R1.387 CCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100000210202 [0,0,0,0,1,0|3,0,0]=4 529 B13R1.387 CCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100000210202 [0,0,0,0,1,0|3,0,0]=4 530 B13R1.387 CCSc1ccc(c(c1)C(=O)C)F 62a_100000210202_100010254839 [0,0,0,0,1,0|3,0,0]=4 531 B13R1.387 CCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100000210202 [0,0,0,0,1,0|3,0,0]=4 532 B13R1.387 CCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100000210202 [0,0,0,0,1,0|3,0,0]=4 533 B13R1.387 CCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000210202 [0,0,0,0,1,0|3,0,0]=4 534 B13R1.387 CNCc1ccc(c(c1)C(=O)C)Cl 26a_100102657272_100009867868 [0,0,0,0,1,0|2,0,0]=3 535 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])O 2230a_106832991635_100010149780 [0,0,0,0,1,0|3,0,0]=4 536 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])O 7a_106832991635_100010149780 [0,0,0,0,1,0|3,0,0]=4 537 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])Br 34a_100138415774_100000693152 [0,0,0,0,1,0|3,0,0]=4 538 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])C 34a_100138415774_100000042939 [0,0,0,0,1,0|3,0,0]=4 539 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])C 7a_100011216690_200000210301 [0,0,0,0,1,0|3,0,0]=4 540 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000756607_200000210301 [0,0,0,0,1,0|3,0,0]=4 541 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])F 34a_100000039452_200000210301 [0,0,0,0,1,0|3,0,0]=4 542 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])F 34a_100138415774_100009816672 [0,0,0,0,1,0|3,0,0]=4 543 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])F 7a_100000039452_200000210301 [0,0,0,0,1,0|3,0,0]=4 544 B13R1.387 Cc1ccc(cc1[N+](=O)[O-])CO[13CH3] 7a_100011216690_200025704644 [0,0,0,0,1,0|3,0,0]=4 545 B13R1.387 [13CH3]OCc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000756607_200025704644 [0,0,0,0,1,0|3,0,0]=4 546 B13R1.387 [13CH3]OCc1ccc(c(c1)[N+](=O)[O-])F 34a_100000039452_200025704644 [0,0,0,0,1,0|3,0,0]=4 547 B13R1.387 [13CH3]OCc1ccc(c(c1)[N+](=O)[O-])F 7a_100000039452_200025704644 [0,0,0,0,1,0|3,0,0]=4 548 B15R1.9632 C=C(C)CNc1cc(ccc1Br)COC 34a_200013033220_100000748629 [0,0,0,0,0,1|2,0,0]=3 549 B15R1.9632 C=C(C)CSc1cc(ccc1C)COC 62a_100000748629_200015395492 [0,0,0,0,0,1|3,0,0]=4 550 B15R1.9632 C=C(C)CSc1cc(ccc1C)COC 62a_200015395492_100000211660 [0,0,0,0,0,1|3,0,0]=4 551 B15R1.9632 C=C(C)CSc1cc(ccc1F)COC 62a_100000748629_200011493689 [0,0,0,0,0,1|3,0,0]=4 552 B15R1.9632 C=C(C)CSc1cc(ccc1F)COC 62a_200011493689_100000211660 [0,0,0,0,0,1|3,0,0]=4 553 B15R1.9632 C=C(F)CNc1cc(ccc1Br)COC 34a_200013033220_100009893438 [0,0,0,0,0,1|2,0,1]=4 554 B15R1.9632 COCc1ccc(c(c1)NCC(=O)N)Br 34a_200013033220_100000187820 [0,0,0,0,0,1|2,0,0]=3 555 B15R1.9632 COCc1ccc(c(c1)NCC(=O)[O-])Br 34a_200013033220_100020667443 [0,0,0,0,0,1|2,0,0]=3 556 B15R1.9632 COCc1ccc(c(c1)NCC(C)C)Br 34a_200013033220_100000210624 [0,0,0,0,0,1|2,0,1]=4 557 B15R1.9632 COCc1ccc(c(c1)NCC(C)O)Br 34a_200013033220_100011218427 [0,0,0,0,0,1|1,0,2]=4 558 B15R1.9632 COCc1ccc(c(c1)NC[C@@H](C)O)Br 34a_200013033220_100009817552 [0,0,0,0,0,1|1,0,2]=4 559 B15R1.9632 COCc1ccc(c(c1)NC[N+](=O)[O-])Br 34a_200013033220_100000761209 [0,0,0,0,0,1|3,0,0]=4 560 B15R1.9632 COCc1ccc(c(c1)SCC(=O)N)C 62a_100000747473_200015395492 [0,0,0,0,0,1|3,0,0]=4 561 B15R1.9632 COCc1ccc(c(c1)SCC(=O)N)C 62a_200015395492_100000747473 [0,0,0,0,0,1|3,0,0]=4 562 B15R1.9632 COCc1ccc(c(c1)SCC(=O)N)F 62a_100000747473_200011493689 [0,0,0,0,0,1|3,0,0]=4 563 B15R1.9632 COCc1ccc(c(c1)SCC(=O)N)F 62a_200011493689_100000747473 [0,0,0,0,0,1|3,0,0]=4 564 B15R1.9632 COCc1ccc(c(c1)SCC(=O)[O-])C 62a_100020667443_200015395492 [0,0,0,0,0,1|3,0,0]=4 565 B15R1.9632 COCc1ccc(c(c1)SCC(=O)[O-])C 62a_200015395492_100020667443 [0,0,0,0,0,1|3,0,0]=4 566 B15R1.9632 COCc1ccc(c(c1)SCC(=O)[O-])F 62a_100020667443_200011493689 [0,0,0,0,0,1|3,0,0]=4 567 B15R1.9632 COCc1ccc(c(c1)SCC(=O)[O-])F 62a_200011493689_100020667443 [0,0,0,0,0,1|3,0,0]=4 568 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [2,0,0,0,0,0|2,0,0]=4 569 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [2,0,0,0,0,0|2,0,0]=4 570 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [2,0,0,0,0,0|2,0,0]=4 571 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [2,0,0,0,0,0|2,0,0]=4 572 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [2,0,0,0,0,0|2,0,0]=4 573 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [2,0,0,0,0,0|2,0,0]=4 574 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [2,0,0,0,0,0|2,0,0]=4 575 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [2,0,0,0,0,0|2,0,0]=4 576 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [2,0,0,0,0,0|2,0,0]=4 577 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [2,0,0,0,0,0|2,0,0]=4 578 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [2,0,0,0,0,0|1,0,0]=3 579 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [2,0,0,0,0,0|1,0,0]=3 580 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [2,0,0,0,0,0|2,0,0]=4 581 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100015343762 [2,0,0,0,0,0|2,0,0]=4 582 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100015343762 [2,0,0,0,0,0|2,0,0]=4 583 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [2,0,0,0,0,0|1,0,0]=3 584 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [2,0,0,0,0,0|1,0,0]=3 585 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100015343762 [2,0,0,0,0,0|2,0,0]=4 586 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100015343762 [2,0,0,0,0,0|2,0,0]=4 587 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100015343762 [2,0,0,0,0,0|2,0,0]=4 588 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100015343762 [2,0,0,0,0,0|2,0,0]=4 589 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100015343762 [2,0,0,0,0,0|2,0,0]=4 590 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100015343762 [2,0,0,0,0,0|2,0,0]=4 591 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [2,0,0,0,0,0|1,0,0]=3 592 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [2,0,0,0,0,0|1,0,0]=3 593 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [2,0,0,0,0,0|2,0,0]=4 594 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [2,0,0,0,0,0|2,0,0]=4 595 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [2,0,0,0,0,0|2,0,0]=4 596 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [2,0,0,0,0,0|2,0,0]=4 597 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [2,0,0,0,0,0|1,0,0]=3 598 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [2,0,0,0,0,0|1,0,0]=3 599 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [2,0,0,0,0,0|1,0,0]=3 600 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [2,0,0,0,0,0|2,0,0]=4 601 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [2,0,0,0,0,0|2,0,0]=4 602 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [2,0,0,0,0,0|2,0,0]=4 603 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [2,0,0,0,0,0|2,0,0]=4 604 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [2,0,0,0,0,0|2,0,0]=4 605 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [2,0,0,0,0,0|2,0,0]=4 606 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [2,0,0,0,0,0|2,0,0]=4 607 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [2,0,0,0,0,0|2,0,0]=4 608 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [2,0,0,0,0,0|2,0,0]=4 609 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [2,0,0,0,0,0|2,0,0]=4 610 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [2,0,0,0,0,0|2,0,0]=4 611 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [2,0,0,0,0,0|1,0,0]=3 612 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [2,0,0,0,0,0|1,0,0]=3 613 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [2,0,0,0,0,0|1,0,0]=3 614 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100015343762 [2,0,0,0,0,0|2,0,0]=4 615 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100015343762 [2,0,0,0,0,0|2,0,0]=4 616 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [2,0,0,0,0,0|1,0,0]=3 617 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [2,0,0,0,0,0|1,0,0]=3 618 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [2,0,0,0,0,0|1,0,0]=3 619 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100015343762 [2,0,0,0,0,0|2,0,0]=4 620 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100015343762 [2,0,0,0,0,0|2,0,0]=4 621 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100015343762 [2,0,0,0,0,0|2,0,0]=4 622 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100015343762 [2,0,0,0,0,0|2,0,0]=4 623 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100015343762 [2,0,0,0,0,0|2,0,0]=4 624 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100015343762 [2,0,0,0,0,0|2,0,0]=4 625 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [2,0,0,0,0,0|1,0,0]=3 626 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100015343762 [2,0,0,0,0,0|2,0,0]=4 627 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100015343762 [2,0,0,0,0,0|2,0,0]=4 628 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000070787 [2,0,0,0,0,0|2,0,0]=4 629 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [2,0,0,0,0,0|1,0,0]=3 630 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [2,0,0,0,0,0|1,0,0]=3 631 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [2,0,0,0,0,0|1,0,0]=3 632 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [2,0,0,0,0,0|1,0,0]=3 633 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100015343762 [2,0,0,0,0,0|2,0,0]=4 634 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100015343762 [2,0,0,0,0,0|2,0,0]=4 635 B12R1.127 CC(=O)Nc1cc(ccc1F)F 11a_100000210742_100015343762 [2,0,0,0,0,0|2,0,0]=4 636 B12R1.127 CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100015343762 [2,0,0,0,0,0|2,0,0]=4 637 B12R1.127 CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000070787 [2,0,0,0,0,0|2,0,0]=4 638 B12R1.127 CC(=O)Nc1cc(ccc1F)I 11a_100011464823_100015343762 [2,0,0,0,0,0|2,0,0]=4 639 B12R1.127 CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100015343762 [2,0,0,0,0,0|2,0,0]=4 640 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [2,0,0,0,0,0|1,0,0]=3 641 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [2,0,0,0,0,0|1,0,0]=3 642 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [2,0,0,0,0,0|1,0,0]=3 643 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [2,0,0,0,0,0|1,0,0]=3 644 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100015343762 [2,0,0,0,0,0|2,0,0]=4 645 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100015343762 [2,0,0,0,0,0|2,0,0]=4 646 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [2,0,0,0,0,0|1,0,0]=3 647 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [2,0,0,0,0,0|1,0,0]=3 648 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100015343762 [2,0,0,0,0,0|2,0,0]=4 649 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100015343762 [2,0,0,0,0,0|2,0,0]=4 650 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000070787 [2,0,0,0,0,0|2,0,0]=4 651 B12R1.127 CC(=O)Nc1cc(ccc1I)F 11a_100011218093_100015343762 [2,0,0,0,0,0|2,0,0]=4 652 B12R1.127 CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100015343762 [2,0,0,0,0,0|2,0,0]=4 653 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [2,0,0,0,0,0|1,0,0]=3 654 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [2,0,0,0,0,0|1,0,0]=3 655 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [2,0,0,0,0,0|0,0,0]=2 656 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [2,0,0,0,0,0|0,0,0]=2 657 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [2,0,0,0,0,0|0,0,0]=2 658 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [2,0,0,0,0,0|1,0,0]=3 659 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [2,0,0,0,0,0|1,0,0]=3 660 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [2,0,0,0,0,0|1,0,0]=3 661 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [2,0,0,0,0,0|1,0,0]=3 662 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [2,0,0,0,0,0|1,0,0]=3 663 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [2,0,0,0,0,0|1,0,0]=3 664 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [2,0,0,0,0,0|1,0,0]=3 665 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [2,0,0,0,0,0|2,0,0]=4 666 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [2,0,0,0,0,0|2,0,0]=4 667 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [2,0,0,0,0,0|2,0,0]=4 668 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [2,0,0,0,0,0|2,0,0]=4 669 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [2,0,0,0,0,0|2,0,0]=4 670 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [2,0,0,0,0,0|2,0,0]=4 671 B12R1.127 Cc1ccc(c(c1)NC(C)C)O 34a_100011215204_100000210206 [2,0,0,0,0,0|1,0,1]=4 672 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [2,0,0,0,0,0|2,0,0]=4 673 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [2,0,0,0,0,0|1,0,0]=3 674 B12R1.270 CC=Cc1cc(ccc1Br)OC 271570a_100016259895_100009992028 [2,0,0,0,0,0|2,0,0]=4 675 B12R1.270 CC=Cc1cc(ccc1C)CO 271570a_100016259895_100000050133 [2,0,0,0,0,0|2,0,0]=4 676 B12R1.270 CC=Cc1cc(ccc1C)OC 271570a_100016259895_100012349166 [2,0,0,0,0,0|2,0,0]=4 677 B12R1.270 CC=Cc1cc(ccc1Cl)OC 271570a_100016259895_100011356938 [2,0,0,0,0,0|2,0,0]=4 678 B12R1.270 CC=Cc1cc(ccc1F)CC 271570a_100016259895_200010244628 [2,0,0,0,0,0|2,0,0]=4 679 B12R1.270 CC=Cc1cc(ccc1F)CO 271570a_100016259895_100000246287 [2,0,0,0,0,0|2,0,0]=4 680 B12R1.270 CC=Cc1cc(ccc1F)OC 271570a_100016259895_100000699733 [2,0,0,0,0,0|2,0,0]=4 681 B12R1.270 CC=Cc1cc(ccc1N)CC 271570a_100016259895_100012339725 [2,0,0,0,0,0|2,0,0]=4 682 B12R1.270 CC=Cc1cc(ccc1N)OC 271570a_100016259895_100015195136 [2,0,0,0,0,0|2,0,0]=4 683 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [2,0,0,0,0,0|1,0,0]=3 684 B12R1.270 CC=Cc1cc(ccc1O)CO 271570a_100016259895_100011191544 [2,0,0,0,0,0|1,0,0]=3 685 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [2,0,0,0,0,0|1,0,0]=3 686 B12R1.270 CC=Cc1nc(ccc1O)CO 271570a_100016259895_200000118097 [2,0,0,0,0,0|2,0,0]=4 687 B12R1.270 CCNc1cc(ccc1Br)CO 34a_100012347568_100000210202 [2,0,0,0,0,0|1,0,1]=4 688 B12R1.270 CCNc1cc(ccc1Br)OC 34a_100000748603_100000210202 [2,0,0,0,0,0|1,0,1]=4 689 B12R1.270 CCNc1cc(ccc1C)CC 2230a_200012022522_100000210202 [2,0,0,0,0,0|1,0,1]=4 690 B12R1.270 CCNc1cc(ccc1C)CC 34a_200012022522_100000210202 [2,0,0,0,0,0|1,0,1]=4 691 B12R1.270 CCNc1cc(ccc1C)CC 7a_200012022522_100000210202 [2,0,0,0,0,0|1,0,1]=4 692 B12R1.270 CCNc1cc(ccc1C)CO 2230a_100000758420_100000210202 [2,0,0,0,0,0|1,0,1]=4 693 B12R1.270 CCNc1cc(ccc1C)CO 34a_100000758420_100000210202 [2,0,0,0,0,0|1,0,1]=4 694 B12R1.270 CCNc1cc(ccc1C)OC 2230a_100000760359_100000210202 [2,0,0,0,0,0|1,0,1]=4 695 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000211784_200000210301 [2,0,0,0,0,0|1,0,1]=4 696 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000760359_100000210202 [2,0,0,0,0,0|1,0,1]=4 697 B12R1.270 CCNc1cc(ccc1C)OC 7a_100000211784_200000210301 [2,0,0,0,0,0|1,0,1]=4 698 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 34a_100000211784_200025704644 [2,0,0,0,0,0|1,0,1]=4 699 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 7a_100000211784_200025704644 [2,0,0,0,0,0|1,0,1]=4 700 B12R1.270 CCNc1cc(ccc1Cl)CO 34a_106256033963_100000210202 [2,0,0,0,0,0|1,0,1]=4 701 B12R1.270 CCNc1cc(ccc1Cl)OC 34a_100000745576_100000210202 [2,0,0,0,0,0|1,0,1]=4 702 B12R1.270 CCNc1cc(ccc1F)CO 2230a_102125399562_100000210202 [2,0,0,0,0,0|1,0,1]=4 703 B12R1.270 CCNc1cc(ccc1F)CO 34a_102125399562_100000210202 [2,0,0,0,0,0|1,0,1]=4 704 B12R1.270 CCNc1cc(ccc1F)OC 34a_100000764331_100000210202 [2,0,0,0,0,0|1,0,1]=4 705 B12R1.270 CCNc1cc(ccc1I)OC 34a_100000748021_100000210202 [2,0,0,0,0,0|1,0,1]=4 706 B12R1.270 CCNc1cc(ccc1O)CC 34a_100000765835_100000210202 [2,0,0,0,0,0|0,0,1]=3 707 B12R1.270 CCNc1cc(ccc1O)CO 34a_100000123545_100000210202 [2,0,0,0,0,0|0,0,1]=3 708 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [2,0,0,0,0,0|0,0,1]=3 709 B12R1.270 CCSc1cc(ccc1O)CC 62a_100000210202_100012339963 [2,0,0,0,0,0|1,0,1]=4 710 B12R1.270 CCSc1cc(ccc1O)CC 62a_100012339963_100000210202 [2,0,0,0,0,0|1,0,1]=4 711 B12R1.270 CCSc1cc(ccc1O)CO 62a_100000210202_100011191544 [2,0,0,0,0,0|1,0,1]=4 712 B12R1.270 CCSc1cc(ccc1O)CO 62a_100011191544_100000210202 [2,0,0,0,0,0|1,0,1]=4 713 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [2,0,0,0,0,0|1,0,1]=4 714 B12R1.270 CCc1ccc(c(c1)NCF)O 34a_100000765835_100015361967 [2,0,0,0,0,0|1,0,1]=4 715 B12R1.270 COc1ccc(c(c1)NCF)O 34a_100000188146_100015361967 [2,0,0,0,0,0|1,0,1]=4 716 B12R1.270 OCc1ccc(c(c1)NCF)O 34a_100000123545_100015361967 [2,0,0,0,0,0|1,0,1]=4 717 B12R1.438 C#Cc1cccc(c1)NC(=O)C 11a_100000735509_100015343762 [2,0,0,0,0,0|0,0,2]=4 718 B12R1.438 C#Cc1cccc(c1)NC(=O)C 1626a_100000735509_100015343762 [2,0,0,0,0,0|0,0,2]=4 719 B12R1.438 C#Cc1cccc(c1)NC(=O)C 22a_100000735509_100000070787 [2,0,0,0,0,0|0,0,2]=4 720 B12R1.438 C#Cc1cccc(c1)NC(=O)C 527a_100000735509_100103153847 [2,0,0,0,0,0|0,0,2]=4 721 B12R1.438 C=Cc1cccc(c1)NC(=O)C 11a_100011827668_100015343762 [2,0,0,0,0,0|0,0,2]=4 722 B12R1.438 C=Cc1cccc(c1)NC(=O)C 1626a_100011827668_100015343762 [2,0,0,0,0,0|0,0,2]=4 723 B12R1.438 C=Cc1cccc(c1)NC(=O)C 22a_100011827668_100000070787 [2,0,0,0,0,0|0,0,2]=4 724 B12R1.438 C=Cc1cccc(c1)NC(=O)C 271570a_100011290941_100000153616 [2,0,0,0,0,0|0,0,2]=4 725 B12R1.438 C=Cc1cccc(c1)NC(=O)C 527a_100011827668_100103153847 [2,0,0,0,0,0|0,0,2]=4 726 B12R1.438 CC(=Cc1cccc(c1)CO)C 271570a_100102525489_100000687537 [2,0,0,0,0,0|2,0,0]=4 727 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [2,0,0,0,0,0|1,0,0]=3 728 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [2,0,0,0,0,0|1,1,0]=4 729 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [2,0,0,0,0,0|1,1,0]=4 730 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [2,0,0,0,0,0|2,0,0]=4 731 B12R1.438 CC(=O)Nc1cc(ccn1)S[13CH3] 62a_200025704644_100012362434 [2,0,0,0,0,0|1,1,0]=4 732 B12R1.438 CC(=O)Nc1cccc(c1)C#N 11a_100000210922_100015343762 [2,0,0,0,0,0|1,0,1]=4 733 B12R1.438 CC(=O)Nc1cccc(c1)C#N 1626a_100000210922_100015343762 [2,0,0,0,0,0|1,0,1]=4 734 B12R1.438 CC(=O)Nc1cccc(c1)C#N 22a_100000210922_100000070787 [2,0,0,0,0,0|1,0,1]=4 735 B12R1.438 CC(=O)Nc1cccc(c1)C#N 527a_100000210922_100103153847 [2,0,0,0,0,0|1,0,1]=4 736 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [2,0,0,0,0,0|1,0,0]=3 737 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [2,0,0,0,0,0|1,0,0]=3 738 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [2,0,0,0,0,0|1,0,0]=3 739 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [2,0,0,0,0,0|1,0,0]=3 740 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [2,0,0,0,0,0|0,0,0]=2 741 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [2,0,0,0,0,0|1,0,0]=3 742 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [2,0,0,0,0,0|0,0,0]=2 743 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [2,0,0,0,0,0|0,0,0]=2 744 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [2,0,0,0,0,0|0,1,0]=3 745 B12R1.438 CC(=O)Nc1cccc(n1)S[13CH3] 62a_200025704644_200011307899 [2,0,0,0,0,0|1,1,0]=4 746 B12R1.438 CC(=O)Nc1ccnc(c1)S[13CH3] 62a_200025704644_100000238608 [2,0,0,0,0,0|1,1,0]=4 747 B12R1.438 CC(=O)Nc1cncc(c1)S[13CH3] 62a_200025704644_100012351681 [2,0,0,0,0,0|1,1,0]=4 748 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [2,0,0,0,0,0|1,0,0]=3 749 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [2,0,0,0,0,0|1,1,0]=4 750 B12R1.438 CC(C)Nc1cccc(c1)CO 2230a_100000211919_100000210206 [2,0,0,0,0,0|1,0,1]=4 751 B12R1.438 CC(C)Nc1cccc(c1)CO 34a_100000211919_100000210206 [2,0,0,0,0,0|1,0,1]=4 752 B12R1.438 CCc1cccc(c1)C=C(C)C 271570a_100102525489_100000684523 [2,0,0,0,0,0|2,0,0]=4 753 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [2,0,0,0,0,0|0,0,0]=2 754 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [2,0,0,0,0,0|0,0,0]=2 755 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [2,0,0,0,0,0|0,0,0]=2 756 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [2,0,0,0,0,0|0,0,0]=2 757 B12R1.438 CCc1cccc(c1)NC(C)C 2230a_100000211250_100000210206 [2,0,0,0,0,0|1,0,1]=4 758 B12R1.438 CCc1cccc(c1)NC(C)C 34a_100000211250_100000210206 [2,0,0,0,0,0|1,0,1]=4 759 B12R1.438 CCc1cccc(c1)NC(C)C 7a_100000211250_100000210206 [2,0,0,0,0,0|1,0,1]=4 760 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [2,0,0,0,0,0|1,0,0]=3 761 B12R1.438 CNc1cccc(c1)NC(=O)N 34a_100000736001_200000210301 [2,0,0,0,0,0|2,0,0]=4 762 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [2,0,0,0,0,0|2,0,0]=4 763 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [2,0,0,0,0,0|2,0,0]=4 764 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [2,0,0,0,0,0|2,0,0]=4 765 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [2,0,0,0,0,0|2,0,0]=4 766 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [2,0,0,0,0,0|1,0,0]=3 767 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [2,0,0,0,0,0|1,0,0]=3 768 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [2,0,0,0,0,0|2,0,0]=4 769 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [2,0,0,0,0,0|2,0,0]=4 770 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [2,0,0,0,0,0|1,0,0]=3 771 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [2,0,0,0,0,0|0,0,0]=2 772 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [2,0,0,0,0,0|0,0,0]=2 773 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [2,0,0,0,0,0|0,0,0]=2 774 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [2,0,0,0,0,0|0,0,0]=2 775 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [2,0,0,0,0,0|0,0,0]=2 776 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [2,0,0,0,0,0|0,0,0]=2 777 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [2,0,0,0,0,0|1,0,0]=3 778 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [2,0,0,0,0,0|1,0,0]=3 779 B12R1.438 COc1cccc(c1)NC(=S)N 7a_100000023991_200000210301 [2,0,0,0,0,0|1,1,0]=4 780 B12R1.438 COc1cccc(c1)NC(C)C 34a_100000210024_100000210206 [2,0,0,0,0,0|1,0,1]=4 781 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [2,0,0,0,0,0|1,0,0]=3 782 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [2,0,0,0,0,0|2,0,0]=4 783 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [2,0,0,0,0,0|2,0,0]=4 784 B12R1.438 CSc1cc(ccn1)NC(=O)C 62a_200000210301_100000238608 [2,0,0,0,0,0|1,1,0]=4 785 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [2,0,0,0,0,0|1,1,0]=4 786 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [2,0,0,0,0,0|1,1,0]=4 787 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [2,0,0,0,0,0|1,1,0]=4 788 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [2,0,0,0,0,0|1,1,0]=4 789 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [2,0,0,0,0,0|0,1,0]=3 790 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [2,0,0,0,0,0|0,1,0]=3 791 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [2,0,0,0,0,0|0,1,0]=3 792 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [2,0,0,0,0,0|0,1,0]=3 793 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [2,0,0,0,0,0|0,1,0]=3 794 B12R1.438 CSc1cccc(c1)NC(=O)N 62a_200000210301_100000238923 [2,0,0,0,0,0|1,1,0]=4 795 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [2,0,0,0,0,0|1,1,0]=4 796 B12R1.438 CSc1cccc(n1)NC(=O)C 62a_200000210301_200011307899 [2,0,0,0,0,0|1,1,0]=4 797 B12R1.438 CSc1ccnc(c1)NC(=O)C 62a_200000210301_100012362434 [2,0,0,0,0,0|1,1,0]=4 798 B12R1.438 CSc1cncc(c1)NC(=O)C 62a_200000210301_100012351681 [2,0,0,0,0,0|1,1,0]=4 799 B12R1.438 [13CH3]Nc1cccc(c1)NC(=O)N 34a_100000736001_200025704644 [2,0,0,0,0,0|2,0,0]=4 800 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [2,0,0,0,0,0|2,0,0]=4 801 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [2,0,0,0,0,0|2,0,0]=4 802 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [2,0,0,0,0,0|1,0,0]=3 803 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [2,0,0,0,0,0|1,0,0]=3 804 B12R1.438 [13CH3]Oc1cccc(c1)NC(=S)N 7a_100000023991_200025704644 [2,0,0,0,0,0|1,1,0]=4 805 B12R1.438 [13CH3]Sc1cccc(c1)NC(=O)N 62a_200025704644_100000238923 [2,0,0,0,0,0|1,1,0]=4 806 B12R1.278 CC=Cc1cccc(c1)CCC 271570a_100016259895_100000694964 [2,0,0,0,0,0|2,0,0]=4 807 B12R1.278 CC=Cc1cccc(c1)CNC 271570a_100016259895_100000187585 [2,0,0,0,0,0|2,0,0]=4 808 B12R1.278 CC=Cc1cccc(c1)COC 271570a_100016259895_100011493687 [2,0,0,0,0,0|1,0,0]=3 809 B12R1.278 CCNc1cccc(c1)COC 2230a_100000737370_100000210202 [2,0,0,0,0,0|0,0,1]=3 810 B12R1.278 CCNc1cccc(c1)COC 34a_100000737370_100000210202 [2,0,0,0,0,0|0,0,1]=3 811 B12R1.278 CCOc1cccc(c1)COC 34a_200011232711_200000210301 [2,0,0,0,0,0|1,0,1]=4 812 B12R1.278 CCOc1cccc(c1)COC 7a_200011232711_200000210301 [2,0,0,0,0,0|1,0,1]=4 813 B12R1.278 CCOc1cccc(c1)CO[13CH3] 34a_200011232711_200025704644 [2,0,0,0,0,0|1,0,1]=4 814 B12R1.278 CCOc1cccc(c1)CO[13CH3] 7a_200011232711_200025704644 [2,0,0,0,0,0|1,0,1]=4 815 B12R1.278 CCSc1cccc(c1)COC 62a_100000210202_100011493687 [2,0,0,0,0,0|1,0,1]=4 816 B12R1.278 CCSc1cccc(c1)COC 62a_100011493687_100000210202 [2,0,0,0,0,0|1,0,1]=4 817 B12R1.278 COCc1cccc(c1)NCF 34a_100000737370_100015361967 [2,0,0,0,0,0|1,0,1]=4 818 B12R1.286 C=Cc1cc(ccc1C)COC 271570a_100011290941_200015395492 [2,0,0,0,0,0|1,0,1]=4 819 B12R1.286 C=Cc1cc(ccc1F)COC 271570a_100011290941_200011493689 [2,0,0,0,0,0|1,0,1]=4 820 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [2,0,0,0,0,0|1,0,1]=4 821 B12R1.286 CCOc1ccc(c(c1)C=O)O 271570a_203496583355_100012345016 [2,0,0,0,0,0|2,0,0]=4 822 B12R1.286 CCSc1ccc(c(c1)C=O)O 62a_100000210202_100000186750 [2,0,0,0,0,0|2,0,0]=4 823 B12R1.286 CNCc1ccc(c(c1)C=O)O 7a_106832991635_100000008128 [2,0,0,0,0,0|1,0,0]=3 824 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [2,0,0,0,0,0|2,0,0]=4 825 B12R1.286 CNc1cc(ccc1Br)COC 34a_200013033220_200000210301 [2,0,0,0,0,0|1,0,0]=3 826 B12R1.286 COCc1ccc(c(c1)N[13CH3])Br 34a_200013033220_200025704644 [2,0,0,0,0,0|1,0,0]=3 827 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [2,0,0,0,0,0|2,0,0]=4 828 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [2,0,0,0,0,0|2,0,0]=4 829 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [2,0,0,0,0,0|2,0,0]=4 830 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [2,0,0,0,0,0|2,0,0]=4 831 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [2,0,0,0,0,0|2,0,0]=4 832 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [2,0,0,0,0,0|2,0,0]=4 833 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [2,0,0,0,0,0|2,0,0]=4 834 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [2,0,0,0,0,0|2,0,0]=4 835 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [2,0,0,0,0,0|2,0,0]=4 836 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [2,0,0,0,0,0|2,0,0]=4 837 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [2,0,0,0,0,0|2,0,0]=4 838 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200000210301_200015395492 [2,0,0,0,0,0|2,0,0]=4 839 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200015395492_200000210301 [2,0,0,0,0,0|2,0,0]=4 840 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200000210301_200011493689 [2,0,0,0,0,0|2,0,0]=4 841 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200011493689_200000210301 [2,0,0,0,0,0|2,0,0]=4 842 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200015395492_200025704644 [2,0,0,0,0,0|2,0,0]=4 843 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200025704644_200015395492 [2,0,0,0,0,0|2,0,0]=4 844 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200011493689_200025704644 [2,0,0,0,0,0|2,0,0]=4 845 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200011493689 [2,0,0,0,0,0|2,0,0]=4 846 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [2,0,0,0,0,0|2,0,0]=4 847 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [2,0,0,0,0,0|2,0,0]=4 848 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [2,0,0,0,0,0|2,0,0]=4 849 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [2,0,0,0,0,0|2,0,0]=4 850 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [2,0,0,0,0,0|2,0,0]=4 851 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [2,0,0,0,0,0|2,0,0]=4 852 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [2,0,0,0,0,0|2,0,0]=4 853 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [2,0,0,0,0,0|2,0,0]=4 854 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [2,0,0,0,0,0|2,0,0]=4 855 B12R1.286 CSCc1ccc(c(c1)C=O)O 62a_200000210301_100000008128 [2,0,0,0,0,0|0,1,0]=3 856 B12R1.286 [13CH3]SCc1ccc(c(c1)C=O)O 62a_200025704644_100000008128 [2,0,0,0,0,0|0,1,0]=3 857 B14R1.578 COc1cc(c(c(c1)C=C(C)C)O)N 271570a_100102525489_200010008348 [1,1,0,0,0,0|2,0,0]=4 858 B14R1.578 COc1cc(c(c(c1)NC(=O)C)O)Br 11a_200010008348_100015343762 [1,1,0,0,0,0|0,0,0]=2 859 B14R1.578 COc1cc(c(c(c1)NC(=O)C)O)Br 22a_200010008348_100000070787 [1,1,0,0,0,0|0,0,0]=2 860 B14R1.578 COc1cc(c(c(c1)NC(=O)C)O)Br 527a_200010008348_100103153847 [1,1,0,0,0,0|0,0,0]=2 861 B14R1.578 COc1cc(c(c(c1)NC(C)C)O)Br 34a_200010008348_100000210206 [1,1,0,0,0,0|1,0,1]=4 862 B14R1.676 C=C(C)c1ccc(c(c1)CC(=O)C)O 271570a_100000694244_200010006938 [1,1,0,0,0,0|1,0,1]=4 863 B14R1.676 C=C(C)c1ccc(c(c1)NC(=O)C)C 271570a_100000694244_100011344836 [1,1,0,0,0,0|1,0,1]=4 864 B14R1.676 C=C(C)c1ccc(c(c1)NC(=O)C)F 271570a_100000694244_200011951791 [1,1,0,0,0,0|1,0,1]=4 865 B14R1.676 CC(=O)Nc1cc(ccc1C)C(=O)C 1458a_100000194935_200000210301 [1,1,0,0,0,0|1,0,1]=4 866 B14R1.676 CC(=O)Nc1cc(ccc1C)C(=O)[13CH3] 1458a_100000194935_200025704644 [1,1,0,0,0,0|1,0,1]=4 867 B14R1.676 CC(=O)Nc1cc(ccc1C)C(C)C 11a_100011216979_100015343762 [1,1,0,0,0,0|1,0,0]=3 868 B14R1.676 CC(=O)Nc1cc(ccc1C)C(C)C 1626a_100011216979_100015343762 [1,1,0,0,0,0|1,0,0]=3 869 B14R1.676 CC(=O)Nc1cc(ccc1C)C(C)C 22a_100011216979_100000070787 [1,1,0,0,0,0|1,0,0]=3 870 B14R1.676 CC(=O)Nc1cc(ccc1C)C(C)C 527a_100011216979_100103153847 [1,1,0,0,0,0|1,0,0]=3 871 B14R1.676 CC(=O)Nc1cc(ccc1C)N(C)C 11a_100015186894_100015343762 [1,1,0,0,0,0|2,0,0]=4 872 B14R1.676 CC(=O)Nc1cc(ccc1C)N(C)C 1626a_100015186894_100015343762 [1,1,0,0,0,0|2,0,0]=4 873 B14R1.676 CC(=O)Nc1cc(ccc1C)N(C)C 22a_100015186894_100000070787 [1,1,0,0,0,0|2,0,0]=4 874 B14R1.676 CC(=O)Nc1cc(ccc1C)N(C)C 527a_100015186894_100103153847 [1,1,0,0,0,0|2,0,0]=4 875 B14R1.676 CC(=O)Nc1cc(ccc1F)C(=O)C 1458a_100000744603_200000210301 [1,1,0,0,0,0|1,0,1]=4 876 B14R1.676 CC(=O)Nc1cc(ccc1F)C(=O)[13CH3] 1458a_100000744603_200025704644 [1,1,0,0,0,0|1,0,1]=4 877 B14R1.676 CC(=O)Nc1cc(ccc1F)C(F)F 11a_100010590353_100015343762 [1,1,0,0,0,0|2,0,0]=4 878 B14R1.676 CC(=O)Nc1cc(ccc1F)C(F)F 1626a_100010590353_100015343762 [1,1,0,0,0,0|2,0,0]=4 879 B14R1.676 CC(=O)Nc1cc(ccc1F)C(F)F 22a_100010590353_100000070787 [1,1,0,0,0,0|2,0,0]=4 880 B14R1.676 CC(=O)Nc1cc(ccc1O)C(C)C 22a_200000187366_100000070787 [1,1,0,0,0,0|0,0,0]=2 881 B14R1.676 CC(=O)Nc1cc(ccc1O)C(C)C 527a_200000187366_100103153847 [1,1,0,0,0,0|0,0,0]=2 882 B14R1.676 CC(=O)Nc1cc(ccc1O)[N+](=O)[O-] 22a_100000181223_100000070787 [1,1,0,0,0,0|1,0,1]=4 883 B14R1.676 CC(=O)Nc1cc(ccc1O)[N+](=O)[O-] 527a_100000181223_100103153847 [1,1,0,0,0,0|1,0,1]=4 884 B14R1.676 CC(C)Nc1cc(ccc1O)C(C)C 34a_200000187366_100000210206 [1,1,0,0,0,0|1,0,1]=4 885 B14R1.676 CC(C)Nc1cc(ccc1O)C(C)C 7a_200000187366_100000210206 [1,1,0,0,0,0|1,0,1]=4 886 B14R1.881 CC(=O)Nc1cc(c(cc1Cl)Cl)O[13CH3] 34a_200000039401_200025704644 [1,1,0,0,0,0|1,0,0]=3 887 B14R1.881 CC(=O)Nc1cc(c(cc1Cl)Cl)O[13CH3] 7a_200000039401_200025704644 [1,1,0,0,0,0|1,0,0]=3 888 B14R1.881 CC(=O)Nc1cc(c(cc1F)F)S[13CH3] 62a_200013902858_200025704644 [1,1,0,0,0,0|1,1,0]=4 889 B14R1.881 CC(=O)Nc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_200013902858 [1,1,0,0,0,0|1,1,0]=4 890 B14R1.881 COc1cc(c(cc1Br)Br)NC(=O)C 11a_100000718616_100015343762 [1,1,0,0,0,0|1,0,0]=3 891 B14R1.881 COc1cc(c(cc1Br)Br)NC(=O)C 1626a_100000718616_100015343762 [1,1,0,0,0,0|1,0,0]=3 892 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 11a_100010232211_100015343762 [1,1,0,0,0,0|1,0,0]=3 893 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 1626a_100010232211_100015343762 [1,1,0,0,0,0|1,0,0]=3 894 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 22a_100010232211_100000070787 [1,1,0,0,0,0|1,0,0]=3 895 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 527a_100010232211_100103153847 [1,1,0,0,0,0|1,0,0]=3 896 B14R1.881 COc1cc(c(cc1Br)Cl)NC(=O)C 11a_100012361290_100015343762 [1,1,0,0,0,0|1,0,0]=3 897 B14R1.881 COc1cc(c(cc1Br)Cl)NC(=O)C 1626a_100012361290_100015343762 [1,1,0,0,0,0|1,0,0]=3 898 B14R1.881 COc1cc(c(cc1C)Br)NC(=O)C 11a_100010244135_100015343762 [1,1,0,0,0,0|1,0,0]=3 899 B14R1.881 COc1cc(c(cc1C)Br)NC(=O)C 1626a_100010244135_100015343762 [1,1,0,0,0,0|1,0,0]=3 900 B14R1.881 COc1cc(c(cc1Cl)Br)NC(=O)C 11a_100013022580_100015343762 [1,1,0,0,0,0|1,0,0]=3 901 B14R1.881 COc1cc(c(cc1Cl)Br)NC(=O)C 1626a_100013022580_100015343762 [1,1,0,0,0,0|1,0,0]=3 902 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 11a_100009858536_100015343762 [1,1,0,0,0,0|1,0,0]=3 903 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 1626a_100009858536_100015343762 [1,1,0,0,0,0|1,0,0]=3 904 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 22a_100009858536_100000070787 [1,1,0,0,0,0|1,0,0]=3 905 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 527a_100009858536_100103153847 [1,1,0,0,0,0|1,0,0]=3 906 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 11a_100011830341_100015343762 [1,1,0,0,0,0|1,0,0]=3 907 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 1626a_100011830341_100015343762 [1,1,0,0,0,0|1,0,0]=3 908 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 22a_100011830341_100000070787 [1,1,0,0,0,0|1,0,0]=3 909 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 34a_200000039401_200000210301 [1,1,0,0,0,0|1,0,0]=3 910 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 7a_200000039401_200000210301 [1,1,0,0,0,0|1,0,0]=3 911 B14R1.881 COc1cc(c(cc1Cl)F)NC(=O)C 11a_100009872666_100015343762 [1,1,0,0,0,0|1,0,0]=3 912 B14R1.881 COc1cc(c(cc1Cl)F)NC(=O)C 1626a_100009872666_100015343762 [1,1,0,0,0,0|1,0,0]=3 913 B14R1.881 COc1cc(c(cc1Cl)F)NC(=O)C 22a_100009872666_100000070787 [1,1,0,0,0,0|1,0,0]=3 914 B14R1.881 COc1cc(c(cc1F)Br)NC(=O)C 11a_100010208193_100015343762 [1,1,0,0,0,0|1,0,0]=3 915 B14R1.881 COc1cc(c(cc1F)Br)NC(=O)C 1626a_100010208193_100015343762 [1,1,0,0,0,0|1,0,0]=3 916 B14R1.881 COc1cc(c(cc1F)Cl)NC(=O)C 11a_100009958774_100015343762 [1,1,0,0,0,0|1,0,0]=3 917 B14R1.881 COc1cc(c(cc1F)Cl)NC(=O)C 1626a_100009958774_100015343762 [1,1,0,0,0,0|1,0,0]=3 918 B14R1.881 COc1cc(c(cc1F)Cl)NC(=O)C 22a_100009958774_100000070787 [1,1,0,0,0,0|1,0,0]=3 919 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)C 1458a_100009814189_200000210301 [1,1,0,0,0,0|2,0,0]=4 920 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)[13CH3] 1458a_100009814189_200025704644 [1,1,0,0,0,0|2,0,0]=4 921 B14R1.881 CSc1cc(c(cc1F)F)NC(=O)C 62a_200000210301_200013902858 [1,1,0,0,0,0|1,1,0]=4 922 B14R1.881 CSc1cc(c(cc1F)F)NC(=O)C 62a_200013902858_200000210301 [1,1,0,0,0,0|1,1,0]=4 923 B14R1.2318 CC(=O)Nc1c(ccc(c1F)N[13CH3])F 34a_100009824841_200025704644 [1,1,0,0,0,0|2,0,0]=4 924 B14R1.2318 CNc1ccc(c(c1F)NC(=O)C)F 34a_100009824841_200000210301 [1,1,0,0,0,0|2,0,0]=4 925 B14R1.2318 COc1ccc(c(c1C)NC(=O)C)C 11a_100000089760_100015343762 [1,1,0,0,0,0|1,0,0]=3 926 B14R1.2318 COc1ccc(c(c1C)NC(=O)C)C 1626a_100000089760_100015343762 [1,1,0,0,0,0|1,0,0]=3 927 B14R1.2318 COc1ccc(c(c1C)NC(=O)C)C 22a_100000089760_100000070787 [1,1,0,0,0,0|1,0,0]=3 928 B14R1.2318 COc1ccc(c(c1Cl)NC(=O)C)Cl 11a_100009956855_100015343762 [1,1,0,0,0,0|1,0,0]=3 929 B14R1.2318 COc1ccc(c(c1Cl)NC(=O)C)Cl 1626a_100009956855_100015343762 [1,1,0,0,0,0|1,0,0]=3 930 B14R1.2318 COc1ccc(c(c1Cl)NC(=O)C)F 11a_100000061512_100015343762 [1,1,0,0,0,0|1,0,0]=3 931 B14R1.2318 COc1ccc(c(c1Cl)NC(=O)C)F 1626a_100000061512_100015343762 [1,1,0,0,0,0|1,0,0]=3 932 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)Br 1458a_100000070787_200011099544 [1,1,0,0,0,0|2,0,0]=4 933 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)Cl 1458a_100000061514_200000210301 [1,1,0,0,0,0|2,0,0]=4 934 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)Cl 1458a_100000070787_100009814550 [1,1,0,0,0,0|2,0,0]=4 935 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)F 1458a_100000062057_200000210301 [1,1,0,0,0,0|2,0,0]=4 936 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)F 1458a_100000070787_100009814547 [1,1,0,0,0,0|2,0,0]=4 937 B14R1.2318 COc1ccc(c(c1F)CC(=O)[13CH3])Cl 1458a_100000061514_200025704644 [1,1,0,0,0,0|2,0,0]=4 938 B14R1.2318 COc1ccc(c(c1F)CC(=O)[13CH3])F 1458a_100000062057_200025704644 [1,1,0,0,0,0|2,0,0]=4 939 B14R1.2318 COc1ccc(c(c1F)NC(=O)C)Cl 11a_100000061519_100015343762 [1,1,0,0,0,0|1,0,0]=3 940 B14R1.2318 COc1ccc(c(c1F)NC(=O)C)Cl 1626a_100000061519_100015343762 [1,1,0,0,0,0|1,0,0]=3 941 B14R1.2318 COc1ccc(c(c1F)NC(=O)C)F 11a_200000062051_100015343762 [1,1,0,0,0,0|1,0,0]=3 942 B14R1.2318 COc1ccc(c(c1F)NC(=O)C)F 1626a_200000062051_100015343762 [1,1,0,0,0,0|1,0,0]=3 943 B14R1.2336 CC(C)(C)Nc1cc(ccc1O)CO 34a_100000123545_100000210625 [1,1,0,0,0,0|1,0,1]=4 944 B14R1.2336 CCc1ccc(c(c1)NC(C)(C)C)O 34a_100000765835_100000210625 [1,1,0,0,0,0|1,0,1]=4 945 B14R1.2336 CCc1ccc(c(c1)NS(=O)(=O)C)C 40a_200012022522_100000738038 [1,1,0,0,0,0|2,0,0]=4 946 B14R1.2336 COc1ccc(c(c1)NC(C)(C)C)O 34a_100000188146_100000210625 [1,1,0,0,0,0|1,0,1]=4 947 B14R1.2336 COc1ccc(c(c1)NS(=O)(=O)C)C 40a_100000760359_100000738038 [1,1,0,0,0,0|2,0,0]=4 948 B14R1.2336 COc1ccc(c(c1)NS(=O)(=O)C)Cl 40a_100000745576_100000738038 [1,1,0,0,0,0|2,0,0]=4 949 B14R1.2336 COc1ccc(c(c1)NS(=O)(=O)C)F 40a_100000764331_100000738038 [1,1,0,0,0,0|2,0,0]=4 950 B14R1.2336 COc1ccc(c(c1)NS(=O)(=O)C)I 40a_100000748021_100000738038 [1,1,0,0,0,0|2,0,0]=4 951 B14R1.2336 CS(=O)(=O)Nc1cc(ccc1Br)CO 40a_100012347568_100000738038 [1,1,0,0,0,0|2,0,0]=4 952 B14R1.2336 CS(=O)(=O)Nc1cc(ccc1Cl)CO 40a_106256033963_100000738038 [1,1,0,0,0,0|2,0,0]=4 953 B14R1.2336 CS(=O)(=O)Nc1cc(ccc1F)CO 40a_102125399562_100000738038 [1,1,0,0,0,0|2,0,0]=4 954 B14R1.2336 Cc1ccc(cc1NS(=O)(=O)C)CO 40a_100000758420_100000738038 [1,1,0,0,0,0|2,0,0]=4 955 B14R1.2340 CC(=C(C)c1cc(ccc1O)CO)C 271570a_200000049429_100011191544 [1,1,0,0,0,0|2,0,0]=4 956 B14R1.2340 CCc1ccc(c(c1)C(=C(C)C)C)O 271570a_200000049429_100012339963 [1,1,0,0,0,0|2,0,0]=4 957 B14R1.2340 COc1ccc(c(c1)C(=C(C)C)C)O 271570a_200000049429_100000685887 [1,1,0,0,0,0|2,0,0]=4 958 B14R1.3723 C=Cc1ccc(c(c1)NC(=O)C)OC 271570a_100011290941_200011407902 [1,1,0,0,0,0|0,0,2]=4 959 B14R1.3723 C=Cc1ccc(cc1NC(=O)C)OC 271570a_100011290941_100011665069 [1,1,0,0,0,0|1,0,0]=3 960 B14R1.3723 CC(=Cc1cc(ccc1CO)CO)C 271570a_100102525489_100010881536 [1,1,0,0,0,0|2,0,0]=4 961 B14R1.3723 CCc1ccc(c(c1)C=C(C)C)OC 271570a_100102525489_100010062400 [1,1,0,0,0,0|2,0,0]=4 962 B14R1.3723 CCc1ccc(c(c1)NC(=O)C)OC 11a_100012035449_100015343762 [1,1,0,0,0,0|0,0,0]=2 963 B14R1.3723 CCc1ccc(c(c1)NC(=O)C)OC 1626a_100012035449_100015343762 [1,1,0,0,0,0|0,0,0]=2 964 B14R1.3723 CCc1ccc(c(c1)NC(=O)C)OC 22a_100012035449_100000070787 [1,1,0,0,0,0|0,0,0]=2 965 B14R1.3723 CCc1ccc(c(c1)NC(C)C)OC 2230a_100012035449_100000210206 [1,1,0,0,0,0|1,0,1]=4 966 B14R1.3723 CCc1ccc(c(c1)NC(C)C)OC 34a_100012035449_100000210206 [1,1,0,0,0,0|1,0,1]=4 967 B14R1.3723 CNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_200000210301 [1,1,0,0,0,0|1,0,0]=3 968 B14R1.3723 CNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_200000210301 [1,1,0,0,0,0|1,0,0]=3 969 B14R1.3723 COc1ccc(c(c1)C=C(C)C)CO 271570a_100102525489_100011982768 [1,1,0,0,0,0|2,0,0]=4 970 B14R1.3723 COc1ccc(c(c1)C=C(C)C)OC 271570a_100102525489_100011215452 [1,1,0,0,0,0|2,0,0]=4 971 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000070787_100000205131 [1,1,0,0,0,0|1,0,0]=3 972 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000212042_200000210301 [1,1,0,0,0,0|1,0,0]=3 973 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 34a_200000075431_200000210301 [1,1,0,0,0,0|1,0,0]=3 974 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 7a_200000075431_200000210301 [1,1,0,0,0,0|1,0,0]=3 975 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 34a_200000075431_200025704644 [1,1,0,0,0,0|1,0,0]=3 976 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 7a_200000075431_200025704644 [1,1,0,0,0,0|1,0,0]=3 977 B14R1.3723 COc1ccc(c(c1)CC(=O)[13CH3])OC 1458a_100000212042_200025704644 [1,1,0,0,0,0|1,0,0]=3 978 B14R1.3723 COc1ccc(c(c1)NC(=O)C)C#N 11a_100000687564_100015343762 [1,1,0,0,0,0|1,0,0]=3 979 B14R1.3723 COc1ccc(c(c1)NC(=O)C)C#N 1626a_100000687564_100015343762 [1,1,0,0,0,0|1,0,0]=3 980 B14R1.3723 COc1ccc(c(c1)NC(=O)C)CO 22a_100011998734_100000070787 [1,1,0,0,0,0|0,0,0]=2 981 B14R1.3723 COc1ccc(c(c1)NC(=O)C)CO 527a_100011998734_100103153847 [1,1,0,0,0,0|0,0,0]=2 982 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 11a_100000184736_100015343762 [1,1,0,0,0,0|0,0,0]=2 983 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 1626a_100000184736_100015343762 [1,1,0,0,0,0|0,0,0]=2 984 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 22a_100000184736_100000070787 [1,1,0,0,0,0|0,0,0]=2 985 B14R1.3723 COc1ccc(c(c1)NC(=O)C)SC 62a_200000210301_100011665069 [1,1,0,0,0,0|0,1,0]=3 986 B14R1.3723 COc1ccc(c(c1)NC(=O)C)S[13CH3] 62a_200025704644_100011665069 [1,1,0,0,0,0|0,1,0]=3 987 B14R1.3723 COc1ccc(c(c1)NC(C)C)CO 34a_100011998734_100000210206 [1,1,0,0,0,0|1,0,1]=4 988 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 2230a_100000184736_100000210206 [1,1,0,0,0,0|1,0,1]=4 989 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 34a_100000184736_100000210206 [1,1,0,0,0,0|1,0,1]=4 990 B14R1.3723 COc1ccc(cc1C=C(C)C)CO 271570a_100102525489_100000246451 [1,1,0,0,0,0|2,0,0]=4 991 B14R1.3723 COc1ccc(cc1CC(=O)C)SC 62a_200011493461_200000210301 [1,1,0,0,0,0|1,1,0]=4 992 B14R1.3723 COc1ccc(cc1CC(=O)C)S[13CH3] 62a_200011493461_200025704644 [1,1,0,0,0,0|1,1,0]=4 993 B14R1.3723 COc1ccc(cc1NC(=O)C)C#N 11a_100000747721_100015343762 [1,1,0,0,0,0|1,0,1]=4 994 B14R1.3723 COc1ccc(cc1NC(=O)C)C#N 1626a_100000747721_100015343762 [1,1,0,0,0,0|1,0,1]=4 995 B14R1.3723 COc1ccc(cc1NC(=O)C)C#N 22a_100000747721_100000070787 [1,1,0,0,0,0|1,0,1]=4 996 B14R1.3723 COc1ccc(cc1NC(=O)C)CO 22a_100011269841_100000070787 [1,1,0,0,0,0|0,0,0]=2 997 B14R1.3723 COc1ccc(cc1NC(=O)C)N[13CH3] 34a_100000736378_200025704644 [1,1,0,0,0,0|1,0,0]=3 998 B14R1.3723 COc1ccc(cc1NC(=O)C)N[13CH3] 7a_100000736378_200025704644 [1,1,0,0,0,0|1,0,0]=3 999 B14R1.3723 COc1ccc(cc1NC(=O)C)SC 62a_200000210301_200011407902 [1,1,0,0,0,0|0,1,0]=3 1000 B14R1.3723 COc1ccc(cc1NC(=O)C)S[13CH3] 62a_200025704644_200011407902 [1,1,0,0,0,0|0,1,0]=3 1001 B14R1.3723 COc1ccc(cc1NC(C)C)CO 2230a_100011269841_100000210206 [1,1,0,0,0,0|1,0,1]=4 1002 B14R1.3723 COc1ccc(cc1NC(C)C)CO 34a_100011269841_100000210206 [1,1,0,0,0,0|1,0,1]=4 1003 B14R1.3724 C#CC(C)Nc1cc(ccc1O)CC 34a_100000765835_200000035995 [1,1,0,0,0,0|1,0,1]=4 1004 B14R1.3724 C#CC(C)Nc1cc(ccc1O)CO 34a_100000123545_200000035995 [1,1,0,0,0,0|1,0,1]=4 1005 B14R1.3724 C#CC(C)Nc1cc(ccc1O)OC 34a_100000188146_200000035995 [1,1,0,0,0,0|1,0,1]=4 1006 B14R1.3724 C=CC(=O)Nc1cc(ccc1Br)OC 1626a_100000748603_100000185746 [1,1,0,0,0,0|1,0,1]=4 1007 B14R1.3724 C=CC(=O)Nc1cc(ccc1Br)OC 22a_100000748603_100000185746 [1,1,0,0,0,0|1,0,1]=4 1008 B14R1.3724 C=CC(=O)Nc1cc(ccc1C)CC 1626a_200012022522_100000185746 [1,1,0,0,0,0|1,0,1]=4 1009 B14R1.3724 C=CC(=O)Nc1cc(ccc1C)CC 22a_200012022522_100000185746 [1,1,0,0,0,0|1,0,1]=4 1010 B14R1.3724 C=CC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000185746 [1,1,0,0,0,0|1,0,1]=4 1011 B14R1.3724 C=CC(=O)Nc1cc(ccc1C)OC 1626a_100000760359_100000185746 [1,1,0,0,0,0|1,0,1]=4 1012 B14R1.3724 C=CC(=O)Nc1cc(ccc1C)OC 22a_100000760359_100000185746 [1,1,0,0,0,0|1,0,1]=4 1013 B14R1.3724 C=CC(=O)Nc1cc(ccc1Cl)OC 1626a_100000745576_100000185746 [1,1,0,0,0,0|1,0,1]=4 1014 B14R1.3724 C=CC(=O)Nc1cc(ccc1Cl)OC 22a_100000745576_100000185746 [1,1,0,0,0,0|1,0,1]=4 1015 B14R1.3724 C=CC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000185746 [1,1,0,0,0,0|1,0,1]=4 1016 B14R1.3724 C=CC(=O)Nc1cc(ccc1F)OC 1626a_100000764331_100000185746 [1,1,0,0,0,0|1,0,1]=4 1017 B14R1.3724 C=CC(=O)Nc1cc(ccc1F)OC 22a_100000764331_100000185746 [1,1,0,0,0,0|1,0,1]=4 1018 B14R1.3724 C=CC(=O)Nc1cc(ccc1I)OC 1626a_100000748021_100000185746 [1,1,0,0,0,0|1,0,1]=4 1019 B14R1.3724 C=CC(=O)Nc1cc(ccc1I)OC 22a_100000748021_100000185746 [1,1,0,0,0,0|1,0,1]=4 1020 B14R1.3724 C=CC(=O)Nc1cc(ccc1O)CC 22a_100000765835_100000185746 [1,1,0,0,0,0|0,0,1]=3 1021 B14R1.3724 C=CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000185746 [1,1,0,0,0,0|0,0,1]=3 1022 B14R1.3724 C=CC(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000185746 [1,1,0,0,0,0|0,0,1]=3 1023 B14R1.3724 CC(CO)Nc1cc(ccc1O)CO 34a_100000123545_100012180447 [1,1,0,0,0,0|0,0,2]=4 1024 B14R1.3724 CCC(=O)Cc1cc(ccc1Br)OC 1458a_100000210414_100000761528 [1,1,0,0,0,0|2,0,0]=4 1025 B14R1.3724 CCC(=O)Cc1cc(ccc1Br)OC 1458a_100000690513_100000210202 [1,1,0,0,0,0|2,0,0]=4 1026 B14R1.3724 CCC(=O)Cc1cc(ccc1Cl)OC 1458a_100000210414_100000718613 [1,1,0,0,0,0|2,0,0]=4 1027 B14R1.3724 CCC(=O)Cc1cc(ccc1Cl)OC 1458a_100010217559_100000210202 [1,1,0,0,0,0|2,0,0]=4 1028 B14R1.3724 CCC(=O)Cc1cc(ccc1F)OC 1458a_100000210414_100010243555 [1,1,0,0,0,0|2,0,0]=4 1029 B14R1.3724 CCC(=O)Cc1cc(ccc1F)OC 1458a_100009868546_100000210202 [1,1,0,0,0,0|2,0,0]=4 1030 B14R1.3724 CCC(=O)Nc1cc(ccc1Br)OC 11a_100000748603_100000210414 [1,1,0,0,0,0|1,0,0]=3 1031 B14R1.3724 CCC(=O)Nc1cc(ccc1Br)OC 1626a_100000748603_100000210414 [1,1,0,0,0,0|1,0,0]=3 1032 B14R1.3724 CCC(=O)Nc1cc(ccc1Br)OC 22a_100000748603_100000210414 [1,1,0,0,0,0|1,0,0]=3 1033 B14R1.3724 CCC(=O)Nc1cc(ccc1C)CC 11a_200012022522_100000210414 [1,1,0,0,0,0|1,0,0]=3 1034 B14R1.3724 CCC(=O)Nc1cc(ccc1C)CC 1626a_200012022522_100000210414 [1,1,0,0,0,0|1,0,0]=3 1035 B14R1.3724 CCC(=O)Nc1cc(ccc1C)CC 22a_200012022522_100000210414 [1,1,0,0,0,0|1,0,0]=3 1036 B14R1.3724 CCC(=O)Nc1cc(ccc1C)CC 527a_200012022522_100000210414 [1,1,0,0,0,0|1,0,0]=3 1037 B14R1.3724 CCC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000210414 [1,1,0,0,0,0|1,0,0]=3 1038 B14R1.3724 CCC(=O)Nc1cc(ccc1C)NC 34a_200011193571_200000210301 [1,1,0,0,0,0|2,0,0]=4 1039 B14R1.3724 CCC(=O)Nc1cc(ccc1C)NC 7a_200011193571_200000210301 [1,1,0,0,0,0|2,0,0]=4 1040 B14R1.3724 CCC(=O)Nc1cc(ccc1C)N[13CH3] 34a_200011193571_200025704644 [1,1,0,0,0,0|2,0,0]=4 1041 B14R1.3724 CCC(=O)Nc1cc(ccc1C)N[13CH3] 7a_200011193571_200025704644 [1,1,0,0,0,0|2,0,0]=4 1042 B14R1.3724 CCC(=O)Nc1cc(ccc1C)OC 11a_100000760359_100000210414 [1,1,0,0,0,0|1,0,0]=3 1043 B14R1.3724 CCC(=O)Nc1cc(ccc1C)OC 1626a_100000760359_100000210414 [1,1,0,0,0,0|1,0,0]=3 1044 B14R1.3724 CCC(=O)Nc1cc(ccc1C)OC 22a_100000760359_100000210414 [1,1,0,0,0,0|1,0,0]=3 1045 B14R1.3724 CCC(=O)Nc1cc(ccc1C)OC 527a_100000760359_100000210414 [1,1,0,0,0,0|1,0,0]=3 1046 B14R1.3724 CCC(=O)Nc1cc(ccc1Cl)OC 11a_100000745576_100000210414 [1,1,0,0,0,0|1,0,0]=3 1047 B14R1.3724 CCC(=O)Nc1cc(ccc1Cl)OC 1626a_100000745576_100000210414 [1,1,0,0,0,0|1,0,0]=3 1048 B14R1.3724 CCC(=O)Nc1cc(ccc1Cl)OC 22a_100000745576_100000210414 [1,1,0,0,0,0|1,0,0]=3 1049 B14R1.3724 CCC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000210414 [1,1,0,0,0,0|1,0,0]=3 1050 B14R1.3724 CCC(=O)Nc1cc(ccc1F)OC 11a_100000764331_100000210414 [1,1,0,0,0,0|1,0,0]=3 1051 B14R1.3724 CCC(=O)Nc1cc(ccc1F)OC 1626a_100000764331_100000210414 [1,1,0,0,0,0|1,0,0]=3 1052 B14R1.3724 CCC(=O)Nc1cc(ccc1F)OC 22a_100000764331_100000210414 [1,1,0,0,0,0|1,0,0]=3 1053 B14R1.3724 CCC(=O)Nc1cc(ccc1F)OC 527a_100000764331_100000210414 [1,1,0,0,0,0|1,0,0]=3 1054 B14R1.3724 CCC(=O)Nc1cc(ccc1I)OC 11a_100000748021_100000210414 [1,1,0,0,0,0|1,0,0]=3 1055 B14R1.3724 CCC(=O)Nc1cc(ccc1I)OC 1626a_100000748021_100000210414 [1,1,0,0,0,0|1,0,0]=3 1056 B14R1.3724 CCC(=O)Nc1cc(ccc1I)OC 22a_100000748021_100000210414 [1,1,0,0,0,0|1,0,0]=3 1057 B14R1.3724 CCC(=O)Nc1cc(ccc1O)C#N 22a_100000766272_100000210414 [1,1,0,0,0,0|1,0,1]=4 1058 B14R1.3724 CCC(=O)Nc1cc(ccc1O)C#N 527a_100000766272_100000210414 [1,1,0,0,0,0|1,0,1]=4 1059 B14R1.3724 CCC(=O)Nc1cc(ccc1O)CC 22a_100000765835_100000210414 [1,1,0,0,0,0|0,0,0]=2 1060 B14R1.3724 CCC(=O)Nc1cc(ccc1O)CC 527a_100000765835_100000210414 [1,1,0,0,0,0|0,0,0]=2 1061 B14R1.3724 CCC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000210414 [1,1,0,0,0,0|0,0,0]=2 1062 B14R1.3724 CCC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100000210414 [1,1,0,0,0,0|0,0,0]=2 1063 B14R1.3724 CCC(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000210414 [1,1,0,0,0,0|0,0,0]=2 1064 B14R1.3724 CCC(=O)Nc1cc(ccc1O)OC 527a_100000188146_100000210414 [1,1,0,0,0,0|0,0,0]=2 1065 B14R1.3724 CCC(C)Nc1cc(ccc1O)CO 34a_100000123545_100011215416 [1,1,0,0,0,0|1,0,1]=4 1066 B14R1.3724 CCC(C)Nc1cc(ccc1O)OC 34a_100000188146_100011215416 [1,1,0,0,0,0|1,0,1]=4 1067 B14R1.3724 CCc1ccc(c(c1)NC(=O)CO)C 22a_200012022522_100000210174 [1,1,0,0,0,0|1,0,0]=3 1068 B14R1.3724 CCc1ccc(c(c1)NC(=O)CO)C 527a_200012022522_100000210174 [1,1,0,0,0,0|1,0,0]=3 1069 B14R1.3724 CCc1ccc(c(c1)NC(=O)CO)O 22a_100000765835_100000210174 [1,1,0,0,0,0|0,0,0]=2 1070 B14R1.3724 CCc1ccc(c(c1)NC(=O)CO)O 527a_100000765835_100000210174 [1,1,0,0,0,0|0,0,0]=2 1071 B14R1.3724 CCc1ccc(c(c1)NC(=O)NC)C 2430a_200012022522_100102657272 [1,1,0,0,0,0|1,0,0]=3 1072 B14R1.3724 CCc1ccc(c(c1)NC(=O)NC)O 2430a_100000765835_100102657272 [1,1,0,0,0,0|0,0,0]=2 1073 B14R1.3724 CCc1ccc(c(c1)NC(C)CC)O 34a_100000765835_100011215416 [1,1,0,0,0,0|1,0,1]=4 1074 B14R1.3724 CCc1ccc(c(c1)NC(C)CO)O 34a_100000765835_100012180447 [1,1,0,0,0,0|0,0,2]=4 1075 B14R1.3724 CNC(=O)Cc1cc(ccc1Br)OC 11a_106832991635_100000690513 [1,1,0,0,0,0|2,0,0]=4 1076 B14R1.3724 CNC(=O)Cc1cc(ccc1Br)OC 240690a_100102657272_100000690513 [1,1,0,0,0,0|2,0,0]=4 1077 B14R1.3724 CNC(=O)Cc1cc(ccc1Br)OC 527a_100102657272_100000690513 [1,1,0,0,0,0|2,0,0]=4 1078 B14R1.3724 CNC(=O)Cc1cc(ccc1Cl)OC 11a_106832991635_100010217559 [1,1,0,0,0,0|2,0,0]=4 1079 B14R1.3724 CNC(=O)Cc1cc(ccc1Cl)OC 1626a_100102657272_100010217559 [1,1,0,0,0,0|2,0,0]=4 1080 B14R1.3724 CNC(=O)Cc1cc(ccc1Cl)OC 240690a_100102657272_100010217559 [1,1,0,0,0,0|2,0,0]=4 1081 B14R1.3724 CNC(=O)Cc1cc(ccc1Cl)OC 527a_100102657272_100010217559 [1,1,0,0,0,0|2,0,0]=4 1082 B14R1.3724 CNC(=O)Cc1cc(ccc1F)OC 11a_106832991635_100009868546 [1,1,0,0,0,0|2,0,0]=4 1083 B14R1.3724 CNC(=O)Cc1cc(ccc1F)OC 1626a_100102657272_100009868546 [1,1,0,0,0,0|2,0,0]=4 1084 B14R1.3724 CNC(=O)Cc1cc(ccc1F)OC 240690a_100102657272_100009868546 [1,1,0,0,0,0|2,0,0]=4 1085 B14R1.3724 CNC(=O)Cc1cc(ccc1F)OC 527a_100102657272_100009868546 [1,1,0,0,0,0|2,0,0]=4 1086 B14R1.3724 CNC(=O)Nc1cc(ccc1Br)OC 2430a_100000748603_100102657272 [1,1,0,0,0,0|1,0,0]=3 1087 B14R1.3724 CNC(=O)Nc1cc(ccc1C)OC 2430a_100000760359_100102657272 [1,1,0,0,0,0|1,0,0]=3 1088 B14R1.3724 CNC(=O)Nc1cc(ccc1C)OC 512a_106832991638_100000760359 [1,1,0,0,0,0|1,0,0]=3 1089 B14R1.3724 CNC(=O)Nc1cc(ccc1Cl)OC 2430a_100000745576_100102657272 [1,1,0,0,0,0|1,0,0]=3 1090 B14R1.3724 CNC(=O)Nc1cc(ccc1F)OC 2430a_100000764331_100102657272 [1,1,0,0,0,0|1,0,0]=3 1091 B14R1.3724 CNC(=O)Nc1cc(ccc1I)OC 2430a_100000748021_100102657272 [1,1,0,0,0,0|1,0,0]=3 1092 B14R1.3724 CNC(=O)Nc1cc(ccc1O)C#N 2430a_100000766272_100102657272 [1,1,0,0,0,0|1,0,1]=4 1093 B14R1.3724 CNC(=O)Nc1cc(ccc1O)OC 2430a_100000188146_100102657272 [1,1,0,0,0,0|0,0,0]=2 1094 B14R1.3724 COC(=O)Cc1cc(ccc1O)SC 62a_100010185610_200000210301 [1,1,0,0,0,0|1,1,0]=4 1095 B14R1.3724 COC(=O)Cc1cc(ccc1O)SC 62a_200000210301_100010185610 [1,1,0,0,0,0|1,1,0]=4 1096 B14R1.3724 COC(=O)Cc1cc(ccc1O)S[13CH3] 62a_100010185610_200025704644 [1,1,0,0,0,0|1,1,0]=4 1097 B14R1.3724 COC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100010185610 [1,1,0,0,0,0|1,1,0]=4 1098 B14R1.3724 COc1ccc(c(c1)CC(=O)CF)Br 1458a_100000690513_100015361967 [1,1,0,0,0,0|2,0,0]=4 1099 B14R1.3724 COc1ccc(c(c1)CC(=O)CF)Cl 1458a_100010217559_100015361967 [1,1,0,0,0,0|2,0,0]=4 1100 B14R1.3724 COc1ccc(c(c1)CC(=O)CF)F 1458a_100009868546_100015361967 [1,1,0,0,0,0|2,0,0]=4 1101 B14R1.3724 COc1ccc(c(c1)CC(=O)CO)Br 1458a_100000210174_100000761528 [1,1,0,0,0,0|2,0,0]=4 1102 B14R1.3724 COc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100000718613 [1,1,0,0,0,0|2,0,0]=4 1103 B14R1.3724 COc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100010243555 [1,1,0,0,0,0|2,0,0]=4 1104 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)Br 22a_100000748603_100000210174 [1,1,0,0,0,0|1,0,0]=3 1105 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)C 22a_100000760359_100000210174 [1,1,0,0,0,0|1,0,0]=3 1106 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)C 527a_100000760359_100000210174 [1,1,0,0,0,0|1,0,0]=3 1107 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)Cl 22a_100000745576_100000210174 [1,1,0,0,0,0|1,0,0]=3 1108 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)F 22a_100000764331_100000210174 [1,1,0,0,0,0|1,0,0]=3 1109 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)F 527a_100000764331_100000210174 [1,1,0,0,0,0|1,0,0]=3 1110 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)I 22a_100000748021_100000210174 [1,1,0,0,0,0|1,0,0]=3 1111 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)O 22a_100000188146_100000210174 [1,1,0,0,0,0|0,0,0]=2 1112 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)O 527a_100000188146_100000210174 [1,1,0,0,0,0|0,0,0]=2 1113 B14R1.3724 COc1ccc(c(c1)NC(C)CO)O 34a_100000188146_100012180447 [1,1,0,0,0,0|0,0,2]=4 1114 B14R1.3724 Cc1ccc(cc1NC(=O)CO)CO 22a_100000758420_100000210174 [1,1,0,0,0,0|1,0,0]=3 1115 B14R1.3724 N#Cc1ccc(c(c1)NC(=O)CO)O 22a_100000766272_100000210174 [1,1,0,0,0,0|1,0,1]=4 1116 B14R1.3724 N#Cc1ccc(c(c1)NC(=O)CO)O 527a_100000766272_100000210174 [1,1,0,0,0,0|1,0,1]=4 1117 B14R1.3724 O=C(CO)Nc1cc(ccc1F)CO 22a_102125399562_100000210174 [1,1,0,0,0,0|1,0,0]=3 1118 B14R1.3724 O=C(CO)Nc1cc(ccc1O)CO 22a_100000123545_100000210174 [1,1,0,0,0,0|0,0,0]=2 1119 B14R1.3724 O=C(CO)Nc1cc(ccc1O)CO 527a_100000123545_100000210174 [1,1,0,0,0,0|0,0,0]=2 1120 B14R1.439 CC=Cc1cc(ccc1C)NC(=O)C 271570a_100016259895_100011221169 [1,1,0,0,0,0|1,0,1]=4 1121 B14R1.439 CC=Cc1cc(ccc1F)NC(=O)C 271570a_100016259895_100012348134 [1,1,0,0,0,0|1,0,1]=4 1122 B14R1.439 CCNc1cc(ccc1C)NC(=O)C 34a_100000739390_100000210202 [1,1,0,0,0,0|2,0,0]=4 1123 B14R1.439 CCNc1cc(ccc1C)NC(=O)C 7a_100000739390_100000210202 [1,1,0,0,0,0|2,0,0]=4 1124 B14R1.439 CCNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_100000210202 [1,1,0,0,0,0|2,0,0]=4 1125 B14R1.439 CCNc1cc(ccc1F)NC(=O)C 34a_106454645589_100000210202 [1,1,0,0,0,0|2,0,0]=4 1126 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 11a_200016990551_100015343762 [1,1,0,0,0,0|2,0,0]=4 1127 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 1626a_200016990551_100015343762 [1,1,0,0,0,0|2,0,0]=4 1128 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 22a_200016990551_100000070787 [1,1,0,0,0,0|2,0,0]=4 1129 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 527a_200016990551_100103153847 [1,1,0,0,0,0|2,0,0]=4 1130 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 11a_100011964961_100015343762 [1,1,0,0,0,0|2,0,0]=4 1131 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 1626a_100011964961_100015343762 [1,1,0,0,0,0|2,0,0]=4 1132 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 22a_100011964961_100000070787 [1,1,0,0,0,0|2,0,0]=4 1133 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 34a_100011935283_100000210202 [1,1,0,0,0,0|2,0,0]=4 1134 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 527a_100011964961_100103153847 [1,1,0,0,0,0|2,0,0]=4 1135 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 7a_100011935283_100000210202 [1,1,0,0,0,0|2,0,0]=4 1136 B14R1.439 CCSc1cc(ccc1C)NC(=O)C 62a_100000210202_100011221169 [1,1,0,0,0,0|2,0,0]=4 1137 B14R1.439 CCSc1cc(ccc1F)NC(=O)C 62a_100000210202_100012348134 [1,1,0,0,0,0|2,0,0]=4 1138 B14R1.439 CNCc1cc(ccc1Br)OC(=O)C 270004a_106832991635_100009816906 [1,1,0,0,0,0|2,0,0]=4 1139 B14R1.439 CNCc1cc(ccc1Cl)NC(=O)C 26a_100102657272_100011935283 [1,1,0,0,0,0|1,0,0]=3 1140 B14R1.439 COCc1cc(ccc1Br)C=C(C)C 271570a_100102525489_202125822959 [1,1,0,0,0,0|2,0,0]=4 1141 B14R1.439 COCc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010140362 [1,1,0,0,0,0|2,0,0]=4 1142 B14R1.444 COCc1cc(cc(c1)C=C(C)C)F 271570a_100102525489_100012630430 [1,1,0,0,0,0|2,0,0]=4 1143 B14R1.469 CNCc1cccc(c1)NS(=O)(=O)C 207a_100102657272_100011218829 [1,1,0,0,0,0|2,0,0]=4 1144 B14R1.469 CNCc1cccc(c1)NS(=O)(=O)C 2230a_100000735428_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B14R1.469 CNCc1cccc(c1)NS(=O)(=O)C 270004a_106832991635_100011218829 [1,1,0,0,0,0|2,0,0]=4 1146 B14R1.469 CNCc1cccc(c1)NS(=O)(=O)C 34a_100000735428_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B14R1.469 COCc1cccc(c1)NC(C)(C)C 34a_100000737370_100000210625 [1,1,0,0,0,0|1,0,1]=4 1148 B14R1.469 COCc1cccc(c1)NS(=O)(=O)C 34a_100000198350_200000210301 [1,1,0,0,0,0|1,0,0]=3 1149 B14R1.469 COCc1cccc(c1)NS(=O)(=O)C 40a_100000737370_100000738038 [1,1,0,0,0,0|1,0,0]=3 1150 B14R1.469 COCc1cccc(c1)NS(=O)(=O)C 7a_100000198350_200000210301 [1,1,0,0,0,0|1,0,0]=3 1151 B14R1.469 CS(=O)(=O)Nc1cccc(c1)CN[13CH3] 2230a_100000735428_200025704644 [1,1,0,0,0,0|2,0,0]=4 1152 B14R1.469 CS(=O)(=O)Nc1cccc(c1)CN[13CH3] 34a_100000735428_200025704644 [1,1,0,0,0,0|2,0,0]=4 1153 B14R1.469 CS(=O)(=O)Nc1cccc(c1)CO[13CH3] 34a_100000198350_200025704644 [1,1,0,0,0,0|1,0,0]=3 1154 B14R1.469 CS(=O)(=O)Nc1cccc(c1)CO[13CH3] 7a_100000198350_200025704644 [1,1,0,0,0,0|1,0,0]=3 1155 B14R1.470 C#CC(C)Nc1cccc(c1)COC 34a_100000737370_200000035995 [1,1,0,0,0,0|1,0,1]=4 1156 B14R1.470 C=CC(=O)Nc1cccc(c1)CNC 26a_100102657272_100011235909 [1,1,0,0,0,0|1,0,1]=4 1157 B14R1.470 C=CC(=O)Nc1cccc(c1)COC 1626a_100000737370_100000185746 [1,1,0,0,0,0|0,0,1]=3 1158 B14R1.470 C=CC(=O)Nc1cccc(c1)COC 22a_100000737370_100000185746 [1,1,0,0,0,0|0,0,1]=3 1159 B14R1.470 CCC(=O)Nc1cccc(c1)CC#N 11a_100000017804_100000210414 [1,1,0,0,0,0|2,0,0]=4 1160 B14R1.470 CCC(=O)Nc1cccc(c1)CC#N 1626a_100000017804_100000210414 [1,1,0,0,0,0|2,0,0]=4 1161 B14R1.470 CCC(=O)Nc1cccc(c1)CC#N 22a_100000017804_100000210414 [1,1,0,0,0,0|2,0,0]=4 1162 B14R1.470 CCC(=O)Nc1cccc(c1)CC#N 527a_100000017804_100000210414 [1,1,0,0,0,0|2,0,0]=4 1163 B14R1.470 CCC(=O)Nc1cccc(c1)CCO 22a_100011996697_100000210414 [1,1,0,0,0,0|2,0,0]=4 1164 B14R1.470 CCC(=O)Nc1cccc(c1)CCO 527a_100011996697_100000210414 [1,1,0,0,0,0|2,0,0]=4 1165 B14R1.470 CCC(=O)Nc1cccc(c1)CNC 2230a_100000740940_200000210301 [1,1,0,0,0,0|1,0,0]=3 1166 B14R1.470 CCC(=O)Nc1cccc(c1)CNC 34a_100000740940_200000210301 [1,1,0,0,0,0|1,0,0]=3 1167 B14R1.470 CCC(=O)Nc1cccc(c1)CN[13CH3] 2230a_100000740940_200025704644 [1,1,0,0,0,0|1,0,0]=3 1168 B14R1.470 CCC(=O)Nc1cccc(c1)CN[13CH3] 34a_100000740940_200025704644 [1,1,0,0,0,0|1,0,0]=3 1169 B14R1.470 CCC(=O)Nc1cccc(c1)COC 11a_100000737370_100000210414 [1,1,0,0,0,0|0,0,0]=2 1170 B14R1.470 CCC(=O)Nc1cccc(c1)COC 1626a_100000737370_100000210414 [1,1,0,0,0,0|0,0,0]=2 1171 B14R1.470 CCC(=O)Nc1cccc(c1)COC 22a_100000737370_100000210414 [1,1,0,0,0,0|0,0,0]=2 1172 B14R1.470 CCC(=O)Nc1cccc(c1)COC 527a_100000737370_100000210414 [1,1,0,0,0,0|0,0,0]=2 1173 B14R1.470 CCC(C)Nc1cccc(c1)COC 2230a_100000737370_100000758301 [1,1,0,0,0,0|1,0,1]=4 1174 B14R1.470 CCC(C)Nc1cccc(c1)COC 34a_100000737370_100011215416 [1,1,0,0,0,0|1,0,1]=4 1175 B14R1.470 CCNc1cccc(c1)NC(=O)CC 34a_100000186510_100000210202 [1,1,0,0,0,0|2,0,0]=4 1176 B14R1.470 CCOc1cccc(c1)NC(=O)CC 11a_100000742568_100000210414 [1,1,0,0,0,0|2,0,0]=4 1177 B14R1.470 CCOc1cccc(c1)NC(=O)CC 1626a_100000742568_100000210414 [1,1,0,0,0,0|2,0,0]=4 1178 B14R1.470 CCOc1cccc(c1)NC(=O)CC 22a_100000742568_100000210414 [1,1,0,0,0,0|2,0,0]=4 1179 B14R1.470 CCOc1cccc(c1)NC(=O)CC 34a_100000158609_100000210202 [1,1,0,0,0,0|2,0,0]=4 1180 B14R1.470 CCOc1cccc(c1)NC(=O)CC 527a_100000742568_100000210414 [1,1,0,0,0,0|2,0,0]=4 1181 B14R1.470 CCOc1cccc(c1)NC(=O)CC 7a_100000158609_100000210202 [1,1,0,0,0,0|2,0,0]=4 1182 B14R1.470 CCOc1cccc(c1)NC(=O)CCl 34a_100011236192_100000210202 [1,1,0,0,0,0|2,0,0]=4 1183 B14R1.470 CCOc1cccc(c1)NC(=O)CCl 7a_100011236192_100000210202 [1,1,0,0,0,0|2,0,0]=4 1184 B14R1.470 CCOc1cccc(c1)NC(=O)CO 22a_100000742568_100000210174 [1,1,0,0,0,0|2,0,0]=4 1185 B14R1.470 CCOc1cccc(c1)NC(=O)CO 527a_100000742568_100000210174 [1,1,0,0,0,0|2,0,0]=4 1186 B14R1.470 CCOc1cccc(c1)NC(=O)NC 2430a_100000742568_100102657272 [1,1,0,0,0,0|2,0,0]=4 1187 B14R1.470 CCOc1cccc(c1)NC(=O)OC 34a_100000741004_100000210202 [1,1,0,0,0,0|2,0,0]=4 1188 B14R1.470 CCOc1cccc(c1)NC(=O)OC 7a_100000741004_100000210202 [1,1,0,0,0,0|2,0,0]=4 1189 B14R1.470 CNC(=O)Nc1cccc(c1)CC#N 2430a_100000017804_100102657272 [1,1,0,0,0,0|2,0,0]=4 1190 B14R1.470 CNC(=O)Nc1cccc(c1)CC#N 512a_100000017804_100102657272 [1,1,0,0,0,0|2,0,0]=4 1191 B14R1.470 CNC(=O)Nc1cccc(c1)CCO 512a_100011996697_100102657272 [1,1,0,0,0,0|2,0,0]=4 1192 B14R1.470 CNC(=O)Nc1cccc(c1)COC 2430a_100000737370_100102657272 [1,1,0,0,0,0|0,0,0]=2 1193 B14R1.470 CNC(=O)Nc1cccc(c1)COC 512a_100000737370_100102657272 [1,1,0,0,0,0|0,0,0]=2 1194 B14R1.470 COCc1cccc(c1)NC(=O)CO 22a_100000737370_100000210174 [1,1,0,0,0,0|0,0,0]=2 1195 B14R1.470 COCc1cccc(c1)NC(=O)CO 527a_100000737370_100000210174 [1,1,0,0,0,0|0,0,0]=2 1196 B14R1.470 COCc1cccc(c1)NC(C)C#N 2230a_100000737370_100000184139 [1,1,0,0,0,0|1,0,1]=4 1197 B14R1.470 COCc1cccc(c1)NC(C)CO 2230a_100000737370_100012180447 [1,1,0,0,0,0|0,0,2]=4 1198 B14R1.470 COCc1cccc(c1)NC(C)CO 34a_100000737370_100012180447 [1,1,0,0,0,0|0,0,2]=4 1199 B14R1.470 N#CCc1cccc(c1)NC(=O)CO 22a_100000017804_100000210174 [1,1,0,0,0,0|2,0,0]=4 1200 B14R1.470 N#CCc1cccc(c1)NC(=O)CO 527a_100000017804_100000210174 [1,1,0,0,0,0|2,0,0]=4 1201 B14R1.470 O=C(CO)Nc1cccc(c1)CCO 22a_100011996697_100000210174 [1,1,0,0,0,0|2,0,0]=4 1202 B14R1.470 O=C(CO)Nc1cccc(c1)CCO 527a_100011996697_100000210174 [1,1,0,0,0,0|2,0,0]=4 1203 B14R1.472 CCNc1cccc(c1C)NC(=O)C 34a_100000736503_100000210202 [1,1,0,0,0,0|2,0,0]=4 1204 B14R1.472 CCNc1cccc(c1C)NC(=O)C 7a_100000736503_100000210202 [1,1,0,0,0,0|2,0,0]=4 1205 B14R1.472 COCc1cccc(c1C)C=C(C)C 271570a_100102525489_100102485947 [1,1,0,0,0,0|2,0,0]=4 1206 B14R1.733 CCC(=O)c1cccc(c1)NC(=O)C 1458a_100000188798_100000210202 [1,1,0,0,0,0|1,0,1]=4 1207 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C 11a_100000185133_100015343762 [1,1,0,0,0,0|1,0,1]=4 1208 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C 11a_106832991635_100000188798 [1,1,0,0,0,0|1,0,1]=4 1209 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C 1626a_100000185133_100015343762 [1,1,0,0,0,0|1,0,1]=4 1210 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C 1626a_100102657272_100000188798 [1,1,0,0,0,0|1,0,1]=4 1211 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C 22a_100000185133_100000070787 [1,1,0,0,0,0|1,0,1]=4 1212 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C 240690a_100102657272_100000188798 [1,1,0,0,0,0|1,0,1]=4 1213 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C 527a_100000185133_100103153847 [1,1,0,0,0,0|1,0,1]=4 1214 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C 527a_100102657272_100000188798 [1,1,0,0,0,0|1,0,1]=4 1215 B14R1.733 CNC(C)c1cccc(c1)NC(=O)C 269862a_106832991636_100000155543 [1,1,0,0,0,0|1,0,0]=3 1216 B14R1.733 CNC(C)c1cccc(c1)OC(=O)C 269862a_106832991636_100000002162 [1,1,0,0,0,0|2,0,0]=4 1217 B14R1.733 COC(=O)c1cccc(c1)CC(=O)C 1458a_100000070787_100000184886 [1,1,0,0,0,0|1,0,1]=4 1218 B14R1.733 COC(=O)c1cccc(c1)CC(=O)C 1458a_100000111006_200000210301 [1,1,0,0,0,0|1,0,1]=4 1219 B14R1.733 COC(=O)c1cccc(c1)CC(=O)[13CH3] 1458a_100000111006_200025704644 [1,1,0,0,0,0|1,0,1]=4 1220 B14R1.733 COC(=O)c1cccc(c1)NC(=O)C 188690a_100020604953_100015343762 [1,1,0,0,0,0|0,0,1]=3 1221 B14R1.778 C#CCNc1cccc(c1)NC(=O)C 34a_100000749408_100000184674 [1,1,0,0,0,0|1,0,1]=4 1222 B14R1.778 C#CCOc1cccc(c1)NC(=O)C 34a_100000158604_100000184674 [1,1,0,0,0,0|1,0,1]=4 1223 B14R1.778 C#CCOc1cccc(c1)NC(=O)C 7a_100000158604_100000038162 [1,1,0,0,0,0|1,0,1]=4 1224 B14R1.778 C#CCSc1cccc(c1)NC(=O)C 62a_100000038162_100000153616 [1,1,0,0,0,0|1,0,1]=4 1225 B14R1.778 C=CCNc1cccc(c1)NC(=O)C 34a_100000749408_100015514636 [1,1,0,0,0,0|1,0,1]=4 1226 B14R1.778 C=CCOc1cccc(c1)NC(=O)C 34a_100000158604_100015514636 [1,1,0,0,0,0|1,0,1]=4 1227 B14R1.778 C=CCOc1cccc(c1)NC(=O)C 7a_100000158604_100015514636 [1,1,0,0,0,0|1,0,1]=4 1228 B14R1.778 C=CCSc1cccc(c1)NC(=O)C 62a_100000210623_100000153616 [1,1,0,0,0,0|1,0,1]=4 1229 B14R1.778 CC(=O)Nc1cccc(c1)CCCO 22a_200000698965_100000070787 [1,1,0,0,0,0|1,0,0]=3 1230 B14R1.778 CC(=O)Nc1cccc(c1)CCCO 527a_200000698965_100103153847 [1,1,0,0,0,0|1,0,0]=3 1231 B14R1.778 CC(=O)Nc1cccc(c1)CNCF 34a_100000740035_100015361967 [1,1,0,0,0,0|1,0,0]=3 1232 B14R1.778 CC(=O)Nc1cccc(c1)NCC=O 34a_100000749408_200009817547 [1,1,0,0,0,0|2,0,0]=4 1233 B14R1.778 CC(=O)Nc1cccc(c1)NCCF 34a_100000749408_100011217306 [1,1,0,0,0,0|2,0,0]=4 1234 B14R1.778 CC(=O)Nc1cccc(c1)NCCO 34a_100000749408_100000211926 [1,1,0,0,0,0|2,0,0]=4 1235 B14R1.778 CC(=O)Nc1cccc(c1)OCC#N 11a_100000739570_100015343762 [1,1,0,0,0,0|2,0,0]=4 1236 B14R1.778 CC(=O)Nc1cccc(c1)OCC#N 1626a_100000739570_100015343762 [1,1,0,0,0,0|2,0,0]=4 1237 B14R1.778 CC(=O)Nc1cccc(c1)OCC#N 22a_100000739570_100000070787 [1,1,0,0,0,0|2,0,0]=4 1238 B14R1.778 CC(=O)Nc1cccc(c1)OCC#N 527a_100000739570_100103153847 [1,1,0,0,0,0|2,0,0]=4 1239 B14R1.778 CC(=O)Nc1cccc(c1)OCC#N 7a_100000158604_100011215382 [1,1,0,0,0,0|2,0,0]=4 1240 B14R1.778 CC(=O)Nc1cccc(c1)OCC=O 34a_100000158604_200009817547 [1,1,0,0,0,0|2,0,0]=4 1241 B14R1.778 CC(=O)Nc1cccc(c1)OCC=O 7a_100000158604_200015260668 [1,1,0,0,0,0|2,0,0]=4 1242 B14R1.778 CC(=O)Nc1cccc(c1)OCCF 34a_100000158604_100011217306 [1,1,0,0,0,0|2,0,0]=4 1243 B14R1.778 CC(=O)Nc1cccc(c1)OCCF 7a_100000158604_100011217306 [1,1,0,0,0,0|2,0,0]=4 1244 B14R1.778 CC(=O)Nc1cccc(c1)OCCO 22a_100011232151_100000070787 [1,1,0,0,0,0|2,0,0]=4 1245 B14R1.778 CC(=O)Nc1cccc(c1)OCCO 34a_100000158604_100000211926 [1,1,0,0,0,0|2,0,0]=4 1246 B14R1.778 CC(=O)Nc1cccc(c1)OCCO 527a_100011232151_100103153847 [1,1,0,0,0,0|2,0,0]=4 1247 B14R1.778 CC(=O)Nc1cccc(c1)OCCO 7a_100000158604_100000211926 [1,1,0,0,0,0|2,0,0]=4 1248 B14R1.778 CC(=O)Nc1cccc(c1)SCC#N 62a_100011215382_100000153616 [1,1,0,0,0,0|2,0,0]=4 1249 B14R1.778 CC(=O)Nc1cccc(c1)SCC=O 62a_200015260668_100000153616 [1,1,0,0,0,0|2,0,0]=4 1250 B14R1.778 CC(=O)Nc1cccc(c1)SCCF 62a_100011217306_100000153616 [1,1,0,0,0,0|2,0,0]=4 1251 B14R1.778 CC(=O)Nc1cccc(c1)SCCO 62a_100000211926_100000153616 [1,1,0,0,0,0|2,0,0]=4 1252 B14R1.778 CC(=O)Oc1cccc(c1)CSCF 62a_100015361967_200009816940 [1,1,0,0,0,0|1,1,0]=4 1253 B14R1.778 CC(=O)Oc1cccc(c1)CSCF 62a_200009816940_100015361967 [1,1,0,0,0,0|1,1,0]=4 1254 B14R1.778 CCCCc1cc(ccn1)NC(=O)C 271570a_100020621405_100000238608 [1,1,0,0,0,0|2,0,0]=4 1255 B14R1.778 CCCCc1cccc(c1)CC(=O)C 271570a_100020621405_100000689217 [1,1,0,0,0,0|2,0,0]=4 1256 B14R1.778 CCCCc1cccc(c1)NC(=O)C 11a_200012017287_100015343762 [1,1,0,0,0,0|1,0,0]=3 1257 B14R1.778 CCCCc1cccc(c1)NC(=O)C 1626a_200012017287_100015343762 [1,1,0,0,0,0|1,0,0]=3 1258 B14R1.778 CCCCc1cccc(c1)NC(=O)C 22a_200012017287_100000070787 [1,1,0,0,0,0|1,0,0]=3 1259 B14R1.778 CCCCc1cccc(c1)NC(=O)C 271570a_100020621405_100000153616 [1,1,0,0,0,0|1,0,0]=3 1260 B14R1.778 CCCCc1cccc(c1)NC(=O)C 527a_200012017287_100103153847 [1,1,0,0,0,0|1,0,0]=3 1261 B14R1.778 CCCCc1cccc(c1)NC(=O)N 271570a_100020621405_100000238923 [1,1,0,0,0,0|2,0,0]=4 1262 B14R1.778 CCCCc1cccc(c1)OC(=O)C 271570a_100020621405_100009811612 [1,1,0,0,0,0|2,0,0]=4 1263 B14R1.778 CCCCc1cccc(n1)NC(=O)C 271570a_100020621405_200011307899 [1,1,0,0,0,0|2,0,0]=4 1264 B14R1.778 CCCCc1ccnc(c1)NC(=O)C 271570a_100020621405_100012362434 [1,1,0,0,0,0|2,0,0]=4 1265 B14R1.778 CCCCc1cncc(c1)NC(=O)C 271570a_100020621405_100012351681 [1,1,0,0,0,0|2,0,0]=4 1266 B14R1.778 CCCNc1cccc(c1)NC(=O)C 34a_100000749408_100000210303 [1,1,0,0,0,0|1,0,0]=3 1267 B14R1.778 CCCNc1cccc(c1)NC(=O)N 34a_100000736001_100000210303 [1,1,0,0,0,0|2,0,0]=4 1268 B14R1.778 CCCOc1cccc(c1)CC(=O)C 1458a_100000690745_200000210301 [1,1,0,0,0,0|2,0,0]=4 1269 B14R1.778 CCCOc1cccc(c1)CC(=O)[13CH3] 1458a_100000690745_200025704644 [1,1,0,0,0,0|2,0,0]=4 1270 B14R1.778 CCCOc1cccc(c1)NC(=O)C 34a_100000158604_100000210303 [1,1,0,0,0,0|1,0,0]=3 1271 B14R1.778 CCCOc1cccc(c1)NC(=O)C 7a_100000158604_100000210303 [1,1,0,0,0,0|1,0,0]=3 1272 B14R1.778 CCCOc1cccc(c1)NC(=O)N 34a_100011219624_100000210303 [1,1,0,0,0,0|2,0,0]=4 1273 B14R1.778 CCCOc1cccc(c1)NC(=O)N 7a_100011219624_100000210303 [1,1,0,0,0,0|2,0,0]=4 1274 B14R1.778 CCCOc1cccc(c1)OC(=O)C 7a_100011218754_100000210303 [1,1,0,0,0,0|2,0,0]=4 1275 B14R1.778 CCCSc1cc(ccn1)NC(=O)C 62a_100000210303_100000238608 [1,1,0,0,0,0|2,0,0]=4 1276 B14R1.778 CCCSc1cccc(c1)CC(=O)C 62a_100000210303_100000689217 [1,1,0,0,0,0|2,0,0]=4 1277 B14R1.778 CCCSc1cccc(c1)CC(=O)C 62a_100000689217_100000210303 [1,1,0,0,0,0|2,0,0]=4 1278 B14R1.778 CCCSc1cccc(c1)NC(=O)C 62a_100000210303_100000153616 [1,1,0,0,0,0|1,0,0]=3 1279 B14R1.778 CCCSc1cccc(c1)NC(=O)N 62a_100000210303_100000238923 [1,1,0,0,0,0|2,0,0]=4 1280 B14R1.778 CCCSc1cccc(c1)OC(=O)C 62a_100000210303_100009811612 [1,1,0,0,0,0|2,0,0]=4 1281 B14R1.778 CCCSc1cccc(n1)NC(=O)C 62a_100000210303_200011307899 [1,1,0,0,0,0|2,0,0]=4 1282 B14R1.778 CCCSc1ccnc(c1)NC(=O)C 62a_100000210303_100012362434 [1,1,0,0,0,0|2,0,0]=4 1283 B14R1.778 CCCSc1cncc(c1)NC(=O)C 62a_100000210303_100012351681 [1,1,0,0,0,0|2,0,0]=4 1284 B14R1.778 CCNCc1cccc(c1)NC(=O)C 207a_100015525214_100011257792 [1,1,0,0,0,0|1,0,0]=3 1285 B14R1.778 CCNCc1cccc(c1)NC(=O)C 2230a_100000740035_100000210202 [1,1,0,0,0,0|1,0,0]=3 1286 B14R1.778 CCNCc1cccc(c1)NC(=O)C 270004a_100015525214_100011257792 [1,1,0,0,0,0|1,0,0]=3 1287 B14R1.778 CCNCc1cccc(c1)NC(=O)C 34a_100000740035_100000210202 [1,1,0,0,0,0|1,0,0]=3 1288 B14R1.778 CCNCc1cccc(c1)OC(=O)C 207a_100015525214_100000014719 [1,1,0,0,0,0|2,0,0]=4 1289 B14R1.778 CCNCc1cccc(c1)OC(=O)C 2230a_100015525214_200009816940 [1,1,0,0,0,0|2,0,0]=4 1290 B14R1.778 CCNCc1cccc(c1)OC(=O)C 270004a_100015525214_100000014719 [1,1,0,0,0,0|2,0,0]=4 1291 B14R1.778 CCOCc1cccc(c1)C=C(C)C 271570a_100102525489_100011493694 [1,1,0,0,0,0|2,0,0]=4 1292 B14R1.778 CCOCc1cccc(c1)OC(=O)C 34a_100121572206_200009816940 [1,1,0,0,0,0|1,0,0]=3 1293 B14R1.778 CCSCc1cccc(c1)OC(=O)C 62a_100000210202_200009816940 [1,1,0,0,0,0|1,1,0]=4 1294 B14R1.778 CCSCc1cccc(c1)OC(=O)C 62a_200009816940_100000210202 [1,1,0,0,0,0|1,1,0]=4 1295 B14R1.778 COCNc1cccc(c1)CC(=O)N 2230a_200011690101_100000766300 [1,1,0,0,0,0|2,0,0]=4 1296 B14R1.778 COCOc1cccc(c1)C=C(C)C 271570a_100102525489_100012265688 [1,1,0,0,0,0|2,0,0]=4 1297 B14R1.778 COCOc1cccc(c1)NC(=O)C 11a_100012265470_100015343762 [1,1,0,0,0,0|0,0,0]=2 1298 B14R1.778 COCOc1cccc(c1)NC(=O)C 1626a_100012265470_100015343762 [1,1,0,0,0,0|0,0,0]=2 1299 B14R1.778 COCOc1cccc(c1)NC(=O)C 22a_100012265470_100000070787 [1,1,0,0,0,0|0,0,0]=2 1300 B14R1.778 COCOc1cccc(c1)NC(=O)C 527a_100012265470_100103153847 [1,1,0,0,0,0|0,0,0]=2 1301 B14R1.778 COCOc1cccc(c1)NC(C)C 34a_100012265470_100000210206 [1,1,0,0,0,0|1,0,1]=4 1302 B14R1.778 COCSc1cc(ccn1)NC(=O)C 62a_100000766300_100000238608 [1,1,0,0,0,0|1,0,0]=3 1303 B14R1.778 COCSc1cccc(c1)CC(=O)C 62a_100000689217_100000766300 [1,1,0,0,0,0|1,0,0]=3 1304 B14R1.778 COCSc1cccc(c1)CC(=O)C 62a_100000766300_100000689217 [1,1,0,0,0,0|1,0,0]=3 1305 B14R1.778 COCSc1cccc(c1)CC(=O)N 62a_100000766300_100011586816 [1,1,0,0,0,0|2,0,0]=4 1306 B14R1.778 COCSc1cccc(c1)CC(=O)N 62a_100011586816_100000766300 [1,1,0,0,0,0|2,0,0]=4 1307 B14R1.778 COCSc1cccc(c1)NC(=O)C 62a_100000766300_100000153616 [1,1,0,0,0,0|0,0,0]=2 1308 B14R1.778 COCSc1cccc(c1)NC(=O)N 62a_100000766300_100000238923 [1,1,0,0,0,0|1,0,0]=3 1309 B14R1.778 COCSc1cccc(c1)NC(C)C 62a_100000219649_100000766300 [1,1,0,0,0,0|1,0,1]=4 1310 B14R1.778 COCSc1cccc(c1)NC(C)C 62a_100000766300_100000219649 [1,1,0,0,0,0|1,0,1]=4 1311 B14R1.778 COCSc1cccc(c1)OC(=O)C 62a_100000766300_100009811612 [1,1,0,0,0,0|1,0,0]=3 1312 B14R1.778 COCSc1cccc(n1)NC(=O)C 62a_100000766300_200011307899 [1,1,0,0,0,0|1,0,0]=3 1313 B14R1.778 COCSc1ccnc(c1)NC(=O)C 62a_100000766300_100012362434 [1,1,0,0,0,0|1,0,0]=3 1314 B14R1.778 COCSc1cncc(c1)NC(=O)C 62a_100000766300_100012351681 [1,1,0,0,0,0|1,0,0]=3 1315 B14R1.778 COCSc1cncc(n1)NC(=O)C 62a_100000766300_100000703374 [1,1,0,0,0,0|2,0,0]=4 1316 B14R1.778 CSCNc1cccc(c1)NC(=O)C 34a_100000749408_100011218213 [1,1,0,0,0,0|0,1,0]=3 1317 B14R1.778 CSCNc1cccc(c1)NC(=O)N 34a_100000736001_100011218213 [1,1,0,0,0,0|1,1,0]=4 1318 B14R1.778 CSCOc1cccc(c1)NC(=O)C 34a_100000158604_100011218213 [1,1,0,0,0,0|0,1,0]=3 1319 B14R1.778 CSCOc1cccc(c1)NC(=O)N 34a_100011219624_100011218213 [1,1,0,0,0,0|1,1,0]=4 1320 B14R1.778 CSCSc1cc(ccn1)NC(=O)C 62a_100011218213_100000238608 [1,1,0,0,0,0|1,1,0]=4 1321 B14R1.778 CSCSc1cccc(c1)CC(=O)C 62a_100000689217_100011218213 [1,1,0,0,0,0|1,1,0]=4 1322 B14R1.778 CSCSc1cccc(c1)CC(=O)C 62a_100011218213_100000689217 [1,1,0,0,0,0|1,1,0]=4 1323 B14R1.778 CSCSc1cccc(c1)NC(=O)C 62a_100011218213_100000153616 [1,1,0,0,0,0|0,1,0]=3 1324 B14R1.778 CSCSc1cccc(c1)NC(=O)N 62a_100011218213_100000238923 [1,1,0,0,0,0|1,1,0]=4 1325 B14R1.778 CSCSc1cccc(c1)OC(=O)C 62a_100011218213_100009811612 [1,1,0,0,0,0|1,1,0]=4 1326 B14R1.778 CSCSc1cccc(n1)NC(=O)C 62a_100011218213_200011307899 [1,1,0,0,0,0|1,1,0]=4 1327 B14R1.778 CSCSc1ccnc(c1)NC(=O)C 62a_100011218213_100012362434 [1,1,0,0,0,0|1,1,0]=4 1328 B14R1.778 CSCSc1cncc(c1)NC(=O)C 62a_100011218213_100012351681 [1,1,0,0,0,0|1,1,0]=4 1329 B14R1.811 CC(=O)Cc1cccc(c1)OC(=O)C 1458a_100000070787_200009816940 [1,1,0,0,0,0|2,0,0]=4 1330 B14R1.811 CC(=O)Nc1cccc(c1)C=C(C)C 271570a_100102525489_100000153616 [1,1,0,0,0,0|1,0,1]=4 1331 B14R1.811 CC(=O)Nc1cccc(c1)CC(=O)N 11a_200011690101_100015343762 [1,1,0,0,0,0|2,0,0]=4 1332 B14R1.811 CC(=O)Nc1cccc(c1)CC(=O)N 1626a_200011690101_100015343762 [1,1,0,0,0,0|2,0,0]=4 1333 B14R1.811 CC(=O)Nc1cccc(c1)CC(=O)N 22a_200011690101_100000070787 [1,1,0,0,0,0|2,0,0]=4 1334 B14R1.811 CC(=O)Nc1cccc(c1)CC(=O)N 527a_200011690101_100103153847 [1,1,0,0,0,0|2,0,0]=4 1335 B14R1.811 CC(=O)Nc1cccc(c1)CN(C)C 11a_100000738294_100015343762 [1,1,0,0,0,0|1,0,0]=3 1336 B14R1.811 CC(=O)Nc1cccc(c1)CN(C)C 22a_100000738294_100000070787 [1,1,0,0,0,0|1,0,0]=3 1337 B14R1.811 CC(=O)Nc1cccc(c1)CN(C)C 270004a_100102631434_100011257792 [1,1,0,0,0,0|1,0,0]=3 1338 B14R1.811 CC(=O)Nc1cccc(c1)CN(C)C 527a_100000738294_100103153847 [1,1,0,0,0,0|1,0,0]=3 1339 B14R1.811 CC(=O)Nc1cccc(c1)NC(=O)C 11a_100000749408_100015343762 [1,1,0,0,0,0|2,0,0]=4 1340 B14R1.811 CC(=O)Nc1cccc(c1)NC(=O)C 1626a_100000749408_100015343762 [1,1,0,0,0,0|2,0,0]=4 1341 B14R1.811 CC(=O)Nc1cccc(c1)NC(=O)C 22a_100000749408_100000070787 [1,1,0,0,0,0|2,0,0]=4 1342 B14R1.811 CC(=O)Nc1cccc(c1)NC(=O)C 527a_100000749408_100103153847 [1,1,0,0,0,0|2,0,0]=4 1343 B14R1.811 CC(=O)Nc1cccc(c1)NC(C)C 34a_100000749408_100000210206 [1,1,0,0,0,0|2,0,0]=4 1344 B14R1.811 CC(=O)Nc1cccc(c1)OC(C)C 11a_100011194262_100015343762 [1,1,0,0,0,0|2,0,0]=4 1345 B14R1.811 CC(=O)Nc1cccc(c1)OC(C)C 1626a_100011194262_100015343762 [1,1,0,0,0,0|2,0,0]=4 1346 B14R1.811 CC(=O)Nc1cccc(c1)OC(C)C 22a_100011194262_100000070787 [1,1,0,0,0,0|2,0,0]=4 1347 B14R1.811 CC(=O)Nc1cccc(c1)OC(C)C 34a_100000158604_100000210206 [1,1,0,0,0,0|2,0,0]=4 1348 B14R1.811 CC(=O)Nc1cccc(c1)OC(C)C 527a_100011194262_100103153847 [1,1,0,0,0,0|2,0,0]=4 1349 B14R1.811 CC(=O)Nc1cccc(c1)OC(C)C 7a_100000158604_100000210206 [1,1,0,0,0,0|2,0,0]=4 1350 B14R1.811 CC(=O)Nc1cccc(c1)SC(C)C 62a_100000210206_100000153616 [1,1,0,0,0,0|2,0,0]=4 1351 B14R1.811 CC(=O)Oc1cccc(c1)CN(C)C 2230a_100102631434_200009816940 [1,1,0,0,0,0|2,0,0]=4 1352 B14R1.811 CC(=O)Oc1cccc(c1)CN(C)C 269982a_100102631434_200009816940 [1,1,0,0,0,0|2,0,0]=4 1353 B14R1.811 CC(=O)Oc1cccc(c1)CN(C)C 270004a_100102631434_100000014719 [1,1,0,0,0,0|2,0,0]=4 1354 B14R1.3326 CC(=O)N(C)c1cccc(c1)CN[13CH3] 2230a_100020605210_200025704644 [1,1,0,0,0,0|1,0,0]=3 1355 B14R1.3326 CCNc1cccc(c1)N(C)C(=O)C 34a_100000765750_100000210202 [1,1,0,0,0,0|2,0,0]=4 1356 B14R1.3326 CNCc1cccc(c1)N(C)C(=O)C 2230a_100020605210_200000210301 [1,1,0,0,0,0|1,0,0]=3 1357 B14R1.3326 COCc1cccc(c1)C(=C(C)C)C 271570a_200000049429_100011493687 [1,1,0,0,0,0|2,0,0]=4 1358 B14R1.436 CC=Cc1cc(ccc1O)C(=O)OC 271570a_100016259895_100000216328 [1,1,0,0,0,0|1,0,1]=4 1359 B14R1.761 C=CCNc1cc(ccc1Br)COC 34a_200013033220_100015514636 [1,1,0,0,0,0|1,0,1]=4 1360 B14R1.761 CCCNc1cc(ccc1Br)COC 34a_200013033220_100000210303 [1,1,0,0,0,0|1,0,1]=4 1361 B14R1.761 COCc1ccc(c(c1)NCC=O)Br 34a_200013033220_200009817547 [1,1,0,0,0,0|1,0,0]=3 1362 B14R1.761 COCc1ccc(c(c1)NCCF)Br 34a_200013033220_100011217306 [1,1,0,0,0,0|1,0,1]=4 1363 B14R1.761 COCc1ccc(c(c1)NCCO)Br 34a_200013033220_100000211926 [1,1,0,0,0,0|1,0,1]=4 1364 B14R1.761 COCc1ccc(c(c1)NCSC)Br 34a_200013033220_100011218213 [1,1,0,0,0,0|1,0,1]=4 1365 B14R1.761 COCc1ccc(c(c1)SCC=O)C 62a_200015260668_200015395492 [1,1,0,0,0,0|2,0,0]=4 1366 B14R1.761 COCc1ccc(c(c1)SCC=O)C 62a_200015395492_200015260668 [1,1,0,0,0,0|2,0,0]=4 1367 B14R1.761 COCc1ccc(c(c1)SCC=O)F 62a_200011493689_200015260668 [1,1,0,0,0,0|2,0,0]=4 1368 B14R1.761 COCc1ccc(c(c1)SCC=O)F 62a_200015260668_200011493689 [1,1,0,0,0,0|2,0,0]=4 1369 B14R1.791 CC=Cc1cc(ccc1C)OCOC 271570a_100016259895_200015918306 [1,1,0,0,0,0|2,0,0]=4 1370 B14R1.791 CCNc1cc(ccc1N)SCOC 62a_100000696630_100000766300 [1,1,0,0,0,0|1,0,1]=4 1371 B14R1.791 CCNc1cc(ccc1N)SCOC 62a_100000766300_100000696630 [1,1,0,0,0,0|1,0,1]=4 1372 B14R1.791 CNCc1cc(ccc1O)SCOC 62a_100000766300_100011602694 [1,1,0,0,0,0|2,0,0]=4 1373 B14R1.791 CNCc1cc(ccc1O)SCOC 62a_100011602694_100000766300 [1,1,0,0,0,0|2,0,0]=4 1374 B14R1.705 C=C(C)c1cc(ccc1O)CC(=O)C 271570a_100000694244_100010141077 [0,1,0,0,1,0|2,0,0]=4 1375 B14R1.705 CC(=O)Nc1ccc(c(c1)C(=O)C)O 1458a_100000743812_200000210301 [0,1,0,0,1,0|2,0,0]=4 1376 B14R1.705 CC(=O)Nc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000743812_200025704644 [0,1,0,0,1,0|2,0,0]=4 1377 B14R1.705 CC(=O)c1cc(ccc1O)C=C(C)C 271570a_100102525489_100000212127 [0,1,0,0,1,0|1,0,1]=4 1378 B14R1.748 C=C(C)c1cc(ccc1O)C(=O)OC 271570a_100000694244_100000216328 [0,1,0,0,1,0|1,0,1]=4 1379 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)Br 1458a_100010710364_200000210301 [0,1,0,0,1,0|1,0,1]=4 1380 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)Cl 1458a_200000732520_200000210301 [0,1,0,0,1,0|1,0,1]=4 1381 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)O 271570a_203496583355_200016005208 [0,1,0,0,1,0|0,0,1]=3 1382 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)[13CH3])Br 1458a_100010710364_200025704644 [0,1,0,0,1,0|1,0,1]=4 1383 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)[13CH3])Cl 1458a_200000732520_200025704644 [0,1,0,0,1,0|1,0,1]=4 1384 B14R1.794 C=C(C)c1cc(ccc1C)OCOC 271570a_100000694244_200015918306 [0,1,0,0,1,0|2,0,0]=4 1385 B14R1.794 CCCCc1ccc(c(c1)C(=O)C)C 271570a_100020621405_100012706819 [0,1,0,0,1,0|2,0,0]=4 1386 B14R1.794 CCCCc1ccc(c(c1)C(=O)C)Cl 271570a_100020621405_100010712560 [0,1,0,0,1,0|2,0,0]=4 1387 B14R1.794 CCCCc1ccc(c(c1)C(=O)C)F 271570a_100020621405_100000689017 [0,1,0,0,1,0|2,0,0]=4 1388 B14R1.794 CCCCc1ccc(c(c1)C(=O)C)N 271570a_100020621405_100000695420 [0,1,0,0,1,0|2,0,0]=4 1389 B14R1.794 CCCCc1ccc(c(c1)C(=O)C)O 271570a_100020621405_100000212127 [0,1,0,0,1,0|1,0,0]=3 1390 B14R1.794 CCCCc1ccc(c(c1)C(=O)N)O 271570a_100020621405_100000192807 [0,1,0,0,1,0|2,0,0]=4 1391 B14R1.794 CCCOc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_100000210303 [0,1,0,0,1,0|2,0,0]=4 1392 B14R1.794 CCCOc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_100000210303 [0,1,0,0,1,0|2,0,0]=4 1393 B14R1.794 CCCOc1ccc(c(c1)C(=O)C)F 34a_100000091700_100000210303 [0,1,0,0,1,0|2,0,0]=4 1394 B14R1.794 CCCOc1ccc(c(c1)C(=O)C)F 7a_100000091700_100000210303 [0,1,0,0,1,0|2,0,0]=4 1395 B14R1.794 CCCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100000210303 [0,1,0,0,1,0|2,0,0]=4 1396 B14R1.794 CCCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100000210303 [0,1,0,0,1,0|2,0,0]=4 1397 B14R1.794 CCCSc1ccc(c(c1)C(=O)C)F 62a_100000210303_100010254839 [0,1,0,0,1,0|2,0,0]=4 1398 B14R1.794 CCCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100000210303 [0,1,0,0,1,0|2,0,0]=4 1399 B14R1.794 CCCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100000210303 [0,1,0,0,1,0|2,0,0]=4 1400 B14R1.794 CCCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000210303 [0,1,0,0,1,0|2,0,0]=4 1401 B14R1.794 COCOc1ccc(c(c1)C(=O)C)Br 1458a_200012945975_200000210301 [0,1,0,0,1,0|1,0,0]=3 1402 B14R1.794 COCOc1ccc(c(c1)C(=O)[13CH3])Br 1458a_200012945975_200025704644 [0,1,0,0,1,0|1,0,0]=3 1403 B14R1.794 COCSc1cc(c(cn1)F)C(=O)C 62a_100000697832_100000766300 [0,1,0,0,1,0|2,0,0]=4 1404 B14R1.794 COCSc1cc(c(cn1)F)C(=O)C 62a_100000766300_100000697832 [0,1,0,0,1,0|2,0,0]=4 1405 B14R1.794 COCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100000766300 [0,1,0,0,1,0|1,0,0]=3 1406 B14R1.794 COCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100000766300 [0,1,0,0,1,0|1,0,0]=3 1407 B14R1.794 COCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100000766300 [0,1,0,0,1,0|1,0,0]=3 1408 B14R1.794 COCSc1ccc(c(c1)C(=O)C)F 62a_100000766300_100010254839 [0,1,0,0,1,0|1,0,0]=3 1409 B14R1.794 COCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100000766300 [0,1,0,0,1,0|1,0,0]=3 1410 B14R1.794 COCSc1ccc(c(c1)C(=O)N)C 62a_100000766300_100012257281 [0,1,0,0,1,0|2,0,0]=4 1411 B14R1.794 COCSc1ccc(c(c1)C(=O)N)C 62a_100012257281_100000766300 [0,1,0,0,1,0|2,0,0]=4 1412 B14R1.794 COCSc1ccc(c(c1)C(=O)N)F 62a_100000162119_100000766300 [0,1,0,0,1,0|2,0,0]=4 1413 B14R1.794 COCSc1ccc(c(c1)C(=O)N)N 62a_100000740421_100000766300 [0,1,0,0,1,0|2,0,0]=4 1414 B14R1.794 COCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000766300 [0,1,0,0,1,0|1,0,0]=3 1415 B14R1.794 COCSc1ccc(c(c1)C(C)C)O 62a_100000691460_100000766300 [0,1,0,0,1,0|1,0,1]=4 1416 B14R1.794 COCSc1ccc(c(c1)C(C)C)O 62a_100000766300_100000691460 [0,1,0,0,1,0|1,0,1]=4 1417 B14R1.794 COCSc1ccc(c(n1)C(=O)C)F 62a_100000766300_100009887703 [0,1,0,0,1,0|2,0,0]=4 1418 B14R1.794 COCSc1ccc(c(n1)C(=O)C)F 62a_100009887703_100000766300 [0,1,0,0,1,0|2,0,0]=4 1419 B14R1.794 COCSc1cnc(c(c1)C(=O)C)C 62a_100000766300_100138557192 [0,1,0,0,1,0|2,0,0]=4 1420 B14R1.794 COCSc1cnc(c(c1)C(=O)C)C 62a_100138557192_100000766300 [0,1,0,0,1,0|2,0,0]=4 1421 B14R1.794 COCSc1cnc(c(c1)C(=O)C)F 62a_100000766300_100010254234 [0,1,0,0,1,0|2,0,0]=4 1422 B14R1.794 COCSc1cnc(c(c1)C(=O)C)F 62a_100010254234_100000766300 [0,1,0,0,1,0|2,0,0]=4 1423 B14R1.794 COCSc1cnc(c(c1)C(=O)C)N 62a_100000766300_100010173950 [0,1,0,0,1,0|2,0,0]=4 1424 B14R1.794 COCSc1cnc(c(c1)C(=O)C)N 62a_100010173950_100000766300 [0,1,0,0,1,0|2,0,0]=4 1425 B14R1.794 CSCOc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_100011218213 [0,1,0,0,1,0|1,1,0]=4 1426 B14R1.794 CSCOc1ccc(c(c1)C(=O)C)F 34a_100000091700_100011218213 [0,1,0,0,1,0|1,1,0]=4 1427 B14R1.794 CSCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100011218213 [0,1,0,0,1,0|1,1,0]=4 1428 B14R1.794 CSCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100011218213 [0,1,0,0,1,0|1,1,0]=4 1429 B14R1.794 CSCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100011218213 [0,1,0,0,1,0|1,1,0]=4 1430 B14R1.794 CSCSc1ccc(c(c1)C(=O)C)F 62a_100011218213_100010254839 [0,1,0,0,1,0|1,1,0]=4 1431 B14R1.794 CSCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100011218213 [0,1,0,0,1,0|1,1,0]=4 1432 B14R1.794 CSCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100011218213 [0,1,0,0,1,0|1,1,0]=4 1433 B14R1.3329 CC=Cc1cc(c(cc1C)O)C(=O)C 271570a_100016259895_200010233951 [0,1,0,0,1,0|1,0,1]=4 1434 B14R1.3329 CC=Cc1cc(c(cc1F)O)C(=O)C 271570a_100016259895_100000691652 [0,1,0,0,1,0|1,0,1]=4 1435 B14R1.3329 CCSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_100000210202 [0,1,0,0,1,0|2,0,0]=4 1436 B14R1.3329 CCSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_100000210202 [0,1,0,0,1,0|2,0,0]=4 1437 B14R1.6794 CC=Cc1ccc(c(c1)C(=O)C)OC 271570a_100016259895_100000173343 [0,1,0,0,1,0|1,0,1]=4 1438 B14R1.6794 CCCc1ccc(c(c1)C(=O)C)OC 34a_200011698639_200000210301 [0,1,0,0,1,0|1,0,0]=3 1439 B14R1.6794 CCCc1ccc(c(c1)C(=O)C)OC 7a_200011698639_200000210301 [0,1,0,0,1,0|1,0,0]=3 1440 B14R1.6794 CCCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_200011698639_200025704644 [0,1,0,0,1,0|1,0,0]=3 1441 B14R1.6794 CCCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_200011698639_200025704644 [0,1,0,0,1,0|1,0,0]=3 1442 B14R1.6794 CCOc1ccc(c(c1)C(=O)C)OC 34a_100000081070_100000210202 [0,1,0,0,1,0|2,0,0]=4 1443 B14R1.6794 CCOc1ccc(c(c1)C(=O)C)OC 7a_100000081070_100000210202 [0,1,0,0,1,0|2,0,0]=4 1444 B14R1.6794 CCSc1ccc(c(c1)C(=O)C)OC 62a_100000173343_100000210202 [0,1,0,0,1,0|2,0,0]=4 1445 B14R1.6794 COCc1ccc(c(c1)[N+](=O)[O-])OC 34a_100011218723_200000210301 [0,1,0,0,1,0|2,0,0]=4 1446 B14R1.6794 COCc1ccc(c(c1)[N+](=O)[O-])OC 34a_100138415774_100000737651 [0,1,0,0,1,0|2,0,0]=4 1447 B14R1.6794 COCc1ccc(c(c1)[N+](=O)[O-])OC 7a_100011218723_200000210301 [0,1,0,0,1,0|2,0,0]=4 1448 B14R1.6794 COc1ccc(cc1[N+](=O)[O-])CO[13CH3] 34a_100011218723_200025704644 [0,1,0,0,1,0|2,0,0]=4 1449 B14R1.6794 COc1ccc(cc1[N+](=O)[O-])CO[13CH3] 7a_100011218723_200025704644 [0,1,0,0,1,0|2,0,0]=4 1450 B16R1.13503 CCC(=O)CSc1cc(ccc1C)COC 62a_100000747405_200015395492 [0,1,0,0,0,1|2,0,0]=4 1451 B16R1.13503 CCC(=O)CSc1cc(ccc1C)COC 62a_200015395492_100000747405 [0,1,0,0,0,1|2,0,0]=4 1452 B16R1.13503 CCC(=O)CSc1cc(ccc1F)COC 62a_100000747405_200011493689 [0,1,0,0,0,1|2,0,0]=4 1453 B16R1.13503 CCC(=O)CSc1cc(ccc1F)COC 62a_200011493689_100000747405 [0,1,0,0,0,1|2,0,0]=4 1454 B16R1.13503 CNC(=O)CNc1cc(ccc1Br)COC 34a_200013033220_100000183359 [0,1,0,0,0,1|1,0,0]=3 1455 B16R1.13503 CNC(=O)CSc1cc(ccc1C)COC 62a_100000183359_200015395492 [0,1,0,0,0,1|2,0,0]=4 1456 B16R1.13503 CNC(=O)CSc1cc(ccc1C)COC 62a_200015395492_100000183359 [0,1,0,0,0,1|2,0,0]=4 1457 B16R1.13503 CNC(=O)CSc1cc(ccc1F)COC 62a_100000183359_200011493689 [0,1,0,0,0,1|2,0,0]=4 1458 B16R1.13503 CNC(=O)CSc1cc(ccc1F)COC 62a_200011493689_100000183359 [0,1,0,0,0,1|2,0,0]=4 1459 B16R1.13503 COCc1ccc(c(c1)NCC(=O)OC)Br 34a_200013033220_100000747449 [0,1,0,0,0,1|1,0,0]=3 1460 B16R1.13503 COCc1ccc(c(c1)SCC(=O)OC)C 62a_100000747449_200015395492 [0,1,0,0,0,1|2,0,0]=4 1461 B16R1.13503 COCc1ccc(c(c1)SCC(=O)OC)C 62a_200015395492_100000747449 [0,1,0,0,0,1|2,0,0]=4 1462 B16R1.13503 COCc1ccc(c(c1)SCC(=O)OC)F 62a_100000747449_200011493689 [0,1,0,0,0,1|2,0,0]=4 1463 B16R1.13503 COCc1ccc(c(c1)SCC(=O)OC)F 62a_200011493689_100000747449 [0,1,0,0,0,1|2,0,0]=4 1464 B16R1.13505 CNCc1ccc(c(c1)COC(=O)C)OC 270004a_106832991635_100000028344 [0,1,0,0,0,1|2,0,0]=4 1465 B16R1.13526 C=C(C)C(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000185857 [0,1,0,0,0,1|2,0,0]=4 1466 B16R1.13526 C=C(C)C(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000185857 [0,1,0,0,0,1|2,0,0]=4 1467 B16R1.13526 COCc1ccc(c(c1)NC(C)C(=O)N)Br 34a_200013033220_100000702099 [0,1,0,0,0,1|2,0,0]=4 1468 B16R1.13526 COCc1ccc(c(c1)NC(F)C(=O)N)Br 34a_200013033220_100009813875 [0,1,0,0,0,1|2,0,0]=4 1469 B16R1.13526 COCc1ccc(c(c1)NC(F)C(=O)[O-])Br 34a_200013033220_100020610796 [0,1,0,0,0,1|2,0,0]=4 1470 B16R1.13526 COCc1ccc(c(c1)SC(C)C(=O)C)C 62a_100009814033_200015395492 [0,1,0,0,0,1|2,0,0]=4 1471 B16R1.13526 COCc1ccc(c(c1)SC(C)C(=O)C)C 62a_200015395492_100009814033 [0,1,0,0,0,1|2,0,0]=4 1472 B16R1.13526 COCc1ccc(c(c1)SC(C)C(=O)C)F 62a_100009814033_200011493689 [0,1,0,0,0,1|2,0,0]=4 1473 B16R1.13526 COCc1ccc(c(c1)SC(C)C(=O)C)F 62a_200011493689_100009814033 [0,1,0,0,0,1|2,0,0]=4 1474 B16R1.1044 CC(=O)Nc1cc(ccc1O)C(=O)N(C)C 240690a_100102631434_100011219828 [0,2,0,0,0,0|1,0,1]=4 1475 B16R1.4315 COc1ccc(cc1NC(=O)C)C=C(C)C 271570a_100102525489_200011407902 [0,2,0,0,0,0|1,0,1]=4 1476 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(=O)C 11a_100000211725_100015343762 [0,2,0,0,0,0|2,0,0]=4 1477 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(=O)C 11a_100000736378_100015343762 [0,2,0,0,0,0|2,0,0]=4 1478 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(=O)C 1626a_100000211725_100015343762 [0,2,0,0,0,0|2,0,0]=4 1479 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(=O)C 1626a_100000736378_100015343762 [0,2,0,0,0,0|2,0,0]=4 1480 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(=O)C 22a_100000211725_100000070787 [0,2,0,0,0,0|2,0,0]=4 1481 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(=O)C 22a_100000736378_100000070787 [0,2,0,0,0,0|2,0,0]=4 1482 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(=O)C 527a_100000211725_100103153847 [0,2,0,0,0,0|2,0,0]=4 1483 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(=O)C 527a_100000736378_100103153847 [0,2,0,0,0,0|2,0,0]=4 1484 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(C)C 34a_100000736378_100000210206 [0,2,0,0,0,0|2,0,0]=4 1485 B16R1.4315 COc1ccc(cc1NC(=O)C)NC(C)C 7a_100000736378_100000210206 [0,2,0,0,0,0|2,0,0]=4 1486 B16R1.4315 COc1ccc(cc1NC(=O)C)SC(C)C 62a_100000210206_200011407902 [0,2,0,0,0,0|2,0,0]=4 1487 B16R1.4315 COc1ccc(cc1OC(=O)C)CN(C)C 270004a_100102631434_100000014717 [0,2,0,0,0,0|2,0,0]=4 1488 B16R1.4420 C#CC(C)Nc1ccc(c(c1)NC(=O)C)O 34a_100000070259_200000035995 [0,2,0,0,0,0|1,0,1]=4 1489 B16R1.4420 CC(=O)Nc1cc(ccc1O)NC(=O)CO 22a_100000070259_100000210174 [0,2,0,0,0,0|2,0,0]=4 1490 B16R1.4420 CC(=O)Nc1cc(ccc1O)NC(=O)CO 527a_100000070259_100000210174 [0,2,0,0,0,0|2,0,0]=4 1491 B16R1.4420 CC(=O)Nc1cc(ccc1O)NC(C)C#N 7a_100000070259_100000703298 [0,2,0,0,0,0|2,0,0]=4 1492 B16R1.4420 CC(=O)Nc1cc(ccc1O)NC(C)CO 34a_100000070259_100012180447 [0,2,0,0,0,0|2,0,0]=4 1493 B16R1.4420 CC(=O)Nc1cc(ccc1O)NC(C)CO 7a_100000070259_100012180447 [0,2,0,0,0,0|2,0,0]=4 1494 B16R1.4420 CCC(=O)Nc1ccc(c(c1)NC(=O)C)O 22a_100000070259_100000210414 [0,2,0,0,0,0|1,0,1]=4 1495 B16R1.4420 CCC(=O)Nc1ccc(c(c1)NC(=O)C)O 527a_100000070259_100000210414 [0,2,0,0,0,0|1,0,1]=4 1496 B16R1.4420 CCC(C)Nc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100011215416 [0,2,0,0,0,0|2,0,0]=4 1497 B16R1.4420 CCC(C)Nc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000758301 [0,2,0,0,0,0|2,0,0]=4 1498 B16R1.4420 CCC(C)Nc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100011215416 [0,2,0,0,0,0|2,0,0]=4 1499 B16R1.4420 CCC(C)Nc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000758301 [0,2,0,0,0,0|2,0,0]=4 1500 B16R1.4420 CCC(C)Nc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100011215416 [0,2,0,0,0,0|2,0,0]=4 1501 B16R1.4420 CCC(C)Nc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000758301 [0,2,0,0,0,0|2,0,0]=4 1502 B16R1.4420 CCC(C)Nc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100011215416 [0,2,0,0,0,0|1,0,0]=3 1503 B16R1.4420 CCC(C)Nc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000758301 [0,2,0,0,0,0|1,0,0]=3 1504 B16R1.4420 CCC(C)Sc1ccc(c(c1)CC(=O)C)O 62a_100000758301_200010006938 [0,2,0,0,0,0|2,0,0]=4 1505 B16R1.4420 CCC(C)Sc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000758301 [0,2,0,0,0,0|2,0,0]=4 1506 B16R1.4420 CCC(C)Sc1ccc(c(c1)NC(=O)C)C 62a_100000758301_100011344836 [0,2,0,0,0,0|2,0,0]=4 1507 B16R1.4420 CCC(C)Sc1ccc(c(c1)NC(=O)C)F 62a_100000758301_200011951791 [0,2,0,0,0,0|2,0,0]=4 1508 B16R1.4420 CNC(=O)Nc1ccc(c(c1)NC(=O)C)O 2430a_100000070259_100102657272 [0,2,0,0,0,0|1,0,1]=4 1509 B16R1.4420 COC(=O)Cc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100010222482 [0,2,0,0,0,0|2,0,0]=4 1510 B16R1.4420 COC(=O)Cc1ccc(c(c1)NC(=O)C)Cl 188690a_100009845532_100015343762 [0,2,0,0,0,0|1,0,0]=3 1511 B16R1.4420 COC(=O)Cc1ccc(c(c1)NC(=O)C)O 188690a_100000067991_100015343762 [0,2,0,0,0,0|0,0,0]=2 1512 B16R1.4420 COC(C)Sc1ccc(c(c1)CC(=O)C)O 62a_100009879195_200010006938 [0,2,0,0,0,0|1,0,0]=3 1513 B16R1.4420 COC(C)Sc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100009879195 [0,2,0,0,0,0|1,0,0]=3 1514 B16R1.4420 COC(C)Sc1ccc(c(c1)NC(=O)C)C 62a_100009879195_100011344836 [0,2,0,0,0,0|1,0,0]=3 1515 B16R1.4420 COC(C)Sc1ccc(c(c1)NC(=O)C)F 62a_100009879195_200011951791 [0,2,0,0,0,0|1,0,0]=3 1516 B16R1.4420 COC(C)Sc1ccc(c(c1)OC(=O)C)C 62a_100009879195_100103282185 [0,2,0,0,0,0|2,0,0]=4 1517 B16R1.4420 COC(C)Sc1ccc(c(c1)OC(=O)C)C 62a_100103282185_100009879195 [0,2,0,0,0,0|2,0,0]=4 1518 B16R1.4420 COC(C)Sc1cnc(c(c1)NC(=O)C)C 62a_100009879195_100010117071 [0,2,0,0,0,0|2,0,0]=4 1519 B16R1.4420 COC(C)Sc1cnc(c(c1)NC(=O)C)C 62a_100010117071_100009879195 [0,2,0,0,0,0|2,0,0]=4 1520 B16R1.16543 CC(=O)Nc1cc(ccc1O)CS(=O)(=O)N 11a_200010686696_100015343762 [0,2,0,0,0,0|1,1,0]=4 1521 B16R1.16543 CC(=O)Nc1cc(ccc1O)CS(=O)(=O)N 22a_200010686696_100000070787 [0,2,0,0,0,0|1,1,0]=4 1522 B16R1.16543 CC(=O)Nc1cc(ccc1O)NC(C)(C)C 34a_100000070259_100000210625 [0,2,0,0,0,0|2,0,0]=4 1523 B16R1.16543 CC(=O)Nc1cc(ccc1O)NS(=O)(=O)C 40a_100000070259_100000738038 [0,2,0,0,0,0|1,1,0]=4 1524 B16R1.379 CCC(C)(C)c1ccc(c(c1)NC(=O)C)O 1626a_100011217233_100015343762 [0,2,0,0,0,0|1,0,0]=3 1525 B16R1.379 CCC(C)(C)c1ccc(c(c1)NC(=O)C)O 22a_100011217233_100000070787 [0,2,0,0,0,0|1,0,0]=3 1526 B16R1.379 CCC(C)(C)c1ccc(c(c1)NC(=O)C)O 527a_100011217233_100103153847 [0,2,0,0,0,0|1,0,0]=3 1527 B16R1.379 CCS(=O)(=O)c1ccc(c(c1)NC(=O)C)O 22a_100000210498_100000070787 [0,2,0,0,0,0|2,0,0]=4 1528 B16R1.379 CCS(=O)(=O)c1ccc(c(c1)NC(=O)C)O 527a_100000210498_100103153847 [0,2,0,0,0,0|2,0,0]=4 1529 B16R1.379 CNS(=O)(=O)c1ccc(c(c1)NC(=O)C)O 22a_100000732981_100000070787 [0,2,0,0,0,0|2,0,0]=4 1530 B16R1.379 CNS(=O)(=O)c1ccc(c(c1)NC(=O)C)O 527a_100000732981_100103153847 [0,2,0,0,0,0|2,0,0]=4 1531 B16R1.966 CCCC(=O)c1ccc(c(c1)NC(=O)C)C 1458a_100000194935_100000210303 [0,2,0,0,0,0|2,0,0]=4 1532 B16R1.966 CCCC(=O)c1ccc(c(c1)NC(=O)C)F 1458a_100000744603_100000210303 [0,2,0,0,0,0|2,0,0]=4 1533 B16R1.966 CCNC(=O)c1ccc(c(c1)NC(=O)C)O 240690a_100015525214_100011219828 [0,2,0,0,0,0|1,0,1]=4 1534 B16R1.966 CCOC(=O)c1ccc(c(c1)NC(=O)C)Br 188690a_200011450955_100015343762 [0,2,0,0,0,0|1,0,1]=4 1535 B16R1.966 CCOC(=O)c1ccc(c(c1)NC(=O)C)C 188690a_100000246206_100015343762 [0,2,0,0,0,0|1,0,1]=4 1536 B16R1.966 CCOC(=O)c1ccc(c(c1)NC(=O)C)F 188690a_100011356284_100015343762 [0,2,0,0,0,0|1,0,1]=4 1537 B16R1.966 CCOC(=O)c1ccc(c(c1)NC(=O)C)O 188690a_100011450745_100015343762 [0,2,0,0,0,0|0,0,1]=3 1538 B16R1.4312 CNC(=O)c1ccc(c(c1)NC(=O)C)OC 11a_100000740754_100015343762 [0,2,0,0,0,0|1,0,1]=4 1539 B16R1.4312 CNC(=O)c1ccc(c(c1)NC(=O)C)OC 1626a_100000740754_100015343762 [0,2,0,0,0,0|1,0,1]=4 1540 B16R1.4312 CNC(=O)c1ccc(c(c1)NC(=O)C)OC 22a_100000740754_100000070787 [0,2,0,0,0,0|1,0,1]=4 1541 B16R1.4312 CNC(C)c1ccc(c(c1)NC(=O)C)OC 269862a_106832991636_100000058992 [0,2,0,0,0,0|1,0,0]=3 1542 B16R1.4312 COC(=O)c1ccc(c(c1)CC(=O)C)OC 1458a_100000070787_200010762020 [0,2,0,0,0,0|1,0,1]=4 1543 B16R1.4312 COC(=O)c1ccc(c(c1)NC(=O)C)OC 188690a_100011217029_100015343762 [0,2,0,0,0,0|0,0,1]=3 1544 B16R1.4312 COC(=O)c1cnc(c(c1)NC(=O)C)OC 188690a_100009959742_100015343762 [0,2,0,0,0,0|1,0,1]=4 1545 B16R1.4375 CCC(=O)Nc1cc(ccc1Br)C(=O)OC 188690a_100011450966_100000210414 [0,2,0,0,0,0|1,0,1]=4 1546 B16R1.4375 CCC(=O)Nc1cc(ccc1C)C(=O)OC 188690a_100000742527_100000210414 [0,2,0,0,0,0|1,0,1]=4 1547 B16R1.4375 CCC(=O)Nc1cc(ccc1F)C(=O)OC 188690a_100000735820_100000210414 [0,2,0,0,0,0|1,0,1]=4 1548 B16R1.4375 CCC(=O)Nc1cc(ccc1O)C(=O)OC 188690a_100000724433_100000210414 [0,2,0,0,0,0|0,0,1]=3 1549 B16R1.4375 COC(=O)c1ccc(c(c1)NC(=O)CO)Br 188690a_100011450966_100000210174 [0,2,0,0,0,0|1,0,1]=4 1550 B16R1.4375 COC(=O)c1ccc(c(c1)NC(=O)CO)C 188690a_100000742527_100000210174 [0,2,0,0,0,0|1,0,1]=4 1551 B16R1.4375 COC(=O)c1ccc(c(c1)NC(=O)CO)F 188690a_100000735820_100000210174 [0,2,0,0,0,0|1,0,1]=4 1552 B16R1.4375 COC(=O)c1ccc(c(c1)NC(=O)CO)O 188690a_100000724433_100000210174 [0,2,0,0,0,0|0,0,1]=3 1553 B16R1.17267 COC(=O)c1cc(c(cc1Br)C)NC(=O)C 188690a_100000730709_100015343762 [0,2,0,0,0,0|1,0,1]=4 1554 B16R1.17267 COC(=O)c1cc(c(cc1C)C)NC(=O)C 188690a_100000717011_100015343762 [0,2,0,0,0,0|1,0,1]=4 1555 B16R1.17267 COC(=O)c1cc(c(cc1Cl)Br)NC(=O)C 188690a_100011794319_100015343762 [0,2,0,0,0,0|1,0,1]=4 1556 B16R1.17267 COC(=O)c1cc(c(cc1Cl)F)NC(=O)C 188690a_100011794259_100015343762 [0,2,0,0,0,0|1,0,1]=4 1557 B16R1.17267 COC(=O)c1cc(c(cc1F)Br)NC(=O)C 188690a_100000760059_100015343762 [0,2,0,0,0,0|1,0,1]=4 1558 B16R1.17267 COC(=O)c1cc(c(cc1F)C)NC(=O)C 188690a_100012720804_100015343762 [0,2,0,0,0,0|1,0,1]=4 1559 B16R1.17267 COC(=O)c1cc(c(cc1F)F)NC(=O)C 188690a_100000735891_100015343762 [0,2,0,0,0,0|1,0,1]=4 1560 B16R1.17267 COC(=O)c1cc(c(cc1O)O)NC(=O)C 188690a_200011155615_100015343762 [0,2,0,0,0,0|0,0,1]=3 1561 B16R1.76827 COC(=O)c1ccc(c(c1C)NC(=O)C)C 188690a_100010688716_100015343762 [0,2,0,0,0,0|1,0,1]=4 1562 B16R1.76827 COC(=O)c1ccc(c(c1C)NC(=O)C)F 188690a_100010588117_100015343762 [0,2,0,0,0,0|1,0,1]=4 1563 B16R1.76827 COC(=O)c1ccc(c(c1Cl)NC(=O)C)C 188690a_100009984613_100015343762 [0,2,0,0,0,0|1,0,1]=4 1564 B16R1.94469 COC(=O)c1cc(c(c(c1)NC(=O)C)C)Br 188690a_100012353609_100015343762 [0,2,0,0,0,0|1,0,1]=4 1565 B16R1.94469 COC(=O)c1cc(c(c(c1)NC(=O)C)F)Br 188690a_200010713629_100015343762 [0,2,0,0,0,0|1,0,1]=4 1566 B16R1.94469 COC(=O)c1cc(c(c(c1)NC(=O)C)O)Cl 188690a_100010571316_100015343762 [0,2,0,0,0,0|0,0,1]=3 1567 B16R1.1045 C=C(C)CNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000748629 [0,2,0,0,0,0|2,0,0]=4 1568 B16R1.1045 C=C(C)CNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000748629 [0,2,0,0,0,0|2,0,0]=4 1569 B16R1.1045 C=C(C)CNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000748629 [0,2,0,0,0,0|2,0,0]=4 1570 B16R1.1045 C=C(C)CNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000748629 [0,2,0,0,0,0|2,0,0]=4 1571 B16R1.1045 C=C(C)CNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000748629 [0,2,0,0,0,0|2,0,0]=4 1572 B16R1.1045 C=C(C)CNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000748629 [0,2,0,0,0,0|2,0,0]=4 1573 B16R1.1045 C=C(C)CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000748629 [0,2,0,0,0,0|1,0,0]=3 1574 B16R1.1045 C=C(C)CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000748629 [0,2,0,0,0,0|1,0,0]=3 1575 B16R1.1045 C=C(C)CSc1ccc(c(c1)CC(=O)C)O 62a_100000748629_200010006938 [0,2,0,0,0,0|2,0,0]=4 1576 B16R1.1045 C=C(C)CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000211660 [0,2,0,0,0,0|2,0,0]=4 1577 B16R1.1045 C=C(C)CSc1ccc(c(c1)NC(=O)C)C 62a_100000748629_100011344836 [0,2,0,0,0,0|2,0,0]=4 1578 B16R1.1045 C=C(C)CSc1ccc(c(c1)NC(=O)C)F 62a_100000748629_200011951791 [0,2,0,0,0,0|2,0,0]=4 1579 B16R1.1045 C=C(F)CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100009893438 [0,2,0,0,0,0|1,0,1]=4 1580 B16R1.1045 C=C(F)CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000042424 [0,2,0,0,0,0|1,0,1]=4 1581 B16R1.1045 CC(=O)Cc1cc(ccc1O)SCC(C)C 62a_100000210624_200010006938 [0,2,0,0,0,0|2,0,0]=4 1582 B16R1.1045 CC(=O)Cc1cc(ccc1O)SCC(C)C 62a_200010006938_100000210760 [0,2,0,0,0,0|2,0,0]=4 1583 B16R1.1045 CC(=O)Cc1cc(ccc1O)SCC(C)O 62a_100011218427_200010006938 [0,2,0,0,0,0|2,0,0]=4 1584 B16R1.1045 CC(=O)Cc1cc(ccc1O)SCC(C)O 62a_200010006938_100011218427 [0,2,0,0,0,0|2,0,0]=4 1585 B16R1.1045 CC(=O)Cc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_200010006938 [0,2,0,0,0,0|2,0,0]=4 1586 B16R1.1045 CC(=O)Cc1cc(ccc1O)SC[C@@H](C)O 62a_200010006938_100009817552 [0,2,0,0,0,0|2,0,0]=4 1587 B16R1.1045 CC(=O)Nc1cc(ccc1C)NCC(C)C 34a_100000740626_100000210624 [0,2,0,0,0,0|2,0,0]=4 1588 B16R1.1045 CC(=O)Nc1cc(ccc1C)NCC(C)C 7a_100000740626_100000210760 [0,2,0,0,0,0|2,0,0]=4 1589 B16R1.1045 CC(=O)Nc1cc(ccc1C)NCC(C)O 34a_100000740626_100011218427 [0,2,0,0,0,0|2,0,0]=4 1590 B16R1.1045 CC(=O)Nc1cc(ccc1C)NCC(C)O 7a_100000740626_100011218427 [0,2,0,0,0,0|2,0,0]=4 1591 B16R1.1045 CC(=O)Nc1cc(ccc1C)NC[C@@H](C)O 34a_100000740626_100009817552 [0,2,0,0,0,0|2,0,0]=4 1592 B16R1.1045 CC(=O)Nc1cc(ccc1C)NC[C@@H](C)O 7a_100000740626_100009817552 [0,2,0,0,0,0|2,0,0]=4 1593 B16R1.1045 CC(=O)Nc1cc(ccc1C)SCC(C)C 62a_100000210624_100011344836 [0,2,0,0,0,0|2,0,0]=4 1594 B16R1.1045 CC(=O)Nc1cc(ccc1C)SCC(C)O 62a_100011218427_100011344836 [0,2,0,0,0,0|2,0,0]=4 1595 B16R1.1045 CC(=O)Nc1cc(ccc1C)SC[C@@H](C)O 62a_100009817552_100011344836 [0,2,0,0,0,0|2,0,0]=4 1596 B16R1.1045 CC(=O)Nc1cc(ccc1Cl)NCC(C)C 34a_100000745429_100000210624 [0,2,0,0,0,0|2,0,0]=4 1597 B16R1.1045 CC(=O)Nc1cc(ccc1Cl)NCC(C)C 7a_100000745429_100000210760 [0,2,0,0,0,0|2,0,0]=4 1598 B16R1.1045 CC(=O)Nc1cc(ccc1Cl)NCC(C)O 34a_100000745429_100011218427 [0,2,0,0,0,0|2,0,0]=4 1599 B16R1.1045 CC(=O)Nc1cc(ccc1Cl)NCC(C)O 7a_100000745429_100011218427 [0,2,0,0,0,0|2,0,0]=4 1600 B16R1.1045 CC(=O)Nc1cc(ccc1Cl)NC[C@@H](C)O 34a_100000745429_100009817552 [0,2,0,0,0,0|2,0,0]=4 1601 B16R1.1045 CC(=O)Nc1cc(ccc1Cl)NC[C@@H](C)O 7a_100000745429_100009817552 [0,2,0,0,0,0|2,0,0]=4 1602 B16R1.1045 CC(=O)Nc1cc(ccc1F)NCC(C)C 34a_100000736141_100000210624 [0,2,0,0,0,0|2,0,0]=4 1603 B16R1.1045 CC(=O)Nc1cc(ccc1F)NCC(C)C 7a_100000736141_100000210760 [0,2,0,0,0,0|2,0,0]=4 1604 B16R1.1045 CC(=O)Nc1cc(ccc1F)NCC(C)O 34a_100000736141_100011218427 [0,2,0,0,0,0|2,0,0]=4 1605 B16R1.1045 CC(=O)Nc1cc(ccc1F)NCC(C)O 7a_100000736141_100011218427 [0,2,0,0,0,0|2,0,0]=4 1606 B16R1.1045 CC(=O)Nc1cc(ccc1F)NC[C@@H](C)O 34a_100000736141_100009817552 [0,2,0,0,0,0|2,0,0]=4 1607 B16R1.1045 CC(=O)Nc1cc(ccc1F)NC[C@@H](C)O 7a_100000736141_100009817552 [0,2,0,0,0,0|2,0,0]=4 1608 B16R1.1045 CC(=O)Nc1cc(ccc1F)SCC(C)C 62a_100000210624_200011951791 [0,2,0,0,0,0|2,0,0]=4 1609 B16R1.1045 CC(=O)Nc1cc(ccc1F)SCC(C)O 62a_100011218427_200011951791 [0,2,0,0,0,0|2,0,0]=4 1610 B16R1.1045 CC(=O)Nc1cc(ccc1F)SC[C@@H](C)O 62a_100009817552_200011951791 [0,2,0,0,0,0|2,0,0]=4 1611 B16R1.1045 CC(=O)Nc1cc(ccc1O)NCC(=O)N 34a_100000070259_100000187820 [0,2,0,0,0,0|2,0,0]=4 1612 B16R1.1045 CC(=O)Nc1cc(ccc1O)NCC(=O)N 7a_100000070259_100000187820 [0,2,0,0,0,0|2,0,0]=4 1613 B16R1.1045 CC(=O)Nc1cc(ccc1O)NCC(=O)[O-] 34a_100000070259_100020667443 [0,2,0,0,0,0|2,0,0]=4 1614 B16R1.1045 CC(=O)Nc1cc(ccc1O)NCC(C)C 34a_100000070259_100000210624 [0,2,0,0,0,0|1,0,0]=3 1615 B16R1.1045 CC(=O)Nc1cc(ccc1O)NCC(C)C 7a_100000070259_100000210760 [0,2,0,0,0,0|1,0,0]=3 1616 B16R1.1045 CC(=O)Nc1cc(ccc1O)NCC(C)O 34a_100000070259_100011218427 [0,2,0,0,0,0|1,0,0]=3 1617 B16R1.1045 CC(=O)Nc1cc(ccc1O)NCC(C)O 7a_100000070259_100011218427 [0,2,0,0,0,0|1,0,0]=3 1618 B16R1.1045 CC(=O)Nc1cc(ccc1O)NCC(F)F 34a_100000070259_100011934356 [0,2,0,0,0,0|2,0,0]=4 1619 B16R1.1045 CC(=O)Nc1cc(ccc1O)NCC(F)F 7a_100000070259_100011934356 [0,2,0,0,0,0|2,0,0]=4 1620 B16R1.1045 CC(=O)Nc1cc(ccc1O)NC[C@@H](C)O 34a_100000070259_100009817552 [0,2,0,0,0,0|1,0,0]=3 1621 B16R1.1045 CC(=O)Nc1cc(ccc1O)NC[C@@H](C)O 7a_100000070259_100009817552 [0,2,0,0,0,0|1,0,0]=3 1622 B16R1.1045 CC(=O)Nc1cc(ccc1O)NC[N+](=O)[O-] 34a_100000070259_100000761209 [0,2,0,0,0,0|2,0,0]=4 1623 B16R1.1432 C#CCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000688953 [0,2,0,0,0,0|1,0,1]=4 1624 B16R1.1432 C#CCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000688953 [0,2,0,0,0,0|1,0,1]=4 1625 B16R1.1432 C/C=C/CNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100102629194 [0,2,0,0,0,0|2,0,0]=4 1626 B16R1.1432 C/C=C/CNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100102629194 [0,2,0,0,0,0|2,0,0]=4 1627 B16R1.1432 C/C=C/CNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100102629194 [0,2,0,0,0,0|2,0,0]=4 1628 B16R1.1432 C/C=C/CNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100102629194 [0,2,0,0,0,0|2,0,0]=4 1629 B16R1.1432 C/C=C/CNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100102629194 [0,2,0,0,0,0|2,0,0]=4 1630 B16R1.1432 C/C=C/CNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100102629194 [0,2,0,0,0,0|2,0,0]=4 1631 B16R1.1432 C/C=C/CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100102629194 [0,2,0,0,0,0|1,0,0]=3 1632 B16R1.1432 C/C=C/CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100102629194 [0,2,0,0,0,0|1,0,0]=3 1633 B16R1.1432 C/C=C/CSc1ccc(c(c1)CC(=O)C)O 62a_100102629194_200010006938 [0,2,0,0,0,0|2,0,0]=4 1634 B16R1.1432 C/C=C/CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100102629194 [0,2,0,0,0,0|2,0,0]=4 1635 B16R1.1432 C/C=C/CSc1ccc(c(c1)NC(=O)C)C 62a_100102629194_100011344836 [0,2,0,0,0,0|2,0,0]=4 1636 B16R1.1432 C/C=C/CSc1ccc(c(c1)NC(=O)C)F 62a_100102629194_200011951791 [0,2,0,0,0,0|2,0,0]=4 1637 B16R1.1432 C=CCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000754431 [0,2,0,0,0,0|1,0,1]=4 1638 B16R1.1432 C=CCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000754431 [0,2,0,0,0,0|1,0,1]=4 1639 B16R1.1432 CC#CCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000748600 [0,2,0,0,0,0|2,0,0]=4 1640 B16R1.1432 CC#CCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000748600 [0,2,0,0,0,0|2,0,0]=4 1641 B16R1.1432 CC#CCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000748600 [0,2,0,0,0,0|2,0,0]=4 1642 B16R1.1432 CC#CCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000748600 [0,2,0,0,0,0|2,0,0]=4 1643 B16R1.1432 CC#CCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000748600 [0,2,0,0,0,0|2,0,0]=4 1644 B16R1.1432 CC#CCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000748600 [0,2,0,0,0,0|2,0,0]=4 1645 B16R1.1432 CC#CCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000748600 [0,2,0,0,0,0|1,0,0]=3 1646 B16R1.1432 CC#CCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000748600 [0,2,0,0,0,0|1,0,0]=3 1647 B16R1.1432 CC#CCSc1ccc(c(c1)CC(=O)C)O 62a_100000748600_200010006938 [0,2,0,0,0,0|2,0,0]=4 1648 B16R1.1432 CC#CCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000748600 [0,2,0,0,0,0|2,0,0]=4 1649 B16R1.1432 CC#CCSc1ccc(c(c1)NC(=O)C)C 62a_100000748600_100011344836 [0,2,0,0,0,0|2,0,0]=4 1650 B16R1.1432 CC#CCSc1ccc(c(c1)NC(=O)C)F 62a_100000748600_200011951791 [0,2,0,0,0,0|2,0,0]=4 1651 B16R1.1432 CC(=O)Cc1cc(ccc1O)SCCCF 62a_100011934791_200010006938 [0,2,0,0,0,0|2,0,0]=4 1652 B16R1.1432 CC(=O)Cc1cc(ccc1O)SCCCF 62a_200010006938_100011934791 [0,2,0,0,0,0|2,0,0]=4 1653 B16R1.1432 CC(=O)Cc1cc(ccc1O)SCCCO 62a_100011215043_200010006938 [0,2,0,0,0,0|2,0,0]=4 1654 B16R1.1432 CC(=O)Cc1cc(ccc1O)SCCCO 62a_200010006938_100011215043 [0,2,0,0,0,0|2,0,0]=4 1655 B16R1.1432 CC(=O)Nc1cc(ccc1C)NCCCF 34a_100000740626_100011934791 [0,2,0,0,0,0|2,0,0]=4 1656 B16R1.1432 CC(=O)Nc1cc(ccc1C)NCCCF 7a_100000740626_100011934791 [0,2,0,0,0,0|2,0,0]=4 1657 B16R1.1432 CC(=O)Nc1cc(ccc1C)NCCCO 34a_100000740626_100000230001 [0,2,0,0,0,0|2,0,0]=4 1658 B16R1.1432 CC(=O)Nc1cc(ccc1C)NCCCO 7a_100000740626_100011215043 [0,2,0,0,0,0|2,0,0]=4 1659 B16R1.1432 CC(=O)Nc1cc(ccc1C)SCCCF 62a_100011934791_100011344836 [0,2,0,0,0,0|2,0,0]=4 1660 B16R1.1432 CC(=O)Nc1cc(ccc1C)SCCCO 62a_100011215043_100011344836 [0,2,0,0,0,0|2,0,0]=4 1661 B16R1.1432 CC(=O)Nc1cc(ccc1Cl)NCCCF 34a_100000745429_100011934791 [0,2,0,0,0,0|2,0,0]=4 1662 B16R1.1432 CC(=O)Nc1cc(ccc1Cl)NCCCF 7a_100000745429_100011934791 [0,2,0,0,0,0|2,0,0]=4 1663 B16R1.1432 CC(=O)Nc1cc(ccc1Cl)NCCCO 34a_100000745429_100000230001 [0,2,0,0,0,0|2,0,0]=4 1664 B16R1.1432 CC(=O)Nc1cc(ccc1Cl)NCCCO 7a_100000745429_100011215043 [0,2,0,0,0,0|2,0,0]=4 1665 B16R1.1432 CC(=O)Nc1cc(ccc1F)NCCCF 34a_100000736141_100011934791 [0,2,0,0,0,0|2,0,0]=4 1666 B16R1.1432 CC(=O)Nc1cc(ccc1F)NCCCF 7a_100000736141_100011934791 [0,2,0,0,0,0|2,0,0]=4 1667 B16R1.1432 CC(=O)Nc1cc(ccc1F)NCCCO 34a_100000736141_100000230001 [0,2,0,0,0,0|2,0,0]=4 1668 B16R1.1432 CC(=O)Nc1cc(ccc1F)NCCCO 7a_100000736141_100011215043 [0,2,0,0,0,0|2,0,0]=4 1669 B16R1.1432 CC(=O)Nc1cc(ccc1F)SCCCF 62a_100011934791_200011951791 [0,2,0,0,0,0|2,0,0]=4 1670 B16R1.1432 CC(=O)Nc1cc(ccc1F)SCCCO 62a_100011215043_200011951791 [0,2,0,0,0,0|2,0,0]=4 1671 B16R1.1432 CC(=O)Nc1cc(ccc1O)NCCC#N 7a_100000070259_100000184422 [0,2,0,0,0,0|1,0,1]=4 1672 B16R1.1432 CC(=O)Nc1cc(ccc1O)NCCCF 34a_100000070259_100011934791 [0,2,0,0,0,0|1,0,0]=3 1673 B16R1.1432 CC(=O)Nc1cc(ccc1O)NCCCF 7a_100000070259_100011934791 [0,2,0,0,0,0|1,0,0]=3 1674 B16R1.1432 CC(=O)Nc1cc(ccc1O)NCCCO 34a_100000070259_100000230001 [0,2,0,0,0,0|1,0,0]=3 1675 B16R1.1432 CC(=O)Nc1cc(ccc1O)NCCCO 7a_100000070259_100011215043 [0,2,0,0,0,0|1,0,0]=3 1676 B16R1.1432 CC=CCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000070051 [0,2,0,0,0,0|2,0,0]=4 1677 B16R1.1432 CC=CCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000070051 [0,2,0,0,0,0|2,0,0]=4 1678 B16R1.1432 CC=CCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000070051 [0,2,0,0,0,0|2,0,0]=4 1679 B16R1.1432 CC=CCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000070051 [0,2,0,0,0,0|2,0,0]=4 1680 B16R1.1432 CC=CCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000070051 [0,2,0,0,0,0|2,0,0]=4 1681 B16R1.1432 CC=CCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000070051 [0,2,0,0,0,0|2,0,0]=4 1682 B16R1.1432 CC=CCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000070051 [0,2,0,0,0,0|1,0,0]=3 1683 B16R1.1432 CC=CCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000070051 [0,2,0,0,0,0|1,0,0]=3 1684 B16R1.1432 CC=CCSc1ccc(c(c1)CC(=O)C)O 62a_100000070051_200010006938 [0,2,0,0,0,0|2,0,0]=4 1685 B16R1.1432 CC=CCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000070051 [0,2,0,0,0,0|2,0,0]=4 1686 B16R1.1432 CC=CCSc1ccc(c(c1)NC(=O)C)C 62a_100000070051_100011344836 [0,2,0,0,0,0|2,0,0]=4 1687 B16R1.1432 CC=CCSc1ccc(c(c1)NC(=O)C)F 62a_100000070051_200011951791 [0,2,0,0,0,0|2,0,0]=4 1688 B16R1.1432 CCCC=Cc1ccc(c(c1)CC(=O)C)O 271570a_100016258520_200010006938 [0,2,0,0,0,0|2,0,0]=4 1689 B16R1.1432 CCCC=Cc1ccc(c(c1)NC(=O)C)C 271570a_100016258520_100011344836 [0,2,0,0,0,0|2,0,0]=4 1690 B16R1.1432 CCCC=Cc1ccc(c(c1)NC(=O)C)F 271570a_100016258520_200011951791 [0,2,0,0,0,0|2,0,0]=4 1691 B16R1.1432 CCCCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000210210 [0,2,0,0,0,0|2,0,0]=4 1692 B16R1.1432 CCCCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000210211 [0,2,0,0,0,0|2,0,0]=4 1693 B16R1.1432 CCCCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000210210 [0,2,0,0,0,0|2,0,0]=4 1694 B16R1.1432 CCCCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000210211 [0,2,0,0,0,0|2,0,0]=4 1695 B16R1.1432 CCCCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000210210 [0,2,0,0,0,0|2,0,0]=4 1696 B16R1.1432 CCCCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000210211 [0,2,0,0,0,0|2,0,0]=4 1697 B16R1.1432 CCCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000210210 [0,2,0,0,0,0|1,0,0]=3 1698 B16R1.1432 CCCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000210211 [0,2,0,0,0,0|1,0,0]=3 1699 B16R1.1432 CCCCSc1ccc(c(c1)CC(=O)C)O 62a_100000210211_200010006938 [0,2,0,0,0,0|2,0,0]=4 1700 B16R1.1432 CCCCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000210210 [0,2,0,0,0,0|2,0,0]=4 1701 B16R1.1432 CCCCSc1ccc(c(c1)NC(=O)C)C 62a_100000210211_100011344836 [0,2,0,0,0,0|2,0,0]=4 1702 B16R1.1432 CCCCSc1ccc(c(c1)NC(=O)C)F 62a_100000210211_200011951791 [0,2,0,0,0,0|2,0,0]=4 1703 B16R1.1432 CCOC=Cc1ccc(c(c1)CC(=O)C)O 271570a_100016256518_200010006938 [0,2,0,0,0,0|1,0,1]=4 1704 B16R1.1432 CCOC=Cc1ccc(c(c1)NC(=O)C)C 271570a_100016256518_100011344836 [0,2,0,0,0,0|1,0,1]=4 1705 B16R1.1432 CCOC=Cc1ccc(c(c1)NC(=O)C)F 271570a_100016256518_200011951791 [0,2,0,0,0,0|1,0,1]=4 1706 B16R1.1432 CCOCSc1ccc(c(c1)CC(=O)C)O 62a_100000739092_200010006938 [0,2,0,0,0,0|1,0,0]=3 1707 B16R1.1432 CCOCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000739092 [0,2,0,0,0,0|1,0,0]=3 1708 B16R1.1432 CCOCSc1ccc(c(c1)NC(=O)C)C 62a_100000739092_100011344836 [0,2,0,0,0,0|1,0,0]=3 1709 B16R1.1432 CCOCSc1ccc(c(c1)NC(=O)C)F 62a_100000739092_200011951791 [0,2,0,0,0,0|1,0,0]=3 1710 B16R1.1432 CCOCSc1ccc(c(c1)OC(=O)C)C 62a_100000739092_100103282185 [0,2,0,0,0,0|2,0,0]=4 1711 B16R1.1432 CCOCSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_100000739092 [0,2,0,0,0,0|2,0,0]=4 1712 B16R1.1432 CCOCSc1cnc(c(c1)NC(=O)C)C 62a_100000739092_100010117071 [0,2,0,0,0,0|2,0,0]=4 1713 B16R1.1432 CCOCSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_100000739092 [0,2,0,0,0,0|2,0,0]=4 1714 B16R1.1432 COCC=Cc1ccc(c(c1)CC(=O)C)O 271570a_100016286323_200010006938 [0,2,0,0,0,0|1,0,0]=3 1715 B16R1.1432 COCC=Cc1ccc(c(c1)NC(=O)C)C 271570a_100016286323_100011344836 [0,2,0,0,0,0|1,0,0]=3 1716 B16R1.1432 COCC=Cc1ccc(c(c1)NC(=O)C)F 271570a_100016286323_200011951791 [0,2,0,0,0,0|1,0,0]=3 1717 B16R1.1432 COCC=Cc1ccc(c(c1)OC(=O)C)C 271570a_100016286323_100103282185 [0,2,0,0,0,0|2,0,0]=4 1718 B16R1.1432 COCC=Cc1cnc(c(c1)NC(=O)C)C 271570a_100016286323_100010117071 [0,2,0,0,0,0|2,0,0]=4 1719 B16R1.1432 COCCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100011201679 [0,2,0,0,0,0|1,0,0]=3 1720 B16R1.1432 COCCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000233755 [0,2,0,0,0,0|1,0,0]=3 1721 B16R1.1432 COCCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100011201679 [0,2,0,0,0,0|1,0,0]=3 1722 B16R1.1432 COCCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000233755 [0,2,0,0,0,0|1,0,0]=3 1723 B16R1.1432 COCCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100011201679 [0,2,0,0,0,0|1,0,0]=3 1724 B16R1.1432 COCCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000233755 [0,2,0,0,0,0|1,0,0]=3 1725 B16R1.1432 COCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100011201679 [0,2,0,0,0,0|0,0,0]=2 1726 B16R1.1432 COCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000233755 [0,2,0,0,0,0|0,0,0]=2 1727 B16R1.1432 COCCSc1ccc(c(c1)CC(=O)C)O 62a_100000233755_200010006938 [0,2,0,0,0,0|1,0,0]=3 1728 B16R1.1432 COCCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000233755 [0,2,0,0,0,0|1,0,0]=3 1729 B16R1.1432 COCCSc1ccc(c(c1)NC(=O)C)C 62a_100000233755_100011344836 [0,2,0,0,0,0|1,0,0]=3 1730 B16R1.1432 COCCSc1ccc(c(c1)NC(=O)C)F 62a_100000233755_200011951791 [0,2,0,0,0,0|1,0,0]=3 1731 B16R1.1432 COCCSc1ccc(c(c1)OC(=O)C)C 62a_100000233755_100103282185 [0,2,0,0,0,0|2,0,0]=4 1732 B16R1.1432 COCCSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_100000233755 [0,2,0,0,0,0|2,0,0]=4 1733 B16R1.1432 COCCSc1cnc(c(c1)NC(=O)C)C 62a_100000233755_100010117071 [0,2,0,0,0,0|2,0,0]=4 1734 B16R1.1432 COCCSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_100000233755 [0,2,0,0,0,0|2,0,0]=4 1735 B16R1.1432 CSCCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000212216 [0,2,0,0,0,0|1,1,0]=4 1736 B16R1.1432 CSCCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000212216 [0,2,0,0,0,0|1,1,0]=4 1737 B16R1.1432 CSCCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000212216 [0,2,0,0,0,0|1,1,0]=4 1738 B16R1.1432 CSCCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000212216 [0,2,0,0,0,0|1,1,0]=4 1739 B16R1.1432 CSCCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000212216 [0,2,0,0,0,0|1,1,0]=4 1740 B16R1.1432 CSCCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000212216 [0,2,0,0,0,0|1,1,0]=4 1741 B16R1.1432 CSCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000212216 [0,2,0,0,0,0|0,1,0]=3 1742 B16R1.1432 CSCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000212216 [0,2,0,0,0,0|0,1,0]=3 1743 B16R1.1432 CSCCSc1ccc(c(c1)CC(=O)C)O 62a_100000212216_200010006938 [0,2,0,0,0,0|1,1,0]=4 1744 B16R1.1432 CSCCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000751147 [0,2,0,0,0,0|1,1,0]=4 1745 B16R1.1432 CSCCSc1ccc(c(c1)NC(=O)C)C 62a_100000212216_100011344836 [0,2,0,0,0,0|1,1,0]=4 1746 B16R1.1432 CSCCSc1ccc(c(c1)NC(=O)C)F 62a_100000212216_200011951791 [0,2,0,0,0,0|1,1,0]=4 1747 B16R1.7367 CCCCc1cc(c(cc1F)F)NC(=O)C 271570a_100020621405_200013902858 [0,2,0,0,0,0|2,0,0]=4 1748 B16R1.7367 CCCOc1cc(c(cc1Br)F)NC(=O)C 11a_100021428089_100015343762 [0,2,0,0,0,0|2,0,0]=4 1749 B16R1.7367 CCCOc1cc(c(cc1Br)F)NC(=O)C 1626a_100021428089_100015343762 [0,2,0,0,0,0|2,0,0]=4 1750 B16R1.7367 CCCOc1cc(c(cc1Br)F)NC(=O)C 22a_100021428089_100000070787 [0,2,0,0,0,0|2,0,0]=4 1751 B16R1.7367 CCCOc1cc(c(cc1Br)F)NC(=O)C 527a_100021428089_100103153847 [0,2,0,0,0,0|2,0,0]=4 1752 B16R1.7367 CCCOc1cc(c(cc1Cl)Cl)NC(=O)C 34a_200000039401_100000210303 [0,2,0,0,0,0|2,0,0]=4 1753 B16R1.7367 CCCOc1cc(c(cc1Cl)Cl)NC(=O)C 7a_200000039401_100000210303 [0,2,0,0,0,0|2,0,0]=4 1754 B16R1.7367 CCCSc1cc(c(cc1F)F)NC(=O)C 62a_100000210303_200013902858 [0,2,0,0,0,0|2,0,0]=4 1755 B16R1.7367 CCCSc1cc(c(cc1F)F)NC(=O)C 62a_200013902858_100000210303 [0,2,0,0,0,0|2,0,0]=4 1756 B16R1.7367 COCSc1cc(c(cc1F)F)NC(=O)C 62a_100000766300_200013902858 [0,2,0,0,0,0|1,0,0]=3 1757 B16R1.7367 COCSc1cc(c(cc1F)F)NC(=O)C 62a_200013902858_100000766300 [0,2,0,0,0,0|1,0,0]=3 1758 B16R1.7367 CSCOc1cc(c(cc1Cl)Cl)NC(=O)C 34a_200000039401_100011218213 [0,2,0,0,0,0|1,1,0]=4 1759 B16R1.7367 CSCSc1cc(c(cc1F)F)NC(=O)C 62a_100011218213_200013902858 [0,2,0,0,0,0|1,1,0]=4 1760 B16R1.7367 CSCSc1cc(c(cc1F)F)NC(=O)C 62a_200013902858_100011218213 [0,2,0,0,0,0|1,1,0]=4 1761 B16R1.17978 C#CCNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100000184674 [0,2,0,0,0,0|1,0,1]=4 1762 B16R1.17978 C#CCNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100000038162 [0,2,0,0,0,0|1,0,1]=4 1763 B16R1.17978 C#CCSc1ccc(c(c1)NC(=O)C)OC 62a_100000038162_200011407902 [0,2,0,0,0,0|1,0,1]=4 1764 B16R1.17978 C=CCNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100015514636 [0,2,0,0,0,0|1,0,1]=4 1765 B16R1.17978 C=CCNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100015514636 [0,2,0,0,0,0|1,0,1]=4 1766 B16R1.17978 C=CCSc1ccc(c(c1)NC(=O)C)OC 62a_100000210623_200011407902 [0,2,0,0,0,0|1,0,1]=4 1767 B16R1.17978 CCCCc1ccc(c(c1)CC(=O)C)OC 271570a_100020621405_200011493461 [0,2,0,0,0,0|2,0,0]=4 1768 B16R1.17978 CCCCc1ccc(c(c1)NC(=O)C)OC 271570a_100020621405_200011407902 [0,2,0,0,0,0|1,0,0]=3 1769 B16R1.17978 CCCCc1ccc(c(c1)OC(=O)C)OC 271570a_100020621405_200011016479 [0,2,0,0,0,0|2,0,0]=4 1770 B16R1.17978 CCCNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100000210303 [0,2,0,0,0,0|1,0,0]=3 1771 B16R1.17978 CCCNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100000210303 [0,2,0,0,0,0|1,0,0]=3 1772 B16R1.17978 CCCSc1ccc(c(c1)CC(=O)C)OC 62a_200011493461_100000210303 [0,2,0,0,0,0|2,0,0]=4 1773 B16R1.17978 CCCSc1ccc(c(c1)NC(=O)C)OC 62a_100000210303_200011407902 [0,2,0,0,0,0|1,0,0]=3 1774 B16R1.17978 CCNCc1ccc(c(c1)OC(=O)C)OC 207a_100015525214_100000014717 [0,2,0,0,0,0|2,0,0]=4 1775 B16R1.17978 CCNCc1ccc(c(c1)OC(=O)C)OC 270004a_100015525214_100000014717 [0,2,0,0,0,0|2,0,0]=4 1776 B16R1.17978 COCOc1ccc(c(c1)C=C(C)C)OC 271570a_100102525489_200161107199 [0,2,0,0,0,0|2,0,0]=4 1777 B16R1.17978 COCSc1ccc(c(c1)CC(=O)C)OC 62a_200011493461_100000766300 [0,2,0,0,0,0|1,0,0]=3 1778 B16R1.17978 COCSc1ccc(c(c1)NC(=O)C)OC 62a_100000766300_200011407902 [0,2,0,0,0,0|0,0,0]=2 1779 B16R1.17978 COc1ccc(cc1CC(=O)C)SCSC 62a_200011493461_100011218213 [0,2,0,0,0,0|1,1,0]=4 1780 B16R1.17978 COc1ccc(cc1NC(=O)C)NCC#N 7a_100000736378_100011215382 [0,2,0,0,0,0|2,0,0]=4 1781 B16R1.17978 COc1ccc(cc1NC(=O)C)NCC=O 34a_100000736378_200009817547 [0,2,0,0,0,0|2,0,0]=4 1782 B16R1.17978 COc1ccc(cc1NC(=O)C)NCC=O 7a_100000736378_200015260668 [0,2,0,0,0,0|2,0,0]=4 1783 B16R1.17978 COc1ccc(cc1NC(=O)C)NCCF 34a_100000736378_100011217306 [0,2,0,0,0,0|2,0,0]=4 1784 B16R1.17978 COc1ccc(cc1NC(=O)C)NCCF 7a_100000736378_100011217306 [0,2,0,0,0,0|2,0,0]=4 1785 B16R1.17978 COc1ccc(cc1NC(=O)C)NCCO 34a_100000736378_100000211926 [0,2,0,0,0,0|2,0,0]=4 1786 B16R1.17978 COc1ccc(cc1NC(=O)C)NCCO 7a_100000736378_100000211926 [0,2,0,0,0,0|2,0,0]=4 1787 B16R1.17978 COc1ccc(cc1NC(=O)C)NCSC 34a_100000736378_100011218213 [0,2,0,0,0,0|0,1,0]=3 1788 B16R1.17978 COc1ccc(cc1NC(=O)C)SCC#N 62a_100011215382_200011407902 [0,2,0,0,0,0|2,0,0]=4 1789 B16R1.17978 COc1ccc(cc1NC(=O)C)SCC=O 62a_200015260668_200011407902 [0,2,0,0,0,0|2,0,0]=4 1790 B16R1.17978 COc1ccc(cc1NC(=O)C)SCCF 62a_100011217306_200011407902 [0,2,0,0,0,0|2,0,0]=4 1791 B16R1.17978 COc1ccc(cc1NC(=O)C)SCCO 62a_100000211926_200011407902 [0,2,0,0,0,0|2,0,0]=4 1792 B16R1.17978 COc1ccc(cc1NC(=O)C)SCSC 62a_100011218213_200011407902 [0,2,0,0,0,0|0,1,0]=3 1793 B16R1.17979 CCC(=O)Nc1cc(ccc1C)NCSC 34a_200011193571_100011218213 [0,2,0,0,0,0|1,1,0]=4 1794 B16R1.17979 CCCCc1ccc(c(c1)CC(=O)OC)O 271570a_100020621405_100010185610 [0,2,0,0,0,0|2,0,0]=4 1795 B16R1.17979 CCCNc1ccc(c(c1)NC(=O)CC)C 34a_200011193571_100000210303 [0,2,0,0,0,0|2,0,0]=4 1796 B16R1.17979 CCCNc1ccc(c(c1)NC(=O)CC)C 7a_200011193571_100000210303 [0,2,0,0,0,0|2,0,0]=4 1797 B16R1.17979 CCCSc1ccc(c(c1)CC(=O)OC)O 62a_100000210303_100010185610 [0,2,0,0,0,0|2,0,0]=4 1798 B16R1.17979 CCCSc1ccc(c(c1)CC(=O)OC)O 62a_100010185610_100000210303 [0,2,0,0,0,0|2,0,0]=4 1799 B16R1.17979 COC(=O)Cc1cc(ccc1O)SCSC 62a_100010185610_100011218213 [0,2,0,0,0,0|1,1,0]=4 1800 B16R1.17979 COC(=O)Cc1cc(ccc1O)SCSC 62a_100011218213_100010185610 [0,2,0,0,0,0|1,1,0]=4 1801 B16R1.17979 COCSc1ccc(c(c1)CC(=O)OC)O 62a_100000766300_100010185610 [0,2,0,0,0,0|1,0,0]=3 1802 B16R1.17979 COCSc1ccc(c(c1)CC(=O)OC)O 62a_100010185610_100000766300 [0,2,0,0,0,0|1,0,0]=3 1803 B16R1.39546 CCCNc1ccc(c(c1F)NC(=O)C)F 34a_100009824841_100000210303 [0,2,0,0,0,0|2,0,0]=4 1804 B16R1.39546 COCOc1ccc(c(c1C)NC(=O)C)C 11a_100154351052_100015343762 [0,2,0,0,0,0|1,0,0]=3 1805 B16R1.39546 COCOc1ccc(c(c1C)NC(=O)C)C 1626a_100154351052_100015343762 [0,2,0,0,0,0|1,0,0]=3 1806 B16R1.39546 COCOc1ccc(c(c1C)NC(=O)C)C 22a_100154351052_100000070787 [0,2,0,0,0,0|1,0,0]=3 1807 B16R1.39546 COCOc1ccc(c(c1C)NC(=O)C)C 527a_100154351052_100103153847 [0,2,0,0,0,0|1,0,0]=3 1808 B16R1.39546 CSCNc1ccc(c(c1F)NC(=O)C)F 34a_100009824841_100011218213 [0,2,0,0,0,0|1,1,0]=4 1809 B16R1.13520 CCS(=O)(=O)Nc1cc(ccc1Br)COC 232682a_200013033220_100000211323 [0,2,0,0,0,0|2,0,0]=4 1810 B16R1.13478 CCOc1ccc(c(c1)NC(=O)C)OCC 11a_100000211849_100015343762 [0,2,0,0,0,0|2,0,0]=4 1811 B16R1.13478 CCOc1ccc(c(c1)NC(=O)C)OCC 1626a_100000211849_100015343762 [0,2,0,0,0,0|2,0,0]=4 1812 B16R1.13478 CCOc1ccc(c(c1)NC(=O)C)OCC 22a_100000211849_100000070787 [0,2,0,0,0,0|2,0,0]=4 1813 B16R1.13476 C#CCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100011220946 [0,2,0,0,0,0|1,0,0]=3 1814 B16R1.13476 C=CCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000210193 [0,2,0,0,0,0|1,0,0]=3 1815 B16R1.13476 C=CCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000210193 [0,2,0,0,0,0|1,0,0]=3 1816 B16R1.13476 CC=CC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000210699 [0,2,0,0,0,0|1,0,0]=3 1817 B16R1.13476 CC=CC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000210699 [0,2,0,0,0,0|1,0,0]=3 1818 B16R1.13476 CCCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000211992 [0,2,0,0,0,0|1,0,0]=3 1819 B16R1.13476 CCCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000211992 [0,2,0,0,0,0|1,0,0]=3 1820 B16R1.13476 CCNC(=O)Nc1cc(ccc1Br)COC 2430a_200013033220_100015525214 [0,2,0,0,0,0|1,0,0]=3 1821 B16R1.13476 COCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000210968 [0,2,0,0,0,0|1,0,0]=3 1822 B16R1.13476 COCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000210968 [0,2,0,0,0,0|1,0,0]=3 1823 B16R1.13476 COCc1ccc(c(c1)NC(=O)C=CBr)Br 1626a_200013033220_100016273825 [0,2,0,0,0,0|1,0,1]=4 1824 B16R1.13476 COCc1ccc(c(c1)NC(=O)C=CCl)Br 11a_200013033220_200016279998 [0,2,0,0,0,0|1,0,1]=4 1825 B16R1.13476 COCc1ccc(c(c1)NC(=O)C=CCl)Br 1626a_200013033220_200016279998 [0,2,0,0,0,0|1,0,1]=4 1826 B16R1.13476 COCc1ccc(c(c1)NC(=O)C=CI)Br 1626a_200013033220_100016256311 [0,2,0,0,0,0|1,0,1]=4 1827 B16R1.13476 COCc1ccc(c(c1)NC(=O)CC#N)Br 1626a_200013033220_100051588842 [0,2,0,0,0,0|1,0,0]=3 1828 B16R1.13476 COCc1ccc(c(c1)NC(=O)CSC)Br 11a_200013033220_100000184570 [0,2,0,0,0,0|1,0,0]=3 1829 B16R1.13476 COCc1ccc(c(c1)NC(=O)CSC)Br 1626a_200013033220_100000184570 [0,2,0,0,0,0|1,0,0]=3 1830 B14R1.142 COCc1ccc(cc1)CNC(=O)C 11a_100000738208_100015343762 [0,0,1,1,0,0|1,0,1]=4 1831 B14R1.142 COCc1ccc(cc1)CNC(=O)C 1626a_100000738208_100015343762 [0,0,1,1,0,0|1,0,1]=4 1832 B14R1.142 COCc1ccc(cc1)CNC(=O)C 240690a_100000738208_100015343762 [0,0,1,1,0,0|1,0,1]=4 1833 B14R1.142 COCc1ccc(cc1)CNC(=O)C 527a_100000738208_100103153847 [0,0,1,1,0,0|1,0,1]=4 1834 B14R2.134 C=Cc1ccc2c(c1)NC(=O)CO2 271570a_100011290941_100000244627 [1,0,0,1,0,0|0,0,2]=4 1835 B14R2.134 CNc1ccc2c(c1)NC(=O)CC2 2230a_100000055022_200000210301 [1,0,0,1,0,0|2,0,0]=4 1836 B14R2.134 CNc1ccc2c(c1)NC(=O)CC2 34a_100000055022_200000210301 [1,0,0,1,0,0|2,0,0]=4 1837 B14R2.134 CNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_200000210301 [1,0,0,1,0,0|1,0,0]=3 1838 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200000210301 [1,0,0,1,0,0|2,0,0]=4 1839 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200000210301 [1,0,0,1,0,0|2,0,0]=4 1840 B14R2.134 COc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200000210301 [1,0,0,1,0,0|1,0,0]=3 1841 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200000210301 [1,0,0,1,0,0|0,0,0]=2 1842 B14R2.134 COc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200000210301 [1,0,0,1,0,0|2,0,0]=4 1843 B14R2.134 CSc1ccc2c(c1)NC(=O)CC2 62a_100000763451_200000210301 [1,0,0,1,0,0|1,1,0]=4 1844 B14R2.134 CSc1ccc2c(c1)NC(=O)CC2 62a_200000210301_100000763451 [1,0,0,1,0,0|1,1,0]=4 1845 B14R2.134 CSc1cnc2c(c1)NC(=O)CO2 62a_200000210301_100000699640 [1,0,0,1,0,0|1,1,0]=4 1846 B14R2.134 [13CH3]Nc1ccc2c(c1)NC(=O)CC2 2230a_100000055022_200025704644 [1,0,0,1,0,0|2,0,0]=4 1847 B14R2.134 [13CH3]Nc1ccc2c(c1)NC(=O)CC2 34a_100000055022_200025704644 [1,0,0,1,0,0|2,0,0]=4 1848 B14R2.134 [13CH3]Nc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_200025704644 [1,0,0,1,0,0|1,0,0]=3 1849 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200025704644 [1,0,0,1,0,0|2,0,0]=4 1850 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200025704644 [1,0,0,1,0,0|2,0,0]=4 1851 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200025704644 [1,0,0,1,0,0|1,0,0]=3 1852 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200025704644 [1,0,0,1,0,0|0,0,0]=2 1853 B14R2.134 [13CH3]Oc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200025704644 [1,0,0,1,0,0|2,0,0]=4 1854 B14R2.134 [13CH3]Sc1ccc2c(c1)NC(=O)CC2 62a_100000763451_200025704644 [1,0,0,1,0,0|1,1,0]=4 1855 B14R2.134 [13CH3]Sc1ccc2c(c1)NC(=O)CC2 62a_200025704644_100000763451 [1,0,0,1,0,0|1,1,0]=4 1856 B14R2.134 [13CH3]Sc1cnc2c(c1)NC(=O)CO2 62a_200025704644_100000699640 [1,0,0,1,0,0|1,1,0]=4 1857 B14R2.161 CCc1ccc(c(c1)NC2CC2)O 34a_100000765835_100000211595 [1,0,0,1,0,0|1,0,1]=4 1858 B14R2.161 COc1ccc(c(c1)NC2CC2)O 34a_100000188146_100000211595 [1,0,0,1,0,0|1,0,1]=4 1859 B14R2.161 OCc1ccc(c(c1)NC2CC2)O 34a_100000123545_100000211595 [1,0,0,1,0,0|1,0,1]=4 1860 B14R2.1726 CSc1ccc(c2c1CC(=O)N2)F 62a_200000210301_100012355367 [1,0,0,1,0,0|1,1,0]=4 1861 B14R2.1726 [13CH3]Sc1ccc(c2c1CC(=O)N2)F 62a_200025704644_100012355367 [1,0,0,1,0,0|1,1,0]=4 1862 B14R2.535 CC=Cc1cccc2c1CC(=O)N2 271570a_100016259895_100009816812 [1,0,0,1,0,0|1,0,1]=4 1863 B14R2.535 CCSc1cccc2c1CC(=O)N2 62a_100000210202_100009816812 [1,0,0,1,0,0|2,0,0]=4 1864 B14R2.1007 CC(=O)Cc1cccc(c1)C2CC2 271570a_100011220607_100000689217 [1,0,0,1,0,0|2,0,0]=4 1865 B14R2.1007 CC(=O)Nc1cc(ccn1)C2CC2 271570a_100011220607_100012362434 [1,0,0,1,0,0|2,0,0]=4 1866 B14R2.1007 CC(=O)Nc1cccc(c1)C2CC2 11a_100025755985_100015343762 [1,0,0,1,0,0|1,0,0]=3 1867 B14R2.1007 CC(=O)Nc1cccc(c1)C2CC2 1626a_100025755985_100015343762 [1,0,0,1,0,0|1,0,0]=3 1868 B14R2.1007 CC(=O)Nc1cccc(c1)C2CC2 22a_100025755985_100000070787 [1,0,0,1,0,0|1,0,0]=3 1869 B14R2.1007 CC(=O)Nc1cccc(c1)C2CC2 271570a_100011220607_100000153616 [1,0,0,1,0,0|1,0,0]=3 1870 B14R2.1007 CC(=O)Nc1cccc(c1)C2CC2 527a_100025755985_100103153847 [1,0,0,1,0,0|1,0,0]=3 1871 B14R2.1007 CC(=O)Nc1cccc(n1)C2CC2 271570a_100011220607_200011307899 [1,0,0,1,0,0|2,0,0]=4 1872 B14R2.1007 CC(=O)Nc1ccnc(c1)C2CC2 271570a_100011220607_100000238608 [1,0,0,1,0,0|2,0,0]=4 1873 B14R2.1007 CC(=O)Nc1cncc(c1)C2CC2 271570a_100011220607_100012351681 [1,0,0,1,0,0|2,0,0]=4 1874 B14R2.1007 CC(=O)Oc1cccc(c1)C2CC2 271570a_100011220607_100009811612 [1,0,0,1,0,0|2,0,0]=4 1875 B14R2.1007 NC(=O)Nc1cccc(c1)C2CC2 271570a_100011220607_100000238923 [1,0,0,1,0,0|2,0,0]=4 1876 B14R2.1008 CC(=Cc1ccc2c(c1)COC2)C 271570a_100102525489_100000698232 [1,0,0,1,0,0|2,0,0]=4 1877 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 11a_100000211504_100015343762 [1,0,0,1,0,0|1,0,0]=3 1878 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 1626a_100000211504_100015343762 [1,0,0,1,0,0|1,0,0]=3 1879 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 22a_100000211504_100000070787 [1,0,0,1,0,0|1,0,0]=3 1880 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 527a_100000211504_100103153847 [1,0,0,1,0,0|1,0,0]=3 1881 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 11a_100000736984_100015343762 [1,0,0,1,0,0|2,0,0]=4 1882 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 1626a_100000736984_100015343762 [1,0,0,1,0,0|2,0,0]=4 1883 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 22a_100000736984_100000070787 [1,0,0,1,0,0|2,0,0]=4 1884 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 527a_100000736984_100103153847 [1,0,0,1,0,0|2,0,0]=4 1885 B14R2.1008 CC(=O)Nc1ccc2c(c1)COC2 11a_100011728444_100015343762 [1,0,0,1,0,0|0,0,0]=2 1886 B14R2.1008 CC(=O)Nc1ccc2c(c1)COC2 1626a_100011728444_100015343762 [1,0,0,1,0,0|0,0,0]=2 1887 B14R2.1008 CC(=O)Nc1ccc2c(c1)COC2 22a_100011728444_100000070787 [1,0,0,1,0,0|0,0,0]=2 1888 B14R2.1008 CC(=O)Nc1ccc2c(c1)COC2 527a_100011728444_100103153847 [1,0,0,1,0,0|0,0,0]=2 1889 B14R2.1008 CC(C)Nc1ccc2c(c1)COC2 2230a_100011728444_100000210206 [1,0,0,1,0,0|1,0,1]=4 1890 B14R2.1008 CC(C)Nc1ccc2c(c1)COC2 34a_100011728444_100000210206 [1,0,0,1,0,0|1,0,1]=4 1891 B14R2.6400 CC=Cc1ccc2c(c1)NC(=O)C2 271570a_100016259895_100000760487 [1,0,0,1,0,0|1,0,1]=4 1892 B14R2.6400 CCSc1ccc2c(c1)NC(=O)C2 62a_100000210202_100000760487 [1,0,0,1,0,0|2,0,0]=4 1893 B14R2.6400 CNCc1ccc2[nH]c(=O)[nH]c2c1 207a_100102657272_100000709728 [1,0,0,1,0,0|2,0,0]=4 1894 B14R2.6400 CNCc1ccc2[nH]c(=O)[nH]c2c1 2230a_100000697230_200000210301 [1,0,0,1,0,0|2,0,0]=4 1895 B14R2.6400 CNCc1ccc2[nH]c(=O)[nH]c2c1 270004a_106832991635_100000709728 [1,0,0,1,0,0|2,0,0]=4 1896 B14R2.6400 COCc1ccc2nc(oc2c1)C 34a_100010326561_200000210301 [1,0,0,1,0,0|2,0,0]=4 1897 B14R2.6400 COCc1ccc2nc(oc2c1)C 7a_100010326561_200000210301 [1,0,0,1,0,0|2,0,0]=4 1898 B14R2.6400 COCc1ccc2oc(nc2c1)C 34a_200009878806_200000210301 [1,0,0,1,0,0|0,0,2]=4 1899 B14R2.6400 COCc1ccc2oc(nc2c1)C 7a_200009878806_200000210301 [1,0,0,1,0,0|0,0,2]=4 1900 B14R2.6400 Cc1nc2cc(ccc2o1)CO[13CH3] 34a_200009878806_200025704644 [1,0,0,1,0,0|0,0,2]=4 1901 B14R2.6400 Cc1nc2cc(ccc2o1)CO[13CH3] 7a_200009878806_200025704644 [1,0,0,1,0,0|0,0,2]=4 1902 B14R2.6400 Cc1nc2ccc(cc2o1)CO[13CH3] 34a_100010326561_200025704644 [1,0,0,1,0,0|2,0,0]=4 1903 B14R2.6400 Cc1nc2ccc(cc2o1)CO[13CH3] 7a_100010326561_200025704644 [1,0,0,1,0,0|2,0,0]=4 1904 B14R2.6400 [13CH3]NCc1ccc2[nH]c(=O)[nH]c2c1 2230a_100000697230_200025704644 [1,0,0,1,0,0|2,0,0]=4 1905 B14R2.9440 CC(=Cc1cccc2c1COC2)C 271570a_100102525489_100010384907 [1,0,0,1,0,0|2,0,0]=4 1906 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 11a_100000043548_100015343762 [1,0,0,1,0,0|1,0,0]=3 1907 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100015343762 [1,0,0,1,0,0|1,0,0]=3 1908 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000070787 [1,0,0,1,0,0|1,0,0]=3 1909 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 527a_100000043548_100103153847 [1,0,0,1,0,0|1,0,0]=3 1910 B14R2.9440 CC(=O)Nc1cccc2c1CCO2 11a_100000084147_100015343762 [1,0,0,1,0,0|2,0,0]=4 1911 B14R2.9440 CC(=O)Nc1cccc2c1CCO2 1626a_100000084147_100015343762 [1,0,0,1,0,0|2,0,0]=4 1912 B14R2.9440 CC(=O)Nc1cccc2c1CCO2 22a_100000084147_100000070787 [1,0,0,1,0,0|2,0,0]=4 1913 B14R2.9440 CC(=O)Nc1cccc2c1CCO2 527a_100000084147_100103153847 [1,0,0,1,0,0|2,0,0]=4 1914 B14R2.9440 CC(=O)Nc1cccc2c1COC2 11a_100000125316_100015343762 [1,0,0,1,0,0|0,0,0]=2 1915 B14R2.9440 CC(=O)Nc1cccc2c1COC2 1626a_100000125316_100015343762 [1,0,0,1,0,0|0,0,0]=2 1916 B14R2.9440 CC(=O)Nc1cccc2c1COC2 22a_100000125316_100000070787 [1,0,0,1,0,0|0,0,0]=2 1917 B14R2.9440 CC(=O)Nc1cccc2c1COC2 527a_100000125316_100103153847 [1,0,0,1,0,0|0,0,0]=2 1918 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 11a_100000102157_100015343762 [1,0,0,1,0,0|2,0,0]=4 1919 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 1626a_100000102157_100015343762 [1,0,0,1,0,0|2,0,0]=4 1920 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 22a_100000102157_100000070787 [1,0,0,1,0,0|2,0,0]=4 1921 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 527a_100000102157_100103153847 [1,0,0,1,0,0|2,0,0]=4 1922 B14R2.9440 CC(=O)Nc1cccc2c1non2 11a_100000028140_100015343762 [1,0,0,1,0,0|2,0,0]=4 1923 B14R2.9440 CC(=O)Nc1cccc2c1non2 1626a_100000028140_100015343762 [1,0,0,1,0,0|2,0,0]=4 1924 B14R2.9440 CC(C)Nc1cccc2c1COC2 2230a_100000125316_100000210206 [1,0,0,1,0,0|1,0,1]=4 1925 B14R2.9440 CC(C)Nc1cccc2c1COC2 34a_100000125316_100000210206 [1,0,0,1,0,0|1,0,1]=4 1926 B14R2.9671 COCc1cccc(c1)NC2CC2 34a_100000737370_100000211595 [1,0,0,1,0,0|1,0,1]=4 1927 B14R2.112 COCc1ccc2c(c1)OCCO2 34a_100000745213_200000210301 [1,0,0,1,0,0|1,0,1]=4 1928 B14R2.112 [13CH3]OCc1ccc2c(c1)OCCO2 34a_100000745213_200025704644 [1,0,0,1,0,0|1,0,1]=4 1929 B14R2.583 CC=Cc1cc2c(cc1O)CCC2 271570a_100016259895_200010659162 [1,0,0,1,0,0|2,0,0]=4 1930 B14R2.9645 CC=Cc1cc(ccc1O)C2CC2 271570a_100016259895_100135415898 [1,0,0,1,0,0|2,0,0]=4 1931 B14R2.475 CC=Cc1ccc2c(c1)C(=O)CO2 271570a_100016259895_100000752586 [0,0,0,1,1,0|1,0,1]=4 1932 B14R2.475 CCSc1ccc2c(c1)C(=O)CO2 62a_100000210202_100000752586 [0,0,0,1,1,0|2,0,0]=4 1933 B14R2.624 C=C(C)c1cc2c(cc1O)CCC2 271570a_100000694244_200010659162 [0,0,0,1,1,0|2,0,0]=4 1934 B14R2.945 C=C(C)c1cc(ccc1O)C2CC2 271570a_100000694244_100135415898 [0,0,0,1,1,0|2,0,0]=4 1935 B14R2.945 CC(=O)c1cc(ccc1C)C2CC2 271570a_100011220607_100012706819 [0,0,0,1,1,0|2,0,0]=4 1936 B14R2.945 CC(=O)c1cc(ccc1Cl)C2CC2 271570a_100011220607_100010712560 [0,0,0,1,1,0|2,0,0]=4 1937 B14R2.945 CC(=O)c1cc(ccc1F)C2CC2 271570a_100011220607_100000689017 [0,0,0,1,1,0|2,0,0]=4 1938 B14R2.945 CC(=O)c1cc(ccc1N)C2CC2 271570a_100011220607_100000695420 [0,0,0,1,1,0|2,0,0]=4 1939 B14R2.945 CC(=O)c1cc(ccc1O)C2CC2 271570a_100011220607_100000212127 [0,0,0,1,1,0|1,0,0]=3 1940 B14R2.945 NC(=O)c1cc(ccc1O)C2CC2 271570a_100011220607_100000192807 [0,0,0,1,1,0|2,0,0]=4 1941 B16R2.11975 CC(=Cc1ccc2c(c1)NC(=O)CO2)C 271570a_100102525489_100000244627 [0,1,0,1,0,0|1,0,1]=4 1942 B16R2.11975 CC(=O)Nc1ccc2c(c1)NC(=O)CO2 11a_100000230169_100015343762 [0,1,0,1,0,0|2,0,0]=4 1943 B16R2.11975 CC(=O)Nc1ccc2c(c1)NC(=O)CO2 1626a_100000230169_100015343762 [0,1,0,1,0,0|2,0,0]=4 1944 B16R2.11975 CC(=O)Nc1ccc2c(c1)NC(=O)CO2 22a_100000230169_100000070787 [0,1,0,1,0,0|2,0,0]=4 1945 B16R2.11975 CC(=O)Nc1ccc2c(c1)NC(=O)CO2 527a_100000230169_100103153847 [0,1,0,1,0,0|2,0,0]=4 1946 B16R2.11975 CC(C)Nc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000210206 [0,1,0,1,0,0|2,0,0]=4 1947 B16R2.11975 CC(C)Oc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000210206 [0,1,0,1,0,0|2,0,0]=4 1948 B16R2.11975 CN(C)Cc1ccc2c(c1)NC(=O)CO2 270004a_100102631434_100000766376 [0,1,0,1,0,0|1,0,0]=3 1949 B16R2.33275 CC(=O)Cc1cc(ccc1O)SC2CC2 62a_200010006938_100000211595 [0,1,0,1,0,0|2,0,0]=4 1950 B16R2.33275 CC(=O)Nc1cc(ccc1C)NC2CC2 34a_100000740626_100000211595 [0,1,0,1,0,0|2,0,0]=4 1951 B16R2.33275 CC(=O)Nc1cc(ccc1Cl)NC2CC2 34a_100000745429_100000211595 [0,1,0,1,0,0|2,0,0]=4 1952 B16R2.33275 CC(=O)Nc1cc(ccc1F)NC2CC2 34a_100000736141_100000211595 [0,1,0,1,0,0|2,0,0]=4 1953 B16R2.33275 CC(=O)Nc1cc(ccc1O)NC2CC2 34a_100000070259_100000211595 [0,1,0,1,0,0|1,0,0]=3 1954 B16R2.1205 CCC(=O)c1ccc2c(c1)NC(=O)CO2 1458a_100000187493_100000210202 [0,1,0,1,0,0|1,0,1]=4 1955 B16R2.1205 CNC(=O)c1ccc2c(c1)NC(=O)CO2 11a_106832991635_100000187493 [0,1,0,1,0,0|1,0,1]=4 1956 B16R2.1205 CNC(=O)c1ccc2c(c1)NC(=O)CO2 1626a_100102657272_100000187493 [0,1,0,1,0,0|1,0,1]=4 1957 B16R2.1205 CNC(=O)c1ccc2c(c1)NC(=O)CO2 240690a_100102657272_100000187493 [0,1,0,1,0,0|1,0,1]=4 1958 B16R2.1205 CNC(=O)c1ccc2c(c1)NC(=O)CO2 527a_100102657272_100000187493 [0,1,0,1,0,0|1,0,1]=4 1959 B16R2.1285 C#CCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000038162 [0,1,0,1,0,0|1,0,1]=4 1960 B16R2.1285 C#CCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000184674 [0,1,0,1,0,0|1,0,1]=4 1961 B16R2.1285 C=CCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000210623 [0,1,0,1,0,0|1,0,1]=4 1962 B16R2.1285 C=CCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100015514636 [0,1,0,1,0,0|1,0,1]=4 1963 B16R2.1285 CCCCc1ccc2c(c1)NC(=O)CC2 271570a_100020621405_100000763451 [0,1,0,1,0,0|2,0,0]=4 1964 B16R2.1285 CCCCc1ccc2c(c1)NC(=O)CO2 271570a_100020621405_100000244627 [0,1,0,1,0,0|1,0,0]=3 1965 B16R2.1285 CCCCc1ccc2c(c1)NC(=O)CS2 271570a_100020621405_100012361575 [0,1,0,1,0,0|1,1,0]=4 1966 B16R2.1285 CCCCc1ccc2c(n1)NC(=O)CO2 271570a_100020621405_100010235088 [0,1,0,1,0,0|2,0,0]=4 1967 B16R2.1285 CCCCc1cnc2c(c1)NC(=O)CO2 271570a_100020621405_100000699640 [0,1,0,1,0,0|2,0,0]=4 1968 B16R2.1285 CCCNc1ccc2c(c1)NC(=O)CC2 2230a_100000055022_100000210303 [0,1,0,1,0,0|2,0,0]=4 1969 B16R2.1285 CCCNc1ccc2c(c1)NC(=O)CC2 34a_100000055022_100000210303 [0,1,0,1,0,0|2,0,0]=4 1970 B16R2.1285 CCCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000210303 [0,1,0,1,0,0|1,0,0]=3 1971 B16R2.1285 CCCOc1ccc2c(c1)NC(=O)CC2 34a_100000708604_100000210303 [0,1,0,1,0,0|2,0,0]=4 1972 B16R2.1285 CCCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000210303 [0,1,0,1,0,0|1,0,0]=3 1973 B16R2.1285 CCCSc1ccc2c(c1)NC(=O)CC2 62a_100000210303_100000763451 [0,1,0,1,0,0|2,0,0]=4 1974 B16R2.1285 CCCSc1ccc2c(c1)NC(=O)CC2 62a_100000763451_100000210303 [0,1,0,1,0,0|2,0,0]=4 1975 B16R2.1285 CCCSc1cnc2c(c1)NC(=O)CO2 62a_100000210303_100000699640 [0,1,0,1,0,0|2,0,0]=4 1976 B16R2.1285 CCNCc1ccc2c(c1)NC(=O)CO2 270004a_100015525214_100000766376 [0,1,0,1,0,0|1,0,0]=3 1977 B16R2.1285 COCNc1ccc2c(c1)NC(=O)CC2 2230a_100000055022_100000766300 [0,1,0,1,0,0|1,0,0]=3 1978 B16R2.1285 COCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000766300 [0,1,0,1,0,0|0,0,0]=2 1979 B16R2.1285 COCSc1ccc2c(c1)CC(=O)CC2 62a_100000766300_100010138410 [0,1,0,1,0,0|2,0,0]=4 1980 B16R2.1285 COCSc1ccc2c(c1)CC(=O)CC2 62a_100010138410_100000766300 [0,1,0,1,0,0|2,0,0]=4 1981 B16R2.1285 COCSc1ccc2c(c1)NC(=O)CC2 62a_100000763451_100000766300 [0,1,0,1,0,0|1,0,0]=3 1982 B16R2.1285 COCSc1ccc2c(c1)NC(=O)CC2 62a_100000766300_100000763451 [0,1,0,1,0,0|1,0,0]=3 1983 B16R2.1285 COCSc1ccc2c(c1)NC(=O)NC2 62a_100000766300_100010161048 [0,1,0,1,0,0|2,0,0]=4 1984 B16R2.1285 COCSc1ccc2c(c1)NC(=O)NC2 62a_100010161048_100000766300 [0,1,0,1,0,0|2,0,0]=4 1985 B16R2.1285 COCSc1cnc2c(c1)NC(=O)CO2 62a_100000766300_100000699640 [0,1,0,1,0,0|1,0,0]=3 1986 B16R2.1285 CSCNc1ccc2c(c1)NC(=O)CC2 2230a_100000055022_100011218213 [0,1,0,1,0,0|1,1,0]=4 1987 B16R2.1285 CSCNc1ccc2c(c1)NC(=O)CC2 34a_100000055022_100011218213 [0,1,0,1,0,0|1,1,0]=4 1988 B16R2.1285 CSCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100011218213 [0,1,0,1,0,0|0,1,0]=3 1989 B16R2.1285 CSCOc1ccc2c(c1)NC(=O)CC2 34a_100000708604_100011218213 [0,1,0,1,0,0|1,1,0]=4 1990 B16R2.1285 CSCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100011218213 [0,1,0,1,0,0|0,1,0]=3 1991 B16R2.1285 CSCSc1ccc2c(c1)NC(=O)CC2 62a_100000763451_100011218213 [0,1,0,1,0,0|1,1,0]=4 1992 B16R2.1285 CSCSc1ccc2c(c1)NC(=O)CC2 62a_100011218213_100000763451 [0,1,0,1,0,0|1,1,0]=4 1993 B16R2.1285 CSCSc1cnc2c(c1)NC(=O)CO2 62a_100011218213_100000699640 [0,1,0,1,0,0|1,1,0]=4 1994 B16R2.1285 N#CCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100011215382 [0,1,0,1,0,0|2,0,0]=4 1995 B16R2.1285 O=C1COc2ccc(cc2N1)NCCF 2230a_100000230169_100011217306 [0,1,0,1,0,0|2,0,0]=4 1996 B16R2.1285 O=C1COc2ccc(cc2N1)NCCO 2230a_100000230169_100000211926 [0,1,0,1,0,0|2,0,0]=4 1997 B16R2.1285 O=C1COc2ccc(cc2N1)OCCF 34a_100009876821_100011217306 [0,1,0,1,0,0|2,0,0]=4 1998 B16R2.1285 O=C1COc2ccc(cc2N1)OCCO 34a_100009876821_100000211926 [0,1,0,1,0,0|2,0,0]=4 1999 B16R2.1285 O=CCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_200015260668 [0,1,0,1,0,0|2,0,0]=4 2000 B16R2.1285 O=CCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200009817547 [0,1,0,1,0,0|2,0,0]=4 2001 B16R2.33047 CCCCc1ccc(c2c1CC(=O)N2)F 271570a_100020621405_100012355367 [0,1,0,1,0,0|2,0,0]=4 2002 B16R2.33047 CCCSc1ccc(c2c1CC(=O)N2)F 62a_100000210303_100012355367 [0,1,0,1,0,0|2,0,0]=4 2003 B16R2.33047 COCSc1ccc(c2c1CC(=O)N2)F 62a_100000766300_100012355367 [0,1,0,1,0,0|1,0,0]=3 2004 B16R2.33047 CSCSc1ccc(c2c1CC(=O)N2)F 62a_100011218213_100012355367 [0,1,0,1,0,0|1,1,0]=4 2005 B16R2.21673 CC=Cc1cc(c2c(c1)NC(=O)CO2)C 271570a_100016259895_100012356449 [0,1,0,1,0,0|1,0,1]=4 2006 B16R2.21673 CC=Cc1cc(c2c(c1)NC(=O)CO2)F 271570a_100016259895_100012356450 [0,1,0,1,0,0|1,0,1]=4 2007 B16R2.21673 CCSc1cc(c2c(c1)NC(=O)CO2)C 62a_100000210202_100012356449 [0,1,0,1,0,0|2,0,0]=4 2008 B16R2.21673 CCSc1cc(c2c(c1)NC(=O)CO2)F 62a_100012356450_100000210202 [0,1,0,1,0,0|2,0,0]=4 2009 B16R2.137727 CC(=O)Nc1cc(c(cc1F)F)C2CC2 271570a_100011220607_200013902858 [0,1,0,1,0,0|2,0,0]=4 2010 B16R2.28261 CC=Cc1ccc2c(c1)N(C(=O)CO2)C 271570a_100016259895_100010196913 [0,1,0,1,0,0|1,0,1]=4 2011 B16R2.28261 CCNc1ccc2c(c1)N(C(=O)CO2)C 2230a_100000765360_100000210202 [0,1,0,1,0,0|2,0,0]=4 2012 B16R2.28261 CCNc1ccc2c(c1)N(C(=O)CO2)C 34a_100000765360_100000210202 [0,1,0,1,0,0|2,0,0]=4 2013 B16R2.28261 CCSc1ccc2c(c1)N(C(=O)CO2)C 62a_100010196913_100000210202 [0,1,0,1,0,0|2,0,0]=4 2014 B16R2.1579 C=Cc1cc2c(cc1NC(=O)C)CCC2 271570a_100011290941_100010204489 [0,1,0,1,0,0|2,0,0]=4 2015 B16R2.1579 CC(=O)Nc1cc2c(cc1S[13CH3])CCC2 62a_100010204489_200025704644 [0,1,0,1,0,0|1,1,0]=4 2016 B16R2.1579 CC(=O)Nc1cc2c(cc1S[13CH3])CCC2 62a_200025704644_100010204489 [0,1,0,1,0,0|1,1,0]=4 2017 B16R2.1579 CSc1cc2c(cc1NC(=O)C)CCC2 62a_100010204489_200000210301 [0,1,0,1,0,0|1,1,0]=4 2018 B16R2.1579 CSc1cc2c(cc1NC(=O)C)CCC2 62a_200000210301_100010204489 [0,1,0,1,0,0|1,1,0]=4 2019 B16R2.58748 COc1ccc(cc1CC(=O)C)C2CC2 271570a_100011220607_200011493461 [0,1,0,1,0,0|2,0,0]=4 2020 B16R2.58748 COc1ccc(cc1NC(=O)C)C2CC2 271570a_100011220607_200011407902 [0,1,0,1,0,0|1,0,0]=3 2021 B16R2.58748 COc1ccc(cc1OC(=O)C)C2CC2 271570a_100011220607_200011016479 [0,1,0,1,0,0|2,0,0]=4 2022 B16R2.50655 CCC(=O)Nc1cc(ccc1F)C2CC2 11a_102516457221_100000210414 [0,1,0,1,0,0|2,0,0]=4 2023 B16R2.50655 CCC(=O)Nc1cc(ccc1F)C2CC2 1626a_102516457221_100000210414 [0,1,0,1,0,0|2,0,0]=4 2024 B16R2.50655 CCC(=O)Nc1cc(ccc1F)C2CC2 22a_102516457221_100000210414 [0,1,0,1,0,0|2,0,0]=4 2025 B16R2.50655 CCC(=O)Nc1cc(ccc1F)C2CC2 527a_102516457221_100000210414 [0,1,0,1,0,0|2,0,0]=4 2026 B16R2.50655 CNC(=O)Nc1cc(ccc1F)C2CC2 2430a_102516457221_100102657272 [0,1,0,1,0,0|2,0,0]=4 2027 B16R2.50655 COC(=O)Cc1cc(ccc1O)C2CC2 271570a_100011220607_100010185610 [0,1,0,1,0,0|2,0,0]=4 2028 B16R2.50655 O=C(CO)Nc1cc(ccc1F)C2CC2 22a_102516457221_100000210174 [0,1,0,1,0,0|2,0,0]=4 2029 B16R2.50655 O=C(CO)Nc1cc(ccc1F)C2CC2 527a_102516457221_100000210174 [0,1,0,1,0,0|2,0,0]=4 2030 B16R2.50969 CC=Cc1ccc2c(c1)NC(=O)C(O2)C 271570a_100016259895_100000745501 [0,1,0,1,0,0|1,0,1]=4 2031 B16R2.50969 CCSc1ccc2c(c1)NC(=O)C(O2)C 62a_100000210202_100000745501 [0,1,0,1,0,0|2,0,0]=4 2032 B16R2.169905 CCC(=O)Nc1c(ccc2c1CCC2)Br 11a_202495424074_100000210414 [0,1,0,1,0,0|2,0,0]=4 2033 B16R2.169905 CCC(=O)Nc1c(ccc2c1CCC2)Br 1626a_202495424074_100000210414 [0,1,0,1,0,0|2,0,0]=4 2034 B16R2.169905 CCC(=O)Nc1c(ccc2c1CCC2)C 11a_202495413831_100000210414 [0,1,0,1,0,0|2,0,0]=4 2035 B16R2.169905 CCC(=O)Nc1c(ccc2c1CCC2)C 1626a_202495413831_100000210414 [0,1,0,1,0,0|2,0,0]=4 2036 B16R2.169905 CCC(=O)Nc1c(ccc2c1CCC2)C 22a_202495413831_100000210414 [0,1,0,1,0,0|2,0,0]=4 2037 B16R2.169905 CNC(=O)Nc1c(ccc2c1CCC2)C 2430a_202495413831_100102657272 [0,1,0,1,0,0|2,0,0]=4 2038 B16R2.169905 Cc1ccc2c(c1NC(=O)CO)CCC2 22a_202495413831_100000210174 [0,1,0,1,0,0|2,0,0]=4 2039 B16R2.28224 CC=Cc1ccc2c(c1C)NC(=O)CO2 271570a_100016259895_100010272156 [0,1,0,1,0,0|1,0,1]=4 2040 B16R3.10767 O=C1CCc2ccc(cc2N1)C3CC3 271570a_100011220607_100000763451 [0,0,0,2,0,0|2,0,0]=4 2041 B16R3.10767 O=C1COc2ccc(cc2N1)C3CC3 271570a_100011220607_100000244627 [0,0,0,2,0,0|1,0,0]=3 2042 B16R3.10767 O=C1COc2ccc(nc2N1)C3CC3 271570a_100011220607_100010235088 [0,0,0,2,0,0|2,0,0]=4 2043 B16R3.10767 O=C1COc2ncc(cc2N1)C3CC3 271570a_100011220607_100000699640 [0,0,0,2,0,0|2,0,0]=4 2044 B16R3.10767 O=C1CSc2ccc(cc2N1)C3CC3 271570a_100011220607_100012361575 [0,0,0,2,0,0|1,1,0]=4 2045 B16R3.197660 O=C1Cc2c(ccc(c2N1)F)C3CC3 271570a_100011220607_100012355367 [0,0,0,2,0,0|2,0,0]=4 2046 B12R1.453 C=C(C)c1cc(ccc1Br)OC 271570a_100000694244_100009992028 [1,0,0,0,1,0|2,0,0]=4 2047 B12R1.453 C=C(C)c1cc(ccc1C)CO 271570a_100000694244_100000050133 [1,0,0,0,1,0|2,0,0]=4 2048 B12R1.453 C=C(C)c1cc(ccc1C)OC 271570a_100000694244_100012349166 [1,0,0,0,1,0|2,0,0]=4 2049 B12R1.453 C=C(C)c1cc(ccc1Cl)OC 271570a_100000694244_100011356938 [1,0,0,0,1,0|2,0,0]=4 2050 B12R1.453 C=C(C)c1cc(ccc1F)CC 271570a_100000694244_200010244628 [1,0,0,0,1,0|2,0,0]=4 2051 B12R1.453 C=C(C)c1cc(ccc1F)CO 271570a_100000694244_100000246287 [1,0,0,0,1,0|2,0,0]=4 2052 B12R1.453 C=C(C)c1cc(ccc1F)OC 271570a_100000694244_100000699733 [1,0,0,0,1,0|2,0,0]=4 2053 B12R1.453 C=C(C)c1cc(ccc1N)CC 271570a_100000694244_100012339725 [1,0,0,0,1,0|2,0,0]=4 2054 B12R1.453 C=C(C)c1cc(ccc1N)OC 271570a_100000694244_100015195136 [1,0,0,0,1,0|2,0,0]=4 2055 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [1,0,0,0,1,0|1,0,0]=3 2056 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [1,0,0,0,1,0|1,0,0]=3 2057 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [1,0,0,0,1,0|1,0,0]=3 2058 B12R1.453 C=C(C)c1nc(ccc1O)CO 271570a_100000694244_200000118097 [1,0,0,0,1,0|2,0,0]=4 2059 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [1,0,0,0,1,0|0,0,2]=4 2060 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [1,0,0,0,1,0|1,0,0]=3 2061 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [1,0,0,0,1,0|1,1,0]=4 2062 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [1,0,0,0,1,0|1,0,0]=3 2063 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [1,0,0,0,1,0|1,0,0]=3 2064 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [1,0,0,0,1,0|1,1,0]=4 2065 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [1,0,0,0,1,0|1,0,0]=3 2066 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [1,0,0,0,1,0|1,0,0]=3 2067 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [1,0,0,0,1,0|1,1,0]=4 2068 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [1,0,0,0,1,0|1,1,0]=4 2069 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [1,0,0,0,1,0|1,1,0]=4 2070 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [1,0,0,0,1,0|1,0,1]=4 2071 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [1,0,0,0,1,0|0,0,0]=2 2072 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [1,0,0,0,1,0|0,0,0]=2 2073 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [1,0,0,0,1,0|0,0,0]=2 2074 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [1,0,0,0,1,0|1,0,0]=3 2075 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [1,0,0,0,1,0|1,0,0]=3 2076 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [1,0,0,0,1,0|1,0,0]=3 2077 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [1,0,0,0,1,0|1,0,0]=3 2078 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [1,0,0,0,1,0|1,0,0]=3 2079 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [1,0,0,0,1,0|1,0,0]=3 2080 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [1,0,0,0,1,0|1,0,0]=3 2081 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [1,0,0,0,1,0|1,0,0]=3 2082 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [1,0,0,0,1,0|1,0,0]=3 2083 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [1,0,0,0,1,0|0,0,0]=2 2084 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [1,0,0,0,1,0|0,0,0]=2 2085 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [1,0,0,0,1,0|1,0,0]=3 2086 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [1,0,0,0,1,0|1,0,0]=3 2087 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [1,0,0,0,1,0|1,0,0]=3 2088 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [1,0,0,0,1,0|1,0,0]=3 2089 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [1,0,0,0,1,0|1,0,0]=3 2090 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [1,0,0,0,1,0|1,0,0]=3 2091 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [1,0,0,0,1,0|0,0,0]=2 2092 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [1,0,0,0,1,0|1,0,1]=4 2093 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [1,0,0,0,1,0|1,1,0]=4 2094 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [1,0,0,0,1,0|1,1,0]=4 2095 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [1,0,0,0,1,0|1,1,0]=4 2096 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [1,0,0,0,1,0|1,1,0]=4 2097 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [1,0,0,0,1,0|1,1,0]=4 2098 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [1,0,0,0,1,0|1,1,0]=4 2099 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [1,0,0,0,1,0|1,1,0]=4 2100 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [1,0,0,0,1,0|1,1,0]=4 2101 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [1,0,0,0,1,0|1,1,0]=4 2102 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [1,0,0,0,1,0|1,1,0]=4 2103 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [1,0,0,0,1,0|1,0,0]=3 2104 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [1,0,0,0,1,0|1,0,1]=4 2105 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [1,0,0,0,1,0|0,0,0]=2 2106 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [1,0,0,0,1,0|1,1,0]=4 2107 B12R1.279 C=C(C)c1cccc(c1)CCC 271570a_100000694244_100000694964 [1,0,0,0,1,0|2,0,0]=4 2108 B12R1.279 C=C(C)c1cccc(c1)CNC 271570a_100000694244_100000187585 [1,0,0,0,1,0|2,0,0]=4 2109 B12R1.279 C=C(C)c1cccc(c1)COC 271570a_100000694244_100011493687 [1,0,0,0,1,0|1,0,0]=3 2110 B12R1.279 CC(=O)c1cccc(c1)CC#N 1458a_100000027370_200000210301 [1,0,0,0,1,0|2,0,0]=4 2111 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [1,0,0,0,1,0|2,0,0]=4 2112 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_100000084091_200025704644 [1,0,0,0,1,0|0,1,0]=3 2113 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000084091 [1,0,0,0,1,0|0,1,0]=3 2114 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [1,0,0,0,1,0|1,0,1]=4 2115 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [1,0,0,0,1,0|2,0,0]=4 2116 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [1,0,0,0,1,0|2,0,0]=4 2117 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [1,0,0,0,1,0|2,0,0]=4 2118 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [1,0,0,0,1,0|2,0,0]=4 2119 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [1,0,0,0,1,0|2,0,0]=4 2120 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [1,0,0,0,1,0|2,0,0]=4 2121 B12R1.279 CN(C)c1cccc(c1)CO[13CH3] 34a_100000759682_200025704644 [1,0,0,0,1,0|2,0,0]=4 2122 B12R1.279 CNCc1cccc(c1)C(=O)C 2230a_106832991635_100000084091 [1,0,0,0,1,0|1,0,0]=3 2123 B12R1.279 CNCc1cccc(c1)C(=O)C 26a_100102657272_100000211620 [1,0,0,0,1,0|1,0,0]=3 2124 B12R1.279 CNCc1cccc(c1)C(=O)C 34a_100102657272_100000084091 [1,0,0,0,1,0|1,0,0]=3 2125 B12R1.279 CNCc1cccc(c1)C(=O)C 7a_106832991635_100000084091 [1,0,0,0,1,0|1,0,0]=3 2126 B12R1.279 CNCc1cccc(c1)C(=O)N 207a_100102657272_100000059704 [1,0,0,0,1,0|2,0,0]=4 2127 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_100000746036_200000210301 [1,0,0,0,1,0|2,0,0]=4 2128 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_106832991635_100000738444 [1,0,0,0,1,0|2,0,0]=4 2129 B12R1.279 CNCc1cccc(c1)C(=O)N 270004a_106832991635_100000059704 [1,0,0,0,1,0|2,0,0]=4 2130 B12R1.279 CNCc1cccc(c1)C(=O)N 34a_100102657272_100000738444 [1,0,0,0,1,0|2,0,0]=4 2131 B12R1.279 CNCc1cccc(c1)C(=O)N 7a_106832991635_100000738444 [1,0,0,0,1,0|2,0,0]=4 2132 B12R1.279 CNCc1cccc(c1)C(=O)O 269956a_100000752609_200000210301 [1,0,0,0,1,0|2,0,0]=4 2133 B12R1.279 CNCc1cccc(c1)C(=O)[O-] 26a_100102657272_200020627138 [1,0,0,0,1,0|2,0,0]=4 2134 B12R1.279 COCc1cccc(c1)C(=O)C 1458a_100000199024_200000210301 [1,0,0,0,1,0|0,0,0]=2 2135 B12R1.279 COCc1cccc(c1)C(=O)C 34a_100138415774_100000084091 [1,0,0,0,1,0|0,0,0]=2 2136 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [1,0,0,0,1,0|1,0,0]=3 2137 B12R1.279 COCc1cccc(c1)C(=O)[13CH3] 1458a_100000199024_200025704644 [1,0,0,0,1,0|0,0,0]=2 2138 B12R1.279 COCc1cccc(c1)N(C)C 34a_100000759682_200000210301 [1,0,0,0,1,0|2,0,0]=4 2139 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [1,0,0,0,1,0|2,0,0]=4 2140 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [1,0,0,0,1,0|2,0,0]=4 2141 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [1,0,0,0,1,0|2,0,0]=4 2142 B12R1.279 COCc1cncc(c1)C(=O)N 34a_100138415774_200010162415 [1,0,0,0,1,0|2,0,0]=4 2143 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_100000084091_200000210301 [1,0,0,0,1,0|0,1,0]=3 2144 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_200000210301_100000084091 [1,0,0,0,1,0|0,1,0]=3 2145 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_100000738444_200000210301 [1,0,0,0,1,0|1,1,0]=4 2146 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_200000210301_100000738444 [1,0,0,0,1,0|1,1,0]=4 2147 B12R1.279 [13CH3]C(=O)c1cccc(c1)CC#N 1458a_100000027370_200025704644 [1,0,0,0,1,0|2,0,0]=4 2148 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [1,0,0,0,1,0|2,0,0]=4 2149 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)N 2230a_100000746036_200025704644 [1,0,0,0,1,0|2,0,0]=4 2150 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)O 269956a_100000752609_200025704644 [1,0,0,0,1,0|2,0,0]=4 2151 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [1,0,0,0,1,0|2,0,0]=4 2152 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [1,0,0,0,1,0|2,0,0]=4 2153 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_100000738444_200025704644 [1,0,0,0,1,0|1,1,0]=4 2154 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_200025704644_100000738444 [1,0,0,0,1,0|1,1,0]=4 2155 B14R1.2335 C=C(C)CNc1cc(ccc1Br)CO 34a_100012347568_100000748629 [1,0,0,0,0,1|2,0,0]=4 2156 B14R1.2335 C=C(C)CNc1cc(ccc1Br)OC 34a_100000748603_100000748629 [1,0,0,0,0,1|2,0,0]=4 2157 B14R1.2335 C=C(C)CNc1cc(ccc1C)CC 2230a_200012022522_100000748629 [1,0,0,0,0,1|2,0,0]=4 2158 B14R1.2335 C=C(C)CNc1cc(ccc1C)CC 34a_200012022522_100000748629 [1,0,0,0,0,1|2,0,0]=4 2159 B14R1.2335 C=C(C)CNc1cc(ccc1C)CC 7a_200012022522_100000748629 [1,0,0,0,0,1|2,0,0]=4 2160 B14R1.2335 C=C(C)CNc1cc(ccc1C)CO 2230a_100000758420_100000748629 [1,0,0,0,0,1|2,0,0]=4 2161 B14R1.2335 C=C(C)CNc1cc(ccc1C)CO 34a_100000758420_100000748629 [1,0,0,0,0,1|2,0,0]=4 2162 B14R1.2335 C=C(C)CNc1cc(ccc1C)OC 2230a_100000760359_100000748629 [1,0,0,0,0,1|2,0,0]=4 2163 B14R1.2335 C=C(C)CNc1cc(ccc1C)OC 34a_100000760359_100000748629 [1,0,0,0,0,1|2,0,0]=4 2164 B14R1.2335 C=C(C)CNc1cc(ccc1Cl)CO 34a_106256033963_100000748629 [1,0,0,0,0,1|2,0,0]=4 2165 B14R1.2335 C=C(C)CNc1cc(ccc1Cl)OC 34a_100000745576_100000748629 [1,0,0,0,0,1|2,0,0]=4 2166 B14R1.2335 C=C(C)CNc1cc(ccc1F)CO 2230a_102125399562_100000748629 [1,0,0,0,0,1|2,0,0]=4 2167 B14R1.2335 C=C(C)CNc1cc(ccc1F)CO 34a_102125399562_100000748629 [1,0,0,0,0,1|2,0,0]=4 2168 B14R1.2335 C=C(C)CNc1cc(ccc1F)OC 34a_100000764331_100000748629 [1,0,0,0,0,1|2,0,0]=4 2169 B14R1.2335 C=C(C)CNc1cc(ccc1I)OC 34a_100000748021_100000748629 [1,0,0,0,0,1|2,0,0]=4 2170 B14R1.2335 C=C(C)CNc1cc(ccc1O)CC 34a_100000765835_100000748629 [1,0,0,0,0,1|1,0,0]=3 2171 B14R1.2335 C=C(C)CNc1cc(ccc1O)CO 34a_100000123545_100000748629 [1,0,0,0,0,1|1,0,0]=3 2172 B14R1.2335 C=C(C)CNc1cc(ccc1O)OC 34a_100000188146_100000748629 [1,0,0,0,0,1|1,0,0]=3 2173 B14R1.2335 C=C(C)CSc1cc(ccc1O)CC 62a_100000748629_100012339963 [1,0,0,0,0,1|2,0,0]=4 2174 B14R1.2335 C=C(C)CSc1cc(ccc1O)CC 62a_100012339963_100000211660 [1,0,0,0,0,1|2,0,0]=4 2175 B14R1.2335 C=C(C)CSc1cc(ccc1O)CO 62a_100000748629_100011191544 [1,0,0,0,0,1|2,0,0]=4 2176 B14R1.2335 C=C(C)CSc1cc(ccc1O)CO 62a_100011191544_100000211660 [1,0,0,0,0,1|2,0,0]=4 2177 B14R1.2335 C=C(C)CSc1cc(ccc1O)OC 62a_100000748629_100000685887 [1,0,0,0,0,1|2,0,0]=4 2178 B14R1.2335 C=C(F)CNc1cc(ccc1O)CC 34a_100000765835_100009893438 [1,0,0,0,0,1|1,0,1]=4 2179 B14R1.2335 C=C(F)CNc1cc(ccc1O)CO 34a_100000123545_100009893438 [1,0,0,0,0,1|1,0,1]=4 2180 B14R1.2335 C=C(F)CNc1cc(ccc1O)OC 34a_100000188146_100009893438 [1,0,0,0,0,1|1,0,1]=4 2181 B14R1.2335 CC(C)CNc1cc(ccc1O)CO 34a_100000123545_100000210624 [1,0,0,0,0,1|1,0,1]=4 2182 B14R1.2335 CC(O)CNc1cc(ccc1O)CO 34a_100000123545_100011218427 [1,0,0,0,0,1|0,0,2]=4 2183 B14R1.2335 CCc1ccc(c(c1)NCC(=O)N)C 2230a_200012022522_100000747473 [1,0,0,0,0,1|2,0,0]=4 2184 B14R1.2335 CCc1ccc(c(c1)NCC(=O)N)C 34a_200012022522_100000187820 [1,0,0,0,0,1|2,0,0]=4 2185 B14R1.2335 CCc1ccc(c(c1)NCC(=O)N)C 7a_200012022522_100000187820 [1,0,0,0,0,1|2,0,0]=4 2186 B14R1.2335 CCc1ccc(c(c1)NCC(=O)N)O 34a_100000765835_100000187820 [1,0,0,0,0,1|1,0,0]=3 2187 B14R1.2335 CCc1ccc(c(c1)NCC(=O)[O-])C 34a_200012022522_100020667443 [1,0,0,0,0,1|2,0,0]=4 2188 B14R1.2335 CCc1ccc(c(c1)NCC(=O)[O-])O 34a_100000765835_100020667443 [1,0,0,0,0,1|1,0,0]=3 2189 B14R1.2335 CCc1ccc(c(c1)NCC(C)C)O 34a_100000765835_100000210624 [1,0,0,0,0,1|1,0,1]=4 2190 B14R1.2335 CCc1ccc(c(c1)NCC(C)O)O 34a_100000765835_100011218427 [1,0,0,0,0,1|0,0,2]=4 2191 B14R1.2335 CCc1ccc(c(c1)NC[C@@H](C)O)O 34a_100000765835_100009817552 [1,0,0,0,0,1|0,0,2]=4 2192 B14R1.2335 CCc1ccc(c(c1)NC[N+](=O)[O-])O 34a_100000765835_100000761209 [1,0,0,0,0,1|2,0,0]=4 2193 B14R1.2335 CCc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100012339963 [1,0,0,0,0,1|2,0,0]=4 2194 B14R1.2335 CCc1ccc(c(c1)SCC(=O)N)O 62a_100012339963_100000747473 [1,0,0,0,0,1|2,0,0]=4 2195 B14R1.2335 CCc1ccc(c(c1)SCC(=O)[O-])O 62a_100012339963_100020667443 [1,0,0,0,0,1|2,0,0]=4 2196 B14R1.2335 CCc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100012339963 [1,0,0,0,0,1|2,0,0]=4 2197 B14R1.2335 COc1ccc(c(c1)CCC(=O)C)Br 1458a_200012259420_200000210301 [1,0,0,0,0,1|2,0,0]=4 2198 B14R1.2335 COc1ccc(c(c1)CCC(=O)[13CH3])Br 1458a_200012259420_200025704644 [1,0,0,0,0,1|2,0,0]=4 2199 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)Br 11a_100000741592_100015343762 [1,0,0,0,0,1|1,0,0]=3 2200 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)Br 1626a_100000741592_100015343762 [1,0,0,0,0,1|1,0,0]=3 2201 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)Br 240690a_100000741592_100015343762 [1,0,0,0,0,1|1,0,0]=3 2202 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)Br 527a_100000741592_100103153847 [1,0,0,0,0,1|1,0,0]=3 2203 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 11a_100012180165_100015343762 [1,0,0,0,0,1|1,0,0]=3 2204 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 1626a_100012180165_100015343762 [1,0,0,0,0,1|1,0,0]=3 2205 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 240690a_100012180165_100015343762 [1,0,0,0,0,1|1,0,0]=3 2206 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 527a_100012180165_100103153847 [1,0,0,0,0,1|1,0,0]=3 2207 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)F 11a_100016995475_100015343762 [1,0,0,0,0,1|1,0,0]=3 2208 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)F 1626a_100016995475_100015343762 [1,0,0,0,0,1|1,0,0]=3 2209 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)F 240690a_100016995475_100015343762 [1,0,0,0,0,1|1,0,0]=3 2210 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)F 527a_100016995475_100103153847 [1,0,0,0,0,1|1,0,0]=3 2211 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)Br 34a_100000748603_100000187820 [1,0,0,0,0,1|2,0,0]=4 2212 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)C 2230a_100000760359_100000747473 [1,0,0,0,0,1|2,0,0]=4 2213 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)C 34a_100000760359_100000187820 [1,0,0,0,0,1|2,0,0]=4 2214 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)Cl 34a_100000745576_100000187820 [1,0,0,0,0,1|2,0,0]=4 2215 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)F 34a_100000764331_100000187820 [1,0,0,0,0,1|2,0,0]=4 2216 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)I 34a_100000748021_100000187820 [1,0,0,0,0,1|2,0,0]=4 2217 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)O 34a_100000188146_100000187820 [1,0,0,0,0,1|1,0,0]=3 2218 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])Br 34a_100000748603_100020667443 [1,0,0,0,0,1|2,0,0]=4 2219 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])C 34a_100000760359_100020667443 [1,0,0,0,0,1|2,0,0]=4 2220 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])Cl 34a_100000745576_100020667443 [1,0,0,0,0,1|2,0,0]=4 2221 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])F 34a_100000764331_100020667443 [1,0,0,0,0,1|2,0,0]=4 2222 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])I 34a_100000748021_100020667443 [1,0,0,0,0,1|2,0,0]=4 2223 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])O 34a_100000188146_100020667443 [1,0,0,0,0,1|1,0,0]=3 2224 B14R1.2335 COc1ccc(c(c1)NCC(C)C)O 34a_100000188146_100000210624 [1,0,0,0,0,1|1,0,1]=4 2225 B14R1.2335 COc1ccc(c(c1)NCC(C)O)O 34a_100000188146_100011218427 [1,0,0,0,0,1|0,0,2]=4 2226 B14R1.2335 COc1ccc(c(c1)NC[C@@H](C)O)O 34a_100000188146_100009817552 [1,0,0,0,0,1|0,0,2]=4 2227 B14R1.2335 COc1ccc(c(c1)NC[N+](=O)[O-])O 34a_100000188146_100000761209 [1,0,0,0,0,1|2,0,0]=4 2228 B14R1.2335 COc1ccc(c(c1)NNC(=O)C)Cl 22a_200000763216_100000070787 [1,0,0,0,0,1|1,0,0]=3 2229 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000685887 [1,0,0,0,0,1|2,0,0]=4 2230 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000685887 [1,0,0,0,0,1|2,0,0]=4 2231 B14R1.2335 COc1ccc(c(n1)CNC(=O)C)Cl 11a_100011639525_100015343762 [1,0,0,0,0,1|2,0,0]=4 2232 B14R1.2335 COc1ccc(c(n1)CNC(=O)C)Cl 1626a_100011639525_100015343762 [1,0,0,0,0,1|2,0,0]=4 2233 B14R1.2335 COc1ccc(c(n1)CNC(=O)C)Cl 240690a_100011639525_100015343762 [1,0,0,0,0,1|2,0,0]=4 2234 B14R1.2335 COc1ccc(c(n1)CNC(=O)C)Cl 527a_100011639525_100103153847 [1,0,0,0,0,1|2,0,0]=4 2235 B14R1.2335 C[C@@H](O)CNc1cc(ccc1O)CO 34a_100000123545_100009817552 [1,0,0,0,0,1|0,0,2]=4 2236 B14R1.2335 Cc1ccc(cc1NCC(=O)N)CO 2230a_100000758420_100000747473 [1,0,0,0,0,1|2,0,0]=4 2237 B14R1.2335 Cc1ccc(cc1NCC(=O)N)CO 34a_100000758420_100000187820 [1,0,0,0,0,1|2,0,0]=4 2238 B14R1.2335 Cc1ccc(cc1NCC(=O)[O-])CO 34a_100000758420_100020667443 [1,0,0,0,0,1|2,0,0]=4 2239 B14R1.2335 NC(=O)CNc1cc(ccc1Br)CO 34a_100012347568_100000187820 [1,0,0,0,0,1|2,0,0]=4 2240 B14R1.2335 NC(=O)CNc1cc(ccc1Cl)CO 34a_106256033963_100000187820 [1,0,0,0,0,1|2,0,0]=4 2241 B14R1.2335 NC(=O)CNc1cc(ccc1F)CO 2230a_102125399562_100000747473 [1,0,0,0,0,1|2,0,0]=4 2242 B14R1.2335 NC(=O)CNc1cc(ccc1F)CO 34a_102125399562_100000187820 [1,0,0,0,0,1|2,0,0]=4 2243 B14R1.2335 NC(=O)CNc1cc(ccc1O)CO 34a_100000123545_100000187820 [1,0,0,0,0,1|1,0,0]=3 2244 B14R1.2335 NC(=O)CSc1cc(ccc1O)CO 62a_100000747473_100011191544 [1,0,0,0,0,1|2,0,0]=4 2245 B14R1.2335 NC(=O)CSc1cc(ccc1O)CO 62a_100011191544_100000747473 [1,0,0,0,0,1|2,0,0]=4 2246 B14R1.2335 O=C([O-])CNc1cc(ccc1Br)CO 34a_100012347568_100020667443 [1,0,0,0,0,1|2,0,0]=4 2247 B14R1.2335 O=C([O-])CNc1cc(ccc1Cl)CO 34a_106256033963_100020667443 [1,0,0,0,0,1|2,0,0]=4 2248 B14R1.2335 O=C([O-])CNc1cc(ccc1F)CO 34a_102125399562_100020667443 [1,0,0,0,0,1|2,0,0]=4 2249 B14R1.2335 O=C([O-])CNc1cc(ccc1O)CO 34a_100000123545_100020667443 [1,0,0,0,0,1|1,0,0]=3 2250 B14R1.2335 O=C([O-])CSc1cc(ccc1O)CO 62a_100011191544_100020667443 [1,0,0,0,0,1|2,0,0]=4 2251 B14R1.2335 O=C([O-])CSc1cc(ccc1O)CO 62a_100020667443_100011191544 [1,0,0,0,0,1|2,0,0]=4 2252 B14R1.2335 O=[N+]([O-])CNc1cc(ccc1O)CO 34a_100000123545_100000761209 [1,0,0,0,0,1|2,0,0]=4 2253 B14R1.468 C=C(C)CNc1cccc(c1)COC 2230a_100000737370_100000748629 [1,0,0,0,0,1|1,0,0]=3 2254 B14R1.468 C=C(C)CNc1cccc(c1)COC 34a_100000737370_100000748629 [1,0,0,0,0,1|1,0,0]=3 2255 B14R1.468 C=C(C)COc1cccc(c1)COC 34a_200011232702_200000210301 [1,0,0,0,0,1|2,0,0]=4 2256 B14R1.468 C=C(C)COc1cccc(c1)COC 7a_200011232702_200000210301 [1,0,0,0,0,1|2,0,0]=4 2257 B14R1.468 C=C(C)COc1cccc(c1)CO[13CH3] 34a_200011232702_200025704644 [1,0,0,0,0,1|2,0,0]=4 2258 B14R1.468 C=C(C)COc1cccc(c1)CO[13CH3] 7a_200011232702_200025704644 [1,0,0,0,0,1|2,0,0]=4 2259 B14R1.468 C=C(C)CSc1cccc(c1)COC 62a_100000748629_100011493687 [1,0,0,0,0,1|2,0,0]=4 2260 B14R1.468 C=C(C)CSc1cccc(c1)COC 62a_100011493687_100000211660 [1,0,0,0,0,1|2,0,0]=4 2261 B14R1.468 C=C(F)CNc1cccc(c1)COC 2230a_100000737370_100009893438 [1,0,0,0,0,1|1,0,1]=4 2262 B14R1.468 C=C(F)CNc1cccc(c1)COC 34a_100000737370_100009893438 [1,0,0,0,0,1|1,0,1]=4 2263 B14R1.468 CC=Cc1cccc(c1)CNC(=O)C 271570a_100016259895_100000766983 [1,0,0,0,0,1|1,0,1]=4 2264 B14R1.468 CCOc1cccc(c1)CNC(=O)C 11a_106359896916_100015343762 [1,0,0,0,0,1|2,0,0]=4 2265 B14R1.468 CCOc1cccc(c1)CNC(=O)C 1626a_106359896916_100015343762 [1,0,0,0,0,1|2,0,0]=4 2266 B14R1.468 CCOc1cccc(c1)CNC(=O)C 240690a_106359896916_100015343762 [1,0,0,0,0,1|2,0,0]=4 2267 B14R1.468 CCOc1cccc(c1)CNC(=O)C 527a_106359896916_100103153847 [1,0,0,0,0,1|2,0,0]=4 2268 B14R1.468 CCSc1cccc(c1)CNC(=O)C 62a_100000210202_100000766983 [1,0,0,0,0,1|2,0,0]=4 2269 B14R1.468 CCSc1cccc(c1)CNC(=O)C 62a_100000766983_100000210202 [1,0,0,0,0,1|2,0,0]=4 2270 B14R1.468 COCc1cccc(c1)NCC(=O)N 2230a_100000737370_100000747473 [1,0,0,0,0,1|1,0,0]=3 2271 B14R1.468 COCc1cccc(c1)NCC(=O)N 34a_100000737370_100000187820 [1,0,0,0,0,1|1,0,0]=3 2272 B14R1.468 COCc1cccc(c1)NCC(=O)[O-] 34a_100000737370_100020667443 [1,0,0,0,0,1|1,0,0]=3 2273 B14R1.468 COCc1cccc(c1)NCC(C)C 2230a_100000737370_100000210760 [1,0,0,0,0,1|1,0,1]=4 2274 B14R1.468 COCc1cccc(c1)NCC(C)C 34a_100000737370_100000210624 [1,0,0,0,0,1|1,0,1]=4 2275 B14R1.468 COCc1cccc(c1)NCC(C)O 2230a_100000737370_100011218427 [1,0,0,0,0,1|0,0,2]=4 2276 B14R1.468 COCc1cccc(c1)NCC(C)O 34a_100000737370_100011218427 [1,0,0,0,0,1|0,0,2]=4 2277 B14R1.468 COCc1cccc(c1)NC[C@@H](C)O 2230a_100000737370_100009817552 [1,0,0,0,0,1|0,0,2]=4 2278 B14R1.468 COCc1cccc(c1)NC[C@@H](C)O 34a_100000737370_100009817552 [1,0,0,0,0,1|0,0,2]=4 2279 B14R1.468 COCc1cccc(c1)NC[N+](=O)[O-] 34a_100000737370_100000761209 [1,0,0,0,0,1|2,0,0]=4 2280 B14R1.468 COCc1cccc(c1)SCC(=O)N 62a_100000747473_100011493687 [1,0,0,0,0,1|2,0,0]=4 2281 B14R1.468 COCc1cccc(c1)SCC(=O)N 62a_100011493687_100000747473 [1,0,0,0,0,1|2,0,0]=4 2282 B14R1.468 COCc1cccc(c1)SCC(=O)[O-] 62a_100011493687_100020667443 [1,0,0,0,0,1|2,0,0]=4 2283 B14R1.468 COCc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011493687 [1,0,0,0,0,1|2,0,0]=4 2284 B14R1.6721 COCc1ccc(cc1NC(=O)C)Br 11a_100013084866_100015343762 [0,0,0,0,1,1|1,0,0]=3 2285 B14R1.6721 COCc1ccc(cc1NC(=O)C)Br 1626a_100013084866_100015343762 [0,0,0,0,1,1|1,0,0]=3 2286 B14R1.6721 COCc1ccc(cc1NC(=O)C)Br 22a_100013084866_100000070787 [0,0,0,0,1,1|1,0,0]=3 2287 B14R1.6721 COCc1ccc(cc1NC(=O)C)Br 527a_100013084866_100103153847 [0,0,0,0,1,1|1,0,0]=3 2288 B16R1.13483 C=C(C)CCNc1cc(ccc1Br)COC 34a_200013033220_100000730704 [0,0,0,0,0,2|2,0,0]=4 2289 B16R1.13483 COCc1ccc(c(c1)NCC=C(C)C)Br 34a_200013033220_100000761012 [0,0,0,0,0,2|2,0,0]=4 2290 B16R1.13483 COCc1ccc(c(c1)NCCC(=O)N)Br 34a_200013033220_100000731001 [0,0,0,0,0,2|2,0,0]=4 2291 B16R1.13483 COCc1ccc(c(c1)NCOC(=O)C)Br 34a_200013033220_100009813279 [0,0,0,0,0,2|1,0,0]=3 2292 B16R1.13483 COCc1ccc(c(c1)SCCC(=O)C)C 62a_100000053229_200015395492 [0,0,0,0,0,2|2,0,0]=4 2293 B16R1.13483 COCc1ccc(c(c1)SCCC(=O)C)C 62a_200015395492_100000053229 [0,0,0,0,0,2|2,0,0]=4 2294 B16R1.13483 COCc1ccc(c(c1)SCCC(=O)C)F 62a_100000053229_200011493689 [0,0,0,0,0,2|2,0,0]=4 2295 B16R1.13483 COCc1ccc(c(c1)SCCC(=O)C)F 62a_200011493689_100000053229 [0,0,0,0,0,2|2,0,0]=4 2296 B16R1.13483 COCc1ccc(c(c1)SCOC(=O)C)C 62a_100000076356_200015395492 [0,0,0,0,0,2|2,0,0]=4 2297 B16R1.13483 COCc1ccc(c(c1)SCOC(=O)C)C 62a_200015395492_100000076356 [0,0,0,0,0,2|2,0,0]=4 2298 B16R1.13483 COCc1ccc(c(c1)SCOC(=O)C)F 62a_100000076356_200011493689 [0,0,0,0,0,2|2,0,0]=4 2299 B16R1.13483 COCc1ccc(c(c1)SCOC(=O)C)F 62a_200011493689_100000076356 [0,0,0,0,0,2|2,0,0]=4 2300 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [3,0,0,0,0,0|1,0,0]=4 2301 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [3,0,0,0,0,0|1,0,0]=4 2302 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [3,0,0,0,0,0|1,0,0]=4 2303 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [3,0,0,0,0,0|1,0,0]=4 2304 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [3,0,0,0,0,0|1,0,0]=4 2305 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [3,0,0,0,0,0|1,0,0]=4 2306 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [3,0,0,0,0,0|1,0,0]=4 2307 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [3,0,0,0,0,0|1,0,0]=4 2308 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [3,0,0,0,0,0|1,0,0]=4 2309 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [3,0,0,0,0,0|1,0,0]=4 2310 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [3,0,0,0,0,0|1,0,0]=4 2311 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [3,0,0,0,0,0|1,0,0]=4 2312 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [3,0,0,0,0,0|1,0,0]=4 2313 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [3,0,0,0,0,0|1,0,0]=4 2314 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [3,0,0,0,0,0|1,0,0]=4 2315 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [3,0,0,0,0,0|1,0,0]=4 2316 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [3,0,0,0,0,0|1,0,0]=4 2317 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [3,0,0,0,0,0|1,0,0]=4 2318 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [3,0,0,0,0,0|0,0,0]=3 2319 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [3,0,0,0,0,0|0,0,0]=3 2320 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [3,0,0,0,0,0|0,0,0]=3 2321 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [3,0,0,0,0,0|1,0,0]=4 2322 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [3,0,0,0,0,0|1,0,0]=4 2323 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [3,0,0,0,0,0|1,0,0]=4 2324 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [3,0,0,0,0,0|1,0,0]=4 2325 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [3,0,0,0,0,0|1,0,0]=4 2326 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [3,0,0,0,0,0|1,0,0]=4 2327 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [3,0,0,0,0,0|1,0,0]=4 2328 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [3,0,0,0,0,0|1,0,0]=4 2329 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [3,0,0,0,0,0|1,0,0]=4 2330 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [3,0,0,0,0,0|1,0,0]=4 2331 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [3,0,0,0,0,0|1,0,0]=4 2332 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [3,0,0,0,0,0|1,0,0]=4 2333 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [3,0,0,0,0,0|1,0,0]=4 2334 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [3,0,0,0,0,0|1,0,0]=4 2335 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [3,0,0,0,0,0|0,0,0]=3 2336 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [3,0,0,0,0,0|0,0,0]=3 2337 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [3,0,0,0,0,0|0,0,0]=3 2338 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [3,0,0,0,0,0|0,0,0]=3 2339 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [3,0,0,0,0,0|1,0,0]=4 2340 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [3,0,0,0,0,0|1,0,0]=4 2341 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [3,0,0,0,0,0|1,0,0]=4 2342 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [3,0,0,0,0,0|1,0,0]=4 2343 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [3,0,0,0,0,0|1,0,0]=4 2344 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [3,0,0,0,0,0|1,0,0]=4 2345 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [3,0,0,0,0,0|1,0,0]=4 2346 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [3,0,0,0,0,0|1,0,0]=4 2347 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [3,0,0,0,0,0|1,0,0]=4 2348 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [3,0,0,0,0,0|1,0,0]=4 2349 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [3,0,0,0,0,0|1,0,0]=4 2350 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [3,0,0,0,0,0|0,0,0]=3 2351 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [3,0,0,0,0,0|0,0,0]=3 2352 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [3,0,0,0,0,0|0,0,0]=3 2353 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [3,0,0,0,0,0|0,0,0]=3 2354 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [3,0,0,0,0,0|1,0,0]=4 2355 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [3,0,0,0,0,0|1,0,0]=4 2356 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [3,0,0,0,0,0|1,0,0]=4 2357 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [3,0,0,0,0,0|1,0,0]=4 2358 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [3,0,0,0,0,0|1,0,0]=4 2359 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [3,0,0,0,0,0|1,0,0]=4 2360 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [3,0,0,0,0,0|1,0,0]=4 2361 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [3,0,0,0,0,0|1,0,0]=4 2362 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [3,0,0,0,0,0|1,0,0]=4 2363 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [3,0,0,0,0,0|0,0,1]=4 2364 B11R1.189 C=Cc1cccc(c1)COC 271570a_100011290941_100011493687 [3,0,0,0,0,0|0,0,1]=4 2365 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [3,0,0,0,0,0|1,0,0]=4 2366 B11R1.189 CC=Cc1cccc(c1)CO 271570a_100016259895_100000687537 [3,0,0,0,0,0|1,0,0]=4 2367 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [3,0,0,0,0,0|1,0,0]=4 2368 B11R1.189 CCNc1cccc(c1)CC 2230a_100000211250_100000210202 [3,0,0,0,0,0|0,0,1]=4 2369 B11R1.189 CCNc1cccc(c1)CC 34a_100000211250_100000210202 [3,0,0,0,0,0|0,0,1]=4 2370 B11R1.189 CCNc1cccc(c1)CC 7a_100000211250_100000210202 [3,0,0,0,0,0|0,0,1]=4 2371 B11R1.189 CCNc1cccc(c1)CO 2230a_100000211919_100000210202 [3,0,0,0,0,0|0,0,1]=4 2372 B11R1.189 CCNc1cccc(c1)CO 34a_100000211919_100000210202 [3,0,0,0,0,0|0,0,1]=4 2373 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [3,0,0,0,0,0|0,0,1]=4 2374 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [3,0,0,0,0,0|0,0,1]=4 2375 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [3,0,0,0,0,0|0,0,1]=4 2376 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [3,0,0,0,0,0|0,0,1]=4 2377 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [3,0,0,0,0,0|0,0,1]=4 2378 B11R1.189 CNCc1cccc(c1)C=O 2230a_106832991635_100009816774 [3,0,0,0,0,0|1,0,0]=4 2379 B11R1.189 CNCc1cccc(c1)C=O 34a_100102657272_100009816774 [3,0,0,0,0,0|1,0,0]=4 2380 B11R1.189 CNCc1cccc(c1)C=O 7a_106832991635_100009816774 [3,0,0,0,0,0|1,0,0]=4 2381 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [3,0,0,0,0,0|0,0,0]=3 2382 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [3,0,0,0,0,0|0,0,0]=3 2383 B11R1.189 COCc1cccc(c1)C=O 34a_100138415774_100009816774 [3,0,0,0,0,0|0,0,0]=3 2384 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [3,0,0,0,0,0|0,0,0]=3 2385 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [3,0,0,0,0,0|0,0,0]=3 2386 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [3,0,0,0,0,0|1,0,0]=4 2387 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [3,0,0,0,0,0|1,0,0]=4 2388 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [3,0,0,0,0,0|1,0,0]=4 2389 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [3,0,0,0,0,0|1,0,0]=4 2390 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [3,0,0,0,0,0|1,0,0]=4 2391 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [3,0,0,0,0,0|1,0,0]=4 2392 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [3,0,0,0,0,0|1,0,0]=4 2393 B11R1.189 CSCc1cccc(c1)C=O 62a_100009816774_200000210301 [3,0,0,0,0,0|0,1,0]=4 2394 B11R1.189 CSCc1cccc(c1)C=O 62a_200000210301_100009816774 [3,0,0,0,0,0|0,1,0]=4 2395 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_100009816774_200025704644 [3,0,0,0,0,0|0,1,0]=4 2396 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_200025704644_100009816774 [3,0,0,0,0,0|0,1,0]=4 2397 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [3,0,0,0,0,0|0,0,1]=4 2398 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [3,0,0,0,0,0|0,0,1]=4 2399 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [3,0,0,0,0,0|0,0,1]=4 2400 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [3,0,0,0,0,0|0,0,1]=4 2401 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [3,0,0,0,0,0|1,0,0]=4 2402 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [3,0,0,0,0,0|1,0,0]=4 2403 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [3,0,0,0,0,0|1,0,0]=4 2404 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [3,0,0,0,0,0|0,0,0]=3 2405 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [3,0,0,0,0,0|1,0,0]=4 2406 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [3,0,0,0,0,0|1,0,0]=4 2407 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [3,0,0,0,0,0|1,0,0]=4 2408 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [3,0,0,0,0,0|0,0,0]=3 2409 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [3,0,0,0,0,0|1,0,0]=4 2410 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [3,0,0,0,0,0|1,0,0]=4 2411 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [3,0,0,0,0,0|1,0,0]=4 2412 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [3,0,0,0,0,0|1,0,0]=4 2413 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [3,0,0,0,0,0|1,0,0]=4 2414 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [3,0,0,0,0,0|1,0,0]=4 2415 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [3,0,0,0,0,0|1,0,0]=4 2416 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [3,0,0,0,0,0|1,0,0]=4 2417 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [3,0,0,0,0,0|1,0,0]=4 2418 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [3,0,0,0,0,0|1,0,0]=4 2419 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [3,0,0,0,0,0|1,0,0]=4 2420 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [3,0,0,0,0,0|1,0,0]=4 2421 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [3,0,0,0,0,0|1,0,0]=4 2422 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [3,0,0,0,0,0|1,0,0]=4 2423 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [3,0,0,0,0,0|1,0,0]=4 2424 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [3,0,0,0,0,0|1,0,0]=4 2425 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [3,0,0,0,0,0|1,0,0]=4 2426 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [3,0,0,0,0,0|0,0,0]=3 2427 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [3,0,0,0,0,0|0,0,0]=3 2428 B11R1.280 COc1cc(c(cn1)O)C=O 271570a_203496583355_100010171658 [3,0,0,0,0,0|1,0,0]=4 2429 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [3,0,0,0,0,0|1,0,0]=4 2430 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [3,0,0,0,0,0|0,0,0]=3 2431 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [3,0,0,0,0,0|1,0,0]=4 2432 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [3,0,0,0,0,0|1,0,0]=4 2433 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [3,0,0,0,0,0|1,0,0]=4 2434 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [3,0,0,0,0,0|1,0,0]=4 2435 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [3,0,0,0,0,0|1,0,0]=4 2436 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [3,0,0,0,0,0|1,0,0]=4 2437 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [3,0,0,0,0,0|0,0,0]=3 2438 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [3,0,0,0,0,0|1,0,0]=4 2439 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [3,0,0,0,0,0|1,0,0]=4 2440 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [3,0,0,0,0,0|1,0,0]=4 2441 B11R1.280 COc1ccc(c(n1)C=O)O 271570a_203496583355_200010173843 [3,0,0,0,0,0|1,0,0]=4 2442 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [3,0,0,0,0,0|1,0,0]=4 2443 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [3,0,0,0,0,0|1,0,0]=4 2444 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [3,0,0,0,0,0|0,1,0]=4 2445 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [3,0,0,0,0,0|1,0,0]=4 2446 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [3,0,0,0,0,0|1,0,0]=4 2447 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [3,0,0,0,0,0|1,0,0]=4 2448 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [3,0,0,0,0,0|1,0,0]=4 2449 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [3,0,0,0,0,0|1,0,0]=4 2450 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [3,0,0,0,0,0|1,0,0]=4 2451 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [3,0,0,0,0,0|0,0,0]=3 2452 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [3,0,0,0,0,0|1,0,0]=4 2453 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [3,0,0,0,0,0|1,0,0]=4 2454 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [3,0,0,0,0,0|0,1,0]=4 2455 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [3,0,0,0,0,0|1,0,0]=4 2456 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [3,0,0,0,0,0|1,0,0]=4 2457 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [3,0,0,0,0,0|1,0,0]=4 2458 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [3,0,0,0,0,0|1,0,0]=4 2459 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [3,0,0,0,0,0|1,0,0]=4 2460 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [3,0,0,0,0,0|1,0,0]=4 2461 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [3,0,0,0,0,0|1,0,0]=4 2462 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [3,0,0,0,0,0|1,0,0]=4 2463 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [3,0,0,0,0,0|1,0,0]=4 2464 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [3,0,0,0,0,0|1,0,0]=4 2465 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [3,0,0,0,0,0|1,0,0]=4 2466 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [3,0,0,0,0,0|1,0,0]=4 2467 B11R1.192 COCc1ccc(c(c1)N)Br 34a_100012347568_200000210301 [3,0,0,0,0,0|1,0,0]=4 2468 B11R1.192 COCc1ccc(c(c1)N)C 34a_100000758420_200000210301 [3,0,0,0,0,0|1,0,0]=4 2469 B11R1.192 COCc1ccc(c(c1)N)Cl 34a_106256033963_200000210301 [3,0,0,0,0,0|1,0,0]=4 2470 B11R1.192 COCc1ccc(c(c1)N)F 34a_102125399562_200000210301 [3,0,0,0,0,0|1,0,0]=4 2471 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [3,0,0,0,0,0|0,0,0]=3 2472 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [3,0,0,0,0,0|1,0,0]=4 2473 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [3,0,0,0,0,0|1,0,0]=4 2474 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [3,0,0,0,0,0|1,0,0]=4 2475 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [3,0,0,0,0,0|1,0,0]=4 2476 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [3,0,0,0,0,0|1,0,0]=4 2477 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [3,0,0,0,0,0|1,0,0]=4 2478 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [3,0,0,0,0,0|1,0,0]=4 2479 B11R1.192 Cc1ccc(cc1N)CO[13CH3] 34a_100000758420_200025704644 [3,0,0,0,0,0|1,0,0]=4 2480 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Br 34a_100012347568_200025704644 [3,0,0,0,0,0|1,0,0]=4 2481 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Cl 34a_106256033963_200025704644 [3,0,0,0,0,0|1,0,0]=4 2482 B11R1.192 [13CH3]OCc1ccc(c(c1)N)F 34a_102125399562_200025704644 [3,0,0,0,0,0|1,0,0]=4 2483 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)C 11a_100009995518_100015343762 [2,1,0,0,0,0|1,0,0]=4 2484 B13R1.876 CC(=O)Nc1cc(c(cc1Br)Br)C 1626a_100009995518_100015343762 [2,1,0,0,0,0|1,0,0]=4 2485 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)C 11a_100012337760_100015343762 [2,1,0,0,0,0|1,0,0]=4 2486 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)C 1626a_100012337760_100015343762 [2,1,0,0,0,0|1,0,0]=4 2487 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)C 11a_100010233353_100015343762 [2,1,0,0,0,0|1,0,0]=4 2488 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)C 1626a_100010233353_100015343762 [2,1,0,0,0,0|1,0,0]=4 2489 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 11a_100011934712_100015343762 [2,1,0,0,0,0|1,0,0]=4 2490 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 1626a_100011934712_100015343762 [2,1,0,0,0,0|1,0,0]=4 2491 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 22a_100011934712_100000070787 [2,1,0,0,0,0|1,0,0]=4 2492 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)C 527a_100011934712_100103153847 [2,1,0,0,0,0|1,0,0]=4 2493 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)C 11a_100011217141_100015343762 [2,1,0,0,0,0|1,0,0]=4 2494 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)C 1626a_100011217141_100015343762 [2,1,0,0,0,0|1,0,0]=4 2495 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)C 22a_100011217141_100000070787 [2,1,0,0,0,0|1,0,0]=4 2496 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)C 11a_100011830454_100015343762 [2,1,0,0,0,0|1,0,0]=4 2497 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)C 1626a_100011830454_100015343762 [2,1,0,0,0,0|1,0,0]=4 2498 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)C 22a_100011830454_100000070787 [2,1,0,0,0,0|1,0,0]=4 2499 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)O 22a_100009961766_100000070787 [2,1,0,0,0,0|1,0,0]=4 2500 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 11a_100000720036_100015343762 [2,1,0,0,0,0|1,0,0]=4 2501 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 22a_100000720036_100000070787 [2,1,0,0,0,0|1,0,0]=4 2502 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 271570a_203496583355_100009992581 [2,1,0,0,0,0|1,0,0]=4 2503 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 527a_100000720036_100103153847 [2,1,0,0,0,0|1,0,0]=4 2504 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)C 11a_100012183282_100015343762 [2,1,0,0,0,0|1,0,0]=4 2505 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)C 1626a_100012183282_100015343762 [2,1,0,0,0,0|1,0,0]=4 2506 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)C 22a_100012183282_100000070787 [2,1,0,0,0,0|1,0,0]=4 2507 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)O 22a_100000092876_100000070787 [2,1,0,0,0,0|1,0,0]=4 2508 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)C 11a_100012000392_100015343762 [2,1,0,0,0,0|1,0,0]=4 2509 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)C 1626a_100012000392_100015343762 [2,1,0,0,0,0|1,0,0]=4 2510 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)C 11a_100000729549_100015343762 [2,1,0,0,0,0|1,0,0]=4 2511 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)C 1626a_100000729549_100015343762 [2,1,0,0,0,0|1,0,0]=4 2512 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)F)C 22a_100000729549_100000070787 [2,1,0,0,0,0|1,0,0]=4 2513 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)C 11a_100000691575_100015343762 [2,1,0,0,0,0|1,0,0]=4 2514 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)C 1626a_100000691575_100015343762 [2,1,0,0,0,0|1,0,0]=4 2515 B13R1.876 CC(=O)Nc1cc(c(cc1F)Br)C 22a_100000691575_100000070787 [2,1,0,0,0,0|1,0,0]=4 2516 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 22a_100000117193_100000070787 [2,1,0,0,0,0|1,0,0]=4 2517 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 527a_100000117193_100103153847 [2,1,0,0,0,0|1,0,0]=4 2518 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)C 11a_100000091823_100015343762 [2,1,0,0,0,0|1,0,0]=4 2519 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)C 1626a_100000091823_100015343762 [2,1,0,0,0,0|1,0,0]=4 2520 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)C 22a_100000091823_100000070787 [2,1,0,0,0,0|1,0,0]=4 2521 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)O 22a_100000042052_100000070787 [2,1,0,0,0,0|1,0,0]=4 2522 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 22a_100011219470_100000070787 [2,1,0,0,0,0|1,0,0]=4 2523 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 271570a_203496583355_200013902858 [2,1,0,0,0,0|1,0,0]=4 2524 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 527a_100011219470_100103153847 [2,1,0,0,0,0|1,0,0]=4 2525 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)C 11a_100012353678_100015343762 [2,1,0,0,0,0|1,0,0]=4 2526 B13R1.876 CC(=O)Nc1cc(c(cc1I)C)C 1626a_100012353678_100015343762 [2,1,0,0,0,0|1,0,0]=4 2527 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)C 11a_100010238302_100015343762 [2,1,0,0,0,0|1,0,0]=4 2528 B13R1.876 CC(=O)Nc1cc(c(cc1I)F)C 1626a_100010238302_100015343762 [2,1,0,0,0,0|1,0,0]=4 2529 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 22a_200010781931_100000070787 [2,1,0,0,0,0|1,0,0]=4 2530 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 527a_200010781931_100103153847 [2,1,0,0,0,0|1,0,0]=4 2531 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 22a_200010107346_100000070787 [2,1,0,0,0,0|0,0,0]=3 2532 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 527a_200010107346_100103153847 [2,1,0,0,0,0|0,0,0]=3 2533 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 22a_100013038943_100000070787 [2,1,0,0,0,0|1,0,0]=4 2534 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 527a_100013038943_100103153847 [2,1,0,0,0,0|1,0,0]=4 2535 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 22a_200010235796_100000070787 [2,1,0,0,0,0|1,0,0]=4 2536 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 527a_200010235796_100103153847 [2,1,0,0,0,0|1,0,0]=4 2537 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 22a_100133014134_100000070787 [2,1,0,0,0,0|0,0,0]=3 2538 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 271570a_203496583355_100010006330 [2,1,0,0,0,0|0,0,0]=3 2539 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 527a_100133014134_100103153847 [2,1,0,0,0,0|0,0,0]=3 2540 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 22a_100000091707_100000070787 [2,1,0,0,0,0|1,0,0]=4 2541 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 527a_100000091707_100103153847 [2,1,0,0,0,0|1,0,0]=4 2542 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 22a_100013488937_100000070787 [2,1,0,0,0,0|1,0,0]=4 2543 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 527a_100013488937_100103153847 [2,1,0,0,0,0|1,0,0]=4 2544 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 22a_100000696747_100000070787 [2,1,0,0,0,0|1,0,0]=4 2545 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 527a_100000696747_100103153847 [2,1,0,0,0,0|1,0,0]=4 2546 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 22a_100011011175_100000070787 [2,1,0,0,0,0|1,0,0]=4 2547 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 527a_100011011175_100103153847 [2,1,0,0,0,0|1,0,0]=4 2548 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 22a_100012359894_100000070787 [2,1,0,0,0,0|1,0,0]=4 2549 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 527a_100012359894_100103153847 [2,1,0,0,0,0|1,0,0]=4 2550 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 22a_100012022779_100000070787 [2,1,0,0,0,0|0,0,0]=3 2551 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 527a_100012022779_100103153847 [2,1,0,0,0,0|0,0,0]=3 2552 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 22a_106722365970_100000070787 [2,1,0,0,0,0|1,0,0]=4 2553 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 271570a_203496583355_100010198355 [2,1,0,0,0,0|1,0,0]=4 2554 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 527a_106722365970_100103153847 [2,1,0,0,0,0|1,0,0]=4 2555 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 22a_100013039247_100000070787 [2,1,0,0,0,0|1,0,0]=4 2556 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 527a_100013039247_100103153847 [2,1,0,0,0,0|1,0,0]=4 2557 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 11a_100000117417_100015343762 [2,1,0,0,0,0|1,0,0]=4 2558 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 1626a_100000117417_100015343762 [2,1,0,0,0,0|1,0,0]=4 2559 B13R1.885 CC(=O)Nc1c(ccc(c1C)C)C 22a_100000117417_100000070787 [2,1,0,0,0,0|1,0,0]=4 2560 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)C)Cl 11a_100000210993_100015343762 [2,1,0,0,0,0|1,0,0]=4 2561 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)C)F 11a_106744479701_100015343762 [2,1,0,0,0,0|1,0,0]=4 2562 B13R1.885 CC(=O)Nc1c(ccc(c1Cl)C)F 1626a_106744479701_100015343762 [2,1,0,0,0,0|1,0,0]=4 2563 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)Cl 11a_100000062009_100015343762 [2,1,0,0,0,0|1,0,0]=4 2564 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)Cl 1626a_100000062009_100015343762 [2,1,0,0,0,0|1,0,0]=4 2565 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)F 11a_102495364760_100015343762 [2,1,0,0,0,0|1,0,0]=4 2566 B13R1.885 CC(=O)Nc1c(ccc(c1F)C)F 1626a_102495364760_100015343762 [2,1,0,0,0,0|1,0,0]=4 2567 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 11a_102495365385_100015343762 [2,1,0,0,0,0|1,0,0]=4 2568 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 1626a_102495365385_100015343762 [2,1,0,0,0,0|1,0,0]=4 2569 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 22a_102495365385_100000070787 [2,1,0,0,0,0|1,0,0]=4 2570 B13R1.2816 CC(=O)Nc1cc(cc(c1C)Br)C 527a_102495365385_100103153847 [2,1,0,0,0,0|1,0,0]=4 2571 B13R1.2816 CC(=O)Nc1cc(cc(c1C)C)C 11a_100000035412_100015343762 [2,1,0,0,0,0|1,0,0]=4 2572 B13R1.2816 CC(=O)Nc1cc(cc(c1C)C)C 1626a_100000035412_100015343762 [2,1,0,0,0,0|1,0,0]=4 2573 B13R1.2816 CC(=O)Nc1cc(cc(c1C)C)C 22a_100000035412_100000070787 [2,1,0,0,0,0|1,0,0]=4 2574 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)C 11a_100010589139_100015343762 [2,1,0,0,0,0|1,0,0]=4 2575 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)C 1626a_100010589139_100015343762 [2,1,0,0,0,0|1,0,0]=4 2576 B13R1.2816 CC(=O)Nc1cc(cc(c1F)Br)C 22a_100010589139_100000070787 [2,1,0,0,0,0|1,0,0]=4 2577 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)C 11a_100021129147_100015343762 [2,1,0,0,0,0|1,0,0]=4 2578 B13R1.2816 CC(=O)Nc1cc(cc(c1I)F)C 1626a_100021129147_100015343762 [2,1,0,0,0,0|1,0,0]=4 2579 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 22a_100010781877_100000070787 [2,1,0,0,0,0|1,0,0]=4 2580 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 527a_100010781877_100103153847 [2,1,0,0,0,0|1,0,0]=4 2581 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 22a_106741647128_100000070787 [2,1,0,0,0,0|1,0,0]=4 2582 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 527a_106741647128_100103153847 [2,1,0,0,0,0|1,0,0]=4 2583 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 22a_200011217456_100000070787 [2,1,0,0,0,0|1,0,0]=4 2584 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 527a_200011217456_100103153847 [2,1,0,0,0,0|1,0,0]=4 2585 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 11a_100011825904_100015343762 [2,1,0,0,0,0|1,0,0]=4 2586 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 22a_100011825904_100000070787 [2,1,0,0,0,0|1,0,0]=4 2587 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 527a_100011825904_100103153847 [2,1,0,0,0,0|1,0,0]=4 2588 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 11a_100011216242_100015343762 [2,1,0,0,0,0|0,0,0]=3 2589 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 22a_100011216242_100000070787 [2,1,0,0,0,0|0,0,0]=3 2590 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 527a_100011216242_100103153847 [2,1,0,0,0,0|0,0,0]=3 2591 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 11a_100000130126_100015343762 [2,1,0,0,0,0|1,0,0]=4 2592 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 22a_100000130126_100000070787 [2,1,0,0,0,0|1,0,0]=4 2593 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 527a_100000130126_100103153847 [2,1,0,0,0,0|1,0,0]=4 2594 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 22a_100000694353_100000070787 [2,1,0,0,0,0|1,0,0]=4 2595 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 527a_100000694353_100103153847 [2,1,0,0,0,0|1,0,0]=4 2596 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 22a_100000695819_100000070787 [2,1,0,0,0,0|1,0,0]=4 2597 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 527a_100000695819_100103153847 [2,1,0,0,0,0|1,0,0]=4 2598 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 22a_100011217383_100000070787 [2,1,0,0,0,0|1,0,0]=4 2599 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 527a_100011217383_100103153847 [2,1,0,0,0,0|1,0,0]=4 2600 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 1626a_100015205836_100015343762 [2,1,0,0,0,0|1,0,0]=4 2601 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 22a_100015205836_100000070787 [2,1,0,0,0,0|1,0,0]=4 2602 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 527a_100015205836_100103153847 [2,1,0,0,0,0|1,0,0]=4 2603 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 22a_100016071998_100000070787 [2,1,0,0,0,0|1,0,0]=4 2604 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 527a_100016071998_100103153847 [2,1,0,0,0,0|1,0,0]=4 2605 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000185746 [2,1,0,0,0,0|0,0,1]=4 2606 B13R1.2872 CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000210202 [2,1,0,0,0,0|1,0,0]=4 2607 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100000210414 [2,1,0,0,0,0|1,0,0]=4 2608 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100000210414 [2,1,0,0,0,0|1,0,0]=4 2609 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000210414 [2,1,0,0,0,0|1,0,0]=4 2610 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100000210414 [2,1,0,0,0,0|1,0,0]=4 2611 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 11a_100000185781_100000210414 [2,1,0,0,0,0|1,0,0]=4 2612 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100000210414 [2,1,0,0,0,0|1,0,0]=4 2613 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000210414 [2,1,0,0,0,0|1,0,0]=4 2614 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000210414 [2,1,0,0,0,0|1,0,0]=4 2615 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 527a_100011216113_100000210414 [2,1,0,0,0,0|1,0,0]=4 2616 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100000210414 [2,1,0,0,0,0|1,0,0]=4 2617 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100000210414 [2,1,0,0,0,0|1,0,0]=4 2618 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000210414 [2,1,0,0,0,0|1,0,0]=4 2619 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100000210414 [2,1,0,0,0,0|1,0,0]=4 2620 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 11a_100000211285_100000210414 [2,1,0,0,0,0|1,0,0]=4 2621 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100000210414 [2,1,0,0,0,0|1,0,0]=4 2622 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000210414 [2,1,0,0,0,0|1,0,0]=4 2623 B13R1.2872 CCC(=O)Nc1cc(ccc1F)C 527a_100000211285_100000210414 [2,1,0,0,0,0|1,0,0]=4 2624 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000210414 [2,1,0,0,0,0|1,0,0]=4 2625 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000210414 [2,1,0,0,0,0|1,0,0]=4 2626 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 527a_100012017239_100000210414 [2,1,0,0,0,0|1,0,0]=4 2627 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C 11a_100011216686_100000210414 [2,1,0,0,0,0|1,0,0]=4 2628 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100000210414 [2,1,0,0,0,0|1,0,0]=4 2629 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000210414 [2,1,0,0,0,0|1,0,0]=4 2630 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100000210414 [2,1,0,0,0,0|1,0,0]=4 2631 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000210414 [2,1,0,0,0,0|0,0,0]=3 2632 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 527a_100011215204_100000210414 [2,1,0,0,0,0|0,0,0]=3 2633 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000210414 [2,1,0,0,0,0|1,0,0]=4 2634 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100000210414 [2,1,0,0,0,0|1,0,0]=4 2635 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000210414 [2,1,0,0,0,0|1,0,0]=4 2636 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 527a_100000759472_100000210414 [2,1,0,0,0,0|1,0,0]=4 2637 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000210414 [2,1,0,0,0,0|1,0,0]=4 2638 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 527a_100000753495_100000210414 [2,1,0,0,0,0|1,0,0]=4 2639 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)C 2430a_100000745044_100102657272 [2,1,0,0,0,0|1,0,0]=4 2640 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)O 2430a_100011999798_100102657272 [2,1,0,0,0,0|1,0,0]=4 2641 B13R1.2872 CNC(=O)Nc1cc(ccc1C)C 2430a_100000185781_100102657272 [2,1,0,0,0,0|1,0,0]=4 2642 B13R1.2872 CNC(=O)Nc1cc(ccc1C)O 2430a_100011216113_100102657272 [2,1,0,0,0,0|1,0,0]=4 2643 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)C 2430a_100011215360_100102657272 [2,1,0,0,0,0|1,0,0]=4 2644 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)O 2430a_100011934297_100102657272 [2,1,0,0,0,0|1,0,0]=4 2645 B13R1.2872 CNC(=O)Nc1cc(ccc1F)C 2430a_100000211285_100102657272 [2,1,0,0,0,0|1,0,0]=4 2646 B13R1.2872 CNC(=O)Nc1cc(ccc1F)O 2430a_100012017239_100102657272 [2,1,0,0,0,0|1,0,0]=4 2647 B13R1.2872 CNC(=O)Nc1cc(ccc1I)C 2430a_100011216686_100102657272 [2,1,0,0,0,0|1,0,0]=4 2648 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Br 2430a_100000752626_100102657272 [2,1,0,0,0,0|1,0,0]=4 2649 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [2,1,0,0,0,0|0,0,0]=3 2650 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Cl 2430a_100000210500_100102657272 [2,1,0,0,0,0|1,0,0]=4 2651 B13R1.2872 CNC(=O)Nc1cc(ccc1O)F 2430a_100000759472_100102657272 [2,1,0,0,0,0|1,0,0]=4 2652 B13R1.2872 CNC(=O)Nc1cc(ccc1O)I 2430a_100000753495_100102657272 [2,1,0,0,0,0|1,0,0]=4 2653 B13R1.2872 COC(=O)Cc1cc(ccc1O)O 271570a_203496583355_100010185610 [2,1,0,0,0,0|1,0,0]=4 2654 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C 22a_100000185781_100000210174 [2,1,0,0,0,0|1,0,0]=4 2655 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)Cl 22a_100011215360_100000210174 [2,1,0,0,0,0|1,0,0]=4 2656 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 22a_100000211285_100000210174 [2,1,0,0,0,0|1,0,0]=4 2657 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 527a_100000211285_100000210174 [2,1,0,0,0,0|1,0,0]=4 2658 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [2,1,0,0,0,0|0,0,0]=3 2659 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [2,1,0,0,0,0|0,0,0]=3 2660 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 22a_100011216113_100000210174 [2,1,0,0,0,0|1,0,0]=4 2661 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 527a_100011216113_100000210174 [2,1,0,0,0,0|1,0,0]=4 2662 B13R1.2872 O=C(CF)Cc1cc(ccc1O)O 1458a_100000038496_100015361967 [2,1,0,0,0,0|1,0,0]=4 2663 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 22a_100011999798_100000210174 [2,1,0,0,0,0|1,0,0]=4 2664 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 527a_100011999798_100000210174 [2,1,0,0,0,0|1,0,0]=4 2665 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)O 527a_100011934297_100000210174 [2,1,0,0,0,0|1,0,0]=4 2666 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 22a_100012017239_100000210174 [2,1,0,0,0,0|1,0,0]=4 2667 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 527a_100012017239_100000210174 [2,1,0,0,0,0|1,0,0]=4 2668 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 22a_100000752626_100000210174 [2,1,0,0,0,0|1,0,0]=4 2669 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 527a_100000752626_100000210174 [2,1,0,0,0,0|1,0,0]=4 2670 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 22a_100000210500_100000210174 [2,1,0,0,0,0|1,0,0]=4 2671 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 527a_100000210500_100000210174 [2,1,0,0,0,0|1,0,0]=4 2672 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 22a_100000759472_100000210174 [2,1,0,0,0,0|1,0,0]=4 2673 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 527a_100000759472_100000210174 [2,1,0,0,0,0|1,0,0]=4 2674 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 22a_100000753495_100000210174 [2,1,0,0,0,0|1,0,0]=4 2675 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 527a_100000753495_100000210174 [2,1,0,0,0,0|1,0,0]=4 2676 B13R1.3089 C=Cc1ccc(cc1NC(=O)C)C 271570a_100011290941_100000182586 [2,1,0,0,0,0|1,0,0]=4 2677 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)C 11a_100011218341_100015343762 [2,1,0,0,0,0|1,0,0]=4 2678 B13R1.3089 CC(=O)Nc1cc(ccc1C#N)C 1626a_100011218341_100015343762 [2,1,0,0,0,0|1,0,0]=4 2679 B13R1.3089 CC(=O)Nc1cc(ccc1CO)C 22a_100000087799_100000070787 [2,1,0,0,0,0|0,0,0]=3 2680 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 34a_100000035807_200025704644 [2,1,0,0,0,0|0,0,0]=3 2681 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 7a_100000035807_200025704644 [2,1,0,0,0,0|0,0,0]=3 2682 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 34a_100000012038_200025704644 [2,1,0,0,0,0|1,0,0]=4 2683 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 7a_100000012038_200025704644 [2,1,0,0,0,0|1,0,0]=4 2684 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 34a_100000070259_200025704644 [2,1,0,0,0,0|1,0,0]=4 2685 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 7a_100000070259_200025704644 [2,1,0,0,0,0|1,0,0]=4 2686 B13R1.3089 CC(=O)Nc1cc(ccc1S[13CH3])C 62a_200025704644_100000182586 [2,1,0,0,0,0|0,1,0]=4 2687 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000070787_100000199068 [2,1,0,0,0,0|1,0,0]=4 2688 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000204598_200000210301 [2,1,0,0,0,0|1,0,0]=4 2689 B13R1.3089 COc1ccc(cc1CC(=O)C)O 271570a_203496583355_200011493461 [2,1,0,0,0,0|1,0,0]=4 2690 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])C 1458a_100000204598_200025704644 [2,1,0,0,0,0|1,0,0]=4 2691 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 11a_100000743470_100015343762 [2,1,0,0,0,0|1,0,0]=4 2692 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 1626a_100000743470_100015343762 [2,1,0,0,0,0|1,0,0]=4 2693 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 22a_100000743470_100000070787 [2,1,0,0,0,0|1,0,0]=4 2694 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 527a_100000743470_100103153847 [2,1,0,0,0,0|1,0,0]=4 2695 B13R1.3089 COc1ccc(cc1NC(=O)C)C 11a_100000210980_100015343762 [2,1,0,0,0,0|0,0,0]=3 2696 B13R1.3089 COc1ccc(cc1NC(=O)C)C 1626a_100000210980_100015343762 [2,1,0,0,0,0|0,0,0]=3 2697 B13R1.3089 COc1ccc(cc1NC(=O)C)C 22a_100000210980_100000070787 [2,1,0,0,0,0|0,0,0]=3 2698 B13R1.3089 COc1ccc(cc1NC(=O)C)C 34a_100000035807_200000210301 [2,1,0,0,0,0|0,0,0]=3 2699 B13R1.3089 COc1ccc(cc1NC(=O)C)C 527a_100000210980_100103153847 [2,1,0,0,0,0|0,0,0]=3 2700 B13R1.3089 COc1ccc(cc1NC(=O)C)C 7a_100000035807_200000210301 [2,1,0,0,0,0|0,0,0]=3 2701 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 11a_100000182114_100015343762 [2,1,0,0,0,0|1,0,0]=4 2702 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 1626a_100000182114_100015343762 [2,1,0,0,0,0|1,0,0]=4 2703 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 22a_100000182114_100000070787 [2,1,0,0,0,0|1,0,0]=4 2704 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 34a_100000012038_200000210301 [2,1,0,0,0,0|1,0,0]=4 2705 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 7a_100000012038_200000210301 [2,1,0,0,0,0|1,0,0]=4 2706 B13R1.3089 COc1ccc(cc1NC(=O)C)F 11a_100000757179_100015343762 [2,1,0,0,0,0|1,0,0]=4 2707 B13R1.3089 COc1ccc(cc1NC(=O)C)F 1626a_100000757179_100015343762 [2,1,0,0,0,0|1,0,0]=4 2708 B13R1.3089 COc1ccc(cc1NC(=O)C)F 22a_100000757179_100000070787 [2,1,0,0,0,0|1,0,0]=4 2709 B13R1.3089 COc1ccc(cc1NC(=O)C)F 527a_100000757179_100103153847 [2,1,0,0,0,0|1,0,0]=4 2710 B13R1.3089 COc1ccc(cc1NC(=O)C)I 11a_100011249504_100015343762 [2,1,0,0,0,0|1,0,0]=4 2711 B13R1.3089 COc1ccc(cc1NC(=O)C)I 1626a_100011249504_100015343762 [2,1,0,0,0,0|1,0,0]=4 2712 B13R1.3089 COc1ccc(cc1NC(=O)C)I 22a_100011249504_100000070787 [2,1,0,0,0,0|1,0,0]=4 2713 B13R1.3089 COc1ccc(cc1NC(=O)C)N 34a_100000070259_200000210301 [2,1,0,0,0,0|1,0,0]=4 2714 B13R1.3089 COc1ccc(cc1NC(=O)C)N 7a_100000070259_200000210301 [2,1,0,0,0,0|1,0,0]=4 2715 B13R1.3089 COc1ccc(cc1NC(=O)C)O 271570a_203496583355_200011407902 [2,1,0,0,0,0|0,0,0]=3 2716 B13R1.3089 COc1ccc(cc1OC(=O)C)O 271570a_203496583355_200011016479 [2,1,0,0,0,0|1,0,0]=4 2717 B13R1.3089 CSc1ccc(cc1NC(=O)C)C 62a_200000210301_100000182586 [2,1,0,0,0,0|0,1,0]=4 2718 B13R1.354 CCNc1cc(ccc1O)C(C)C 34a_200000187366_100000210202 [2,1,0,0,0,0|0,0,1]=4 2719 B13R1.354 CCNc1cc(ccc1O)C(C)C 7a_200000187366_100000210202 [2,1,0,0,0,0|0,0,1]=4 2720 B13R1.355 CC=Cc1cc(ccc1CO)CO 271570a_100016259895_100010881536 [2,1,0,0,0,0|1,0,0]=4 2721 B13R1.355 CC=Cc1cc(ccc1CO)OC 271570a_100016259895_100011982768 [2,1,0,0,0,0|1,0,0]=4 2722 B13R1.355 CC=Cc1cc(ccc1OC)CC 271570a_100016259895_100010062400 [2,1,0,0,0,0|1,0,0]=4 2723 B13R1.355 CC=Cc1cc(ccc1OC)CO 271570a_100016259895_100000246451 [2,1,0,0,0,0|1,0,0]=4 2724 B13R1.355 CC=Cc1cc(ccc1OC)OC 271570a_100016259895_100011215452 [2,1,0,0,0,0|1,0,0]=4 2725 B13R1.355 CCNc1cc(ccc1CO)OC 34a_100011998734_100000210202 [2,1,0,0,0,0|0,0,1]=4 2726 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [2,1,0,0,0,0|0,0,1]=4 2727 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [2,1,0,0,0,0|0,0,1]=4 2728 B13R1.355 CCNc1cc(ccc1OC)CO 2230a_100011269841_100000210202 [2,1,0,0,0,0|0,0,1]=4 2729 B13R1.355 CCNc1cc(ccc1OC)CO 34a_100011269841_100000210202 [2,1,0,0,0,0|0,0,1]=4 2730 B13R1.355 CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210202 [2,1,0,0,0,0|0,0,1]=4 2731 B13R1.355 CCNc1cc(ccc1OC)OC 34a_100000184736_100000210202 [2,1,0,0,0,0|0,0,1]=4 2732 B13R1.558 C=CCNc1cc(ccc1O)CC 34a_100000765835_100015514636 [2,1,0,0,0,0|0,0,1]=4 2733 B13R1.558 C=CCNc1cc(ccc1O)CO 34a_100000123545_100015514636 [2,1,0,0,0,0|0,0,1]=4 2734 B13R1.558 C=CCNc1cc(ccc1O)OC 34a_100000188146_100015514636 [2,1,0,0,0,0|0,0,1]=4 2735 B13R1.558 CC=NNc1cc(ccc1Cl)OC 4a_200000763216_200000210099 [2,1,0,0,0,0|1,0,0]=4 2736 B13R1.558 CCCNc1cc(ccc1O)CC 34a_100000765835_100000210303 [2,1,0,0,0,0|0,0,1]=4 2737 B13R1.558 CCCNc1cc(ccc1O)CO 34a_100000123545_100000210303 [2,1,0,0,0,0|0,0,1]=4 2738 B13R1.558 CCCNc1cc(ccc1O)OC 34a_100000188146_100000210303 [2,1,0,0,0,0|0,0,1]=4 2739 B13R1.558 CCc1ccc(c(c1)NCC=O)C 2230a_200012022522_200015260668 [2,1,0,0,0,0|1,0,0]=4 2740 B13R1.558 CCc1ccc(c(c1)NCC=O)C 34a_200012022522_200009817547 [2,1,0,0,0,0|1,0,0]=4 2741 B13R1.558 CCc1ccc(c(c1)NCC=O)C 7a_200012022522_200015260668 [2,1,0,0,0,0|1,0,0]=4 2742 B13R1.558 CCc1ccc(c(c1)NCC=O)O 34a_100000765835_200009817547 [2,1,0,0,0,0|0,0,0]=3 2743 B13R1.558 CCc1ccc(c(c1)NCCF)O 34a_100000765835_100011217306 [2,1,0,0,0,0|0,0,1]=4 2744 B13R1.558 CCc1ccc(c(c1)NCCO)O 34a_100000765835_100000211926 [2,1,0,0,0,0|0,0,1]=4 2745 B13R1.558 CCc1ccc(c(c1)NCSC)O 34a_100000765835_100011218213 [2,1,0,0,0,0|0,0,1]=4 2746 B13R1.558 CCc1ccc(c(c1)SCC=O)O 62a_100012339963_200015260668 [2,1,0,0,0,0|1,0,0]=4 2747 B13R1.558 CCc1ccc(c(c1)SCC=O)O 62a_200015260668_100012339963 [2,1,0,0,0,0|1,0,0]=4 2748 B13R1.558 COc1ccc(c(c1)NCC=O)Br 34a_100000748603_200009817547 [2,1,0,0,0,0|1,0,0]=4 2749 B13R1.558 COc1ccc(c(c1)NCC=O)C 2230a_100000760359_200015260668 [2,1,0,0,0,0|1,0,0]=4 2750 B13R1.558 COc1ccc(c(c1)NCC=O)C 34a_100000760359_200009817547 [2,1,0,0,0,0|1,0,0]=4 2751 B13R1.558 COc1ccc(c(c1)NCC=O)Cl 34a_100000745576_200009817547 [2,1,0,0,0,0|1,0,0]=4 2752 B13R1.558 COc1ccc(c(c1)NCC=O)F 34a_100000764331_200009817547 [2,1,0,0,0,0|1,0,0]=4 2753 B13R1.558 COc1ccc(c(c1)NCC=O)I 34a_100000748021_200009817547 [2,1,0,0,0,0|1,0,0]=4 2754 B13R1.558 COc1ccc(c(c1)NCC=O)O 34a_100000188146_200009817547 [2,1,0,0,0,0|0,0,0]=3 2755 B13R1.558 COc1ccc(c(c1)NCCF)O 34a_100000188146_100011217306 [2,1,0,0,0,0|0,0,1]=4 2756 B13R1.558 COc1ccc(c(c1)NCCO)O 34a_100000188146_100000211926 [2,1,0,0,0,0|0,0,1]=4 2757 B13R1.558 COc1ccc(c(c1)NCSC)O 34a_100000188146_100011218213 [2,1,0,0,0,0|0,0,1]=4 2758 B13R1.558 COc1ccc(c(c1)SCC=O)O 62a_200015260668_100000685887 [2,1,0,0,0,0|1,0,0]=4 2759 B13R1.558 CSCNc1cc(ccc1O)CO 34a_100000123545_100011218213 [2,1,0,0,0,0|0,0,1]=4 2760 B13R1.558 Cc1ccc(cc1NCC=O)CO 2230a_100000758420_200015260668 [2,1,0,0,0,0|1,0,0]=4 2761 B13R1.558 Cc1ccc(cc1NCC=O)CO 34a_100000758420_200009817547 [2,1,0,0,0,0|1,0,0]=4 2762 B13R1.558 O=CCNc1cc(ccc1Br)CO 34a_100012347568_200009817547 [2,1,0,0,0,0|1,0,0]=4 2763 B13R1.558 O=CCNc1cc(ccc1Cl)CO 34a_106256033963_200009817547 [2,1,0,0,0,0|1,0,0]=4 2764 B13R1.558 O=CCNc1cc(ccc1F)CO 2230a_102125399562_200015260668 [2,1,0,0,0,0|1,0,0]=4 2765 B13R1.558 O=CCNc1cc(ccc1F)CO 34a_102125399562_200009817547 [2,1,0,0,0,0|1,0,0]=4 2766 B13R1.558 O=CCNc1cc(ccc1O)CO 34a_100000123545_200009817547 [2,1,0,0,0,0|0,0,0]=3 2767 B13R1.558 O=CCSc1cc(ccc1O)CO 62a_100011191544_200015260668 [2,1,0,0,0,0|1,0,0]=4 2768 B13R1.558 O=CCSc1cc(ccc1O)CO 62a_200015260668_100011191544 [2,1,0,0,0,0|1,0,0]=4 2769 B13R1.558 OCCNc1cc(ccc1O)CO 34a_100000123545_100000211926 [2,1,0,0,0,0|0,0,1]=4 2770 B13R1.558 OCc1ccc(c(c1)NCCF)O 34a_100000123545_100011217306 [2,1,0,0,0,0|0,0,1]=4 2771 B13R1.3981 CC=Cc1cc(cc(c1O)N)OC 271570a_100016259895_200010008348 [2,1,0,0,0,0|1,0,0]=4 2772 B13R1.3981 CCNc1cc(cc(c1O)Br)OC 34a_200010008348_100000210202 [2,1,0,0,0,0|0,0,1]=4 2773 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Br 22a_100012347228_100000070787 [2,1,0,0,0,0|0,0,0]=3 2774 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Br 527a_100012347228_100103153847 [2,1,0,0,0,0|0,0,0]=3 2775 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Cl 22a_100011273577_100000070787 [2,1,0,0,0,0|0,0,0]=3 2776 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)F 22a_100011218011_100000070787 [2,1,0,0,0,0|0,0,0]=3 2777 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)F 527a_100011218011_100103153847 [2,1,0,0,0,0|0,0,0]=3 2778 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 34a_100000739390_200025704644 [2,1,0,0,0,0|1,0,0]=4 2779 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 7a_100000739390_200025704644 [2,1,0,0,0,0|1,0,0]=4 2780 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])Cl 34a_100000742996_200025704644 [2,1,0,0,0,0|1,0,0]=4 2781 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])F 34a_106454645589_200025704644 [2,1,0,0,0,0|1,0,0]=4 2782 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [2,1,0,0,0,0|0,0,0]=3 2783 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [2,1,0,0,0,0|0,0,0]=3 2784 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011221169 [2,1,0,0,0,0|0,1,0]=4 2785 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])F 62a_200025704644_100012348134 [2,1,0,0,0,0|0,1,0]=4 2786 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 11a_100010109747_100015343762 [2,1,0,0,0,0|0,0,0]=3 2787 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 1626a_100010109747_100015343762 [2,1,0,0,0,0|0,0,0]=3 2788 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 22a_100010109747_100000070787 [2,1,0,0,0,0|0,0,0]=3 2789 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 527a_100010109747_100103153847 [2,1,0,0,0,0|0,0,0]=3 2790 B13R1.52 CNc1cc(ccc1C)NC(=O)C 34a_100000739390_200000210301 [2,1,0,0,0,0|1,0,0]=4 2791 B13R1.52 CNc1cc(ccc1C)NC(=O)C 7a_100000739390_200000210301 [2,1,0,0,0,0|1,0,0]=4 2792 B13R1.52 CNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_200000210301 [2,1,0,0,0,0|1,0,0]=4 2793 B13R1.52 CNc1cc(ccc1F)NC(=O)C 34a_106454645589_200000210301 [2,1,0,0,0,0|1,0,0]=4 2794 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [2,1,0,0,0,0|1,0,0]=4 2795 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [2,1,0,0,0,0|1,0,0]=4 2796 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [2,1,0,0,0,0|1,0,0]=4 2797 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [2,1,0,0,0,0|0,0,0]=3 2798 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [2,1,0,0,0,0|0,0,0]=3 2799 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [2,1,0,0,0,0|0,0,0]=3 2800 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [2,1,0,0,0,0|0,0,0]=3 2801 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [2,1,0,0,0,0|0,0,0]=3 2802 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [2,1,0,0,0,0|0,0,0]=3 2803 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [2,1,0,0,0,0|0,0,0]=3 2804 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [2,1,0,0,0,0|0,0,0]=3 2805 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [2,1,0,0,0,0|1,0,0]=4 2806 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [2,1,0,0,0,0|0,0,0]=3 2807 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [2,1,0,0,0,0|0,0,0]=3 2808 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [2,1,0,0,0,0|0,0,0]=3 2809 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [2,1,0,0,0,0|0,0,0]=3 2810 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [2,1,0,0,0,0|0,0,0]=3 2811 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [2,1,0,0,0,0|0,0,0]=3 2812 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [2,1,0,0,0,0|1,0,0]=4 2813 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [2,1,0,0,0,0|1,0,0]=4 2814 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [2,1,0,0,0,0|1,0,0]=4 2815 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [2,1,0,0,0,0|0,0,0]=3 2816 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [2,1,0,0,0,0|0,0,0]=3 2817 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [2,1,0,0,0,0|0,0,0]=3 2818 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [2,1,0,0,0,0|0,0,0]=3 2819 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [2,1,0,0,0,0|0,0,0]=3 2820 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [2,1,0,0,0,0|0,0,0]=3 2821 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [2,1,0,0,0,0|0,0,0]=3 2822 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [2,1,0,0,0,0|0,0,0]=3 2823 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [2,1,0,0,0,0|1,0,0]=4 2824 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [2,1,0,0,0,0|1,0,0]=4 2825 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [2,1,0,0,0,0|0,0,0]=3 2826 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [2,1,0,0,0,0|0,0,0]=3 2827 B13R1.52 CSc1cc(ccc1C)NC(=O)C 62a_200000210301_100011221169 [2,1,0,0,0,0|0,1,0]=4 2828 B13R1.52 CSc1cc(ccc1F)NC(=O)C 62a_200000210301_100012348134 [2,1,0,0,0,0|0,1,0]=4 2829 B13R1.56 CC(=O)Nc1cc(cc(c1)CO)Cl 22a_100012002482_100000070787 [2,1,0,0,0,0|0,0,0]=3 2830 B13R1.56 CC(=O)Nc1cc(cc(c1)CO)O 22a_200000124675_100000070787 [2,1,0,0,0,0|0,0,0]=3 2831 B13R1.56 CC(=O)Nc1cc(cc(c1)CO)O 527a_200000124675_100103153847 [2,1,0,0,0,0|0,0,0]=3 2832 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 11a_100010074814_100015343762 [2,1,0,0,0,0|0,0,0]=3 2833 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 1626a_100010074814_100015343762 [2,1,0,0,0,0|0,0,0]=3 2834 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 22a_100010074814_100000070787 [2,1,0,0,0,0|0,0,0]=3 2835 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 527a_100010074814_100103153847 [2,1,0,0,0,0|0,0,0]=3 2836 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 11a_100012022893_100015343762 [2,1,0,0,0,0|0,0,0]=3 2837 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 1626a_100012022893_100015343762 [2,1,0,0,0,0|0,0,0]=3 2838 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 22a_100012022893_100000070787 [2,1,0,0,0,0|0,0,0]=3 2839 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 527a_100012022893_100103153847 [2,1,0,0,0,0|0,0,0]=3 2840 B13R1.56 CCc1cc(cc(c1)NC(=O)C)O 271570a_203496583355_200011092971 [2,1,0,0,0,0|0,0,0]=3 2841 B13R1.56 COc1cc(cc(c1)CC(=O)C)Br 1458a_100000070787_100010162483 [2,1,0,0,0,0|1,0,0]=4 2842 B13R1.56 COc1cc(cc(c1)CC(=O)C)Cl 1458a_100000070787_100010188059 [2,1,0,0,0,0|1,0,0]=4 2843 B13R1.56 COc1cc(cc(c1)CC(=O)C)F 1458a_100000070787_100011934817 [2,1,0,0,0,0|1,0,0]=4 2844 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 11a_100000750983_100015343762 [2,1,0,0,0,0|0,0,0]=3 2845 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 1626a_100000750983_100015343762 [2,1,0,0,0,0|0,0,0]=3 2846 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 22a_100000750983_100000070787 [2,1,0,0,0,0|0,0,0]=3 2847 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 527a_100000750983_100103153847 [2,1,0,0,0,0|0,0,0]=3 2848 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 11a_100012001870_100015343762 [2,1,0,0,0,0|0,0,0]=3 2849 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 1626a_100012001870_100015343762 [2,1,0,0,0,0|0,0,0]=3 2850 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 22a_100012001870_100000070787 [2,1,0,0,0,0|0,0,0]=3 2851 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 527a_100012001870_100103153847 [2,1,0,0,0,0|0,0,0]=3 2852 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 11a_100000051436_100015343762 [2,1,0,0,0,0|0,0,0]=3 2853 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 1626a_100000051436_100015343762 [2,1,0,0,0,0|0,0,0]=3 2854 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 22a_100000051436_100000070787 [2,1,0,0,0,0|0,0,0]=3 2855 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 527a_100000051436_100103153847 [2,1,0,0,0,0|0,0,0]=3 2856 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 11a_100000687699_100015343762 [2,1,0,0,0,0|0,0,0]=3 2857 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 1626a_100000687699_100015343762 [2,1,0,0,0,0|0,0,0]=3 2858 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 22a_100000687699_100000070787 [2,1,0,0,0,0|0,0,0]=3 2859 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 527a_100000687699_100103153847 [2,1,0,0,0,0|0,0,0]=3 2860 B13R1.56 COc1cc(cc(c1)NC(=O)C)O 1626a_200000692186_100015343762 [2,1,0,0,0,0|0,0,0]=3 2861 B13R1.56 COc1cc(cc(c1)NC(=O)C)O 22a_200000692186_100000070787 [2,1,0,0,0,0|0,0,0]=3 2862 B13R1.56 COc1cc(cc(c1)NC(=O)C)O 527a_200000692186_100103153847 [2,1,0,0,0,0|0,0,0]=3 2863 B13R1.80 CCc1cccc(c1)NS(=O)(=O)C 40a_100000211250_100000738038 [2,1,0,0,0,0|1,0,0]=4 2864 B13R1.80 COc1cccc(c1)NS(=O)(=O)C 40a_100000210024_100000738038 [2,1,0,0,0,0|1,0,0]=4 2865 B13R1.80 CS(=O)(=O)Nc1cccc(c1)CO 40a_100000211919_100000738038 [2,1,0,0,0,0|1,0,0]=4 2866 B13R1.81 C=CC(=O)Nc1cccc(c1)CC 1626a_100000211250_100000185746 [2,1,0,0,0,0|0,0,1]=4 2867 B13R1.81 C=CC(=O)Nc1cccc(c1)CC 22a_100000211250_100000185746 [2,1,0,0,0,0|0,0,1]=4 2868 B13R1.81 C=CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000185746 [2,1,0,0,0,0|0,0,1]=4 2869 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000185746 [2,1,0,0,0,0|0,0,1]=4 2870 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 22a_100000210024_100000185746 [2,1,0,0,0,0|0,0,1]=4 2871 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 34a_100011235909_200000210301 [2,1,0,0,0,0|0,0,1]=4 2872 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 7a_100011235909_200000210301 [2,1,0,0,0,0|0,0,1]=4 2873 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 34a_100011235909_200025704644 [2,1,0,0,0,0|0,0,1]=4 2874 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 7a_100011235909_200025704644 [2,1,0,0,0,0|0,0,1]=4 2875 B13R1.81 CCC(=O)Cc1cccc(c1)CO 1458a_100000210414_100010188025 [2,1,0,0,0,0|1,0,0]=4 2876 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000210414_100000211672 [2,1,0,0,0,0|1,0,0]=4 2877 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000211281_100000210202 [2,1,0,0,0,0|1,0,0]=4 2878 B13R1.81 CCC(=O)Nc1cccc(c1)CC 11a_100000211250_100000210414 [2,1,0,0,0,0|0,0,0]=3 2879 B13R1.81 CCC(=O)Nc1cccc(c1)CC 1626a_100000211250_100000210414 [2,1,0,0,0,0|0,0,0]=3 2880 B13R1.81 CCC(=O)Nc1cccc(c1)CC 22a_100000211250_100000210414 [2,1,0,0,0,0|0,0,0]=3 2881 B13R1.81 CCC(=O)Nc1cccc(c1)CC 527a_100000211250_100000210414 [2,1,0,0,0,0|0,0,0]=3 2882 B13R1.81 CCC(=O)Nc1cccc(c1)CF 11a_100000126320_100000210414 [2,1,0,0,0,0|1,0,0]=4 2883 B13R1.81 CCC(=O)Nc1cccc(c1)CF 1626a_100000126320_100000210414 [2,1,0,0,0,0|1,0,0]=4 2884 B13R1.81 CCC(=O)Nc1cccc(c1)CF 22a_100000126320_100000210414 [2,1,0,0,0,0|1,0,0]=4 2885 B13R1.81 CCC(=O)Nc1cccc(c1)CF 527a_100000126320_100000210414 [2,1,0,0,0,0|1,0,0]=4 2886 B13R1.81 CCC(=O)Nc1cccc(c1)CO 22a_100000211919_100000210414 [2,1,0,0,0,0|0,0,0]=3 2887 B13R1.81 CCC(=O)Nc1cccc(c1)NC 34a_100000186510_200000210301 [2,1,0,0,0,0|1,0,0]=4 2888 B13R1.81 CCC(=O)Nc1cccc(c1)N[13CH3] 34a_100000186510_200025704644 [2,1,0,0,0,0|1,0,0]=4 2889 B13R1.81 CCC(=O)Nc1cccc(c1)OC 11a_100000210024_100000210414 [2,1,0,0,0,0|0,0,0]=3 2890 B13R1.81 CCC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000210414 [2,1,0,0,0,0|0,0,0]=3 2891 B13R1.81 CCC(=O)Nc1cccc(c1)OC 22a_100000210024_100000210414 [2,1,0,0,0,0|0,0,0]=3 2892 B13R1.81 CCC(=O)Nc1cccc(c1)OC 34a_100000158609_200000210301 [2,1,0,0,0,0|0,0,0]=3 2893 B13R1.81 CCC(=O)Nc1cccc(c1)OC 527a_100000210024_100000210414 [2,1,0,0,0,0|0,0,0]=3 2894 B13R1.81 CCC(=O)Nc1cccc(c1)OC 7a_100000158609_200000210301 [2,1,0,0,0,0|0,0,0]=3 2895 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158609_200025704644 [2,1,0,0,0,0|0,0,0]=3 2896 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158609_200025704644 [2,1,0,0,0,0|0,0,0]=3 2897 B13R1.81 CCC(=O)Nc1cccc(c1)SC 11a_100000210049_100000210414 [2,1,0,0,0,0|0,1,0]=4 2898 B13R1.81 CCC(=O)Nc1cccc(c1)SC 1626a_100000210049_100000210414 [2,1,0,0,0,0|0,1,0]=4 2899 B13R1.81 CCC(=O)Nc1cccc(c1)SC 22a_100000210049_100000210414 [2,1,0,0,0,0|0,1,0]=4 2900 B13R1.81 CCC(=O)Nc1cccc(c1)SC 527a_100000210049_100000210414 [2,1,0,0,0,0|0,1,0]=4 2901 B13R1.81 CCc1cccc(c1)NC(=O)CO 22a_100000211250_100000210174 [2,1,0,0,0,0|0,0,0]=3 2902 B13R1.81 CCc1cccc(c1)NC(=O)CO 527a_100000211250_100000210174 [2,1,0,0,0,0|0,0,0]=3 2903 B13R1.81 CCc1cccc(c1)NC(=O)NC 2430a_100000211250_100102657272 [2,1,0,0,0,0|0,0,0]=3 2904 B13R1.81 CCc1cccc(c1)NC(=O)NC 512a_100000211250_100102657272 [2,1,0,0,0,0|0,0,0]=3 2905 B13R1.81 CNC(=O)Cc1cccc(c1)OC 11a_106832991635_100000211281 [2,1,0,0,0,0|1,0,0]=4 2906 B13R1.81 CNC(=O)Cc1cccc(c1)OC 1626a_100102657272_100000211281 [2,1,0,0,0,0|1,0,0]=4 2907 B13R1.81 CNC(=O)Cc1cccc(c1)OC 240690a_100102657272_100000211281 [2,1,0,0,0,0|1,0,0]=4 2908 B13R1.81 CNC(=O)Cc1cccc(c1)OC 527a_100102657272_100000211281 [2,1,0,0,0,0|1,0,0]=4 2909 B13R1.81 CNC(=O)Nc1cccc(c1)CF 2430a_100000126320_100102657272 [2,1,0,0,0,0|1,0,0]=4 2910 B13R1.81 CNC(=O)Nc1cccc(c1)CF 512a_100000126320_100102657272 [2,1,0,0,0,0|1,0,0]=4 2911 B13R1.81 CNC(=O)Nc1cccc(c1)CO 2430a_100000211919_100102657272 [2,1,0,0,0,0|0,0,0]=3 2912 B13R1.81 CNC(=O)Nc1cccc(c1)OC 2430a_100000210024_100102657272 [2,1,0,0,0,0|0,0,0]=3 2913 B13R1.81 CNC(=O)Nc1cccc(c1)OC 512a_100000210024_100102657272 [2,1,0,0,0,0|0,0,0]=3 2914 B13R1.81 CNC(=O)Nc1cccc(c1)SC 2430a_100000210049_100102657272 [2,1,0,0,0,0|0,1,0]=4 2915 B13R1.81 CNC(=O)Nc1cccc(c1)SC 512a_100000210049_100102657272 [2,1,0,0,0,0|0,1,0]=4 2916 B13R1.81 COC(=O)Nc1cccc(c1)OC 34a_100000741004_200000210301 [2,1,0,0,0,0|0,0,0]=3 2917 B13R1.81 COC(=O)Nc1cccc(c1)OC 7a_100000741004_200000210301 [2,1,0,0,0,0|0,0,0]=3 2918 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 34a_100000741004_200025704644 [2,1,0,0,0,0|0,0,0]=3 2919 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 7a_100000741004_200025704644 [2,1,0,0,0,0|0,0,0]=3 2920 B13R1.81 COc1cccc(c1)CC(=O)CF 1458a_100000211281_100015361967 [2,1,0,0,0,0|1,0,0]=4 2921 B13R1.81 COc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211672 [2,1,0,0,0,0|1,0,0]=4 2922 B13R1.81 COc1cccc(c1)NC(=O)CCl 34a_100011236192_200000210301 [2,1,0,0,0,0|0,0,0]=3 2923 B13R1.81 COc1cccc(c1)NC(=O)CCl 7a_100011236192_200000210301 [2,1,0,0,0,0|0,0,0]=3 2924 B13R1.81 COc1cccc(c1)NC(=O)CO 22a_100000210024_100000210174 [2,1,0,0,0,0|0,0,0]=3 2925 B13R1.81 COc1cccc(c1)NC(=O)CO 527a_100000210024_100000210174 [2,1,0,0,0,0|0,0,0]=3 2926 B13R1.81 CSc1cccc(c1)NC(=O)CO 22a_100000210049_100000210174 [2,1,0,0,0,0|0,1,0]=4 2927 B13R1.81 CSc1cccc(c1)NC(=O)CO 527a_100000210049_100000210174 [2,1,0,0,0,0|0,1,0]=4 2928 B13R1.81 O=C(CO)Cc1cccc(c1)CO 1458a_100000210174_100010188025 [2,1,0,0,0,0|1,0,0]=4 2929 B13R1.81 O=C(CO)Nc1cccc(c1)CF 22a_100000126320_100000210174 [2,1,0,0,0,0|1,0,0]=4 2930 B13R1.81 O=C(CO)Nc1cccc(c1)CF 527a_100000126320_100000210174 [2,1,0,0,0,0|1,0,0]=4 2931 B13R1.81 O=C(CO)Nc1cccc(c1)CO 22a_100000211919_100000210174 [2,1,0,0,0,0|0,0,0]=3 2932 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 34a_100011236192_200025704644 [2,1,0,0,0,0|0,0,0]=3 2933 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 7a_100011236192_200025704644 [2,1,0,0,0,0|0,0,0]=3 2934 B13R1.587 C=C(C)c1cccc(c1)NC(=O)C 271570a_100000694244_100000153616 [2,1,0,0,0,0|0,0,1]=4 2935 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C 1458a_100000188798_200000210301 [2,1,0,0,0,0|0,0,1]=4 2936 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)[13CH3] 1458a_100000188798_200025704644 [2,1,0,0,0,0|0,0,1]=4 2937 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 11a_100000211879_100015343762 [2,1,0,0,0,0|0,0,0]=3 2938 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 1626a_100000211879_100015343762 [2,1,0,0,0,0|0,0,0]=3 2939 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 22a_100000211879_100000070787 [2,1,0,0,0,0|0,0,0]=3 2940 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 527a_100000211879_100103153847 [2,1,0,0,0,0|0,0,0]=3 2941 B13R1.587 CC(=O)Nc1cccc(c1)C(C)O 22a_100011217120_100000070787 [2,1,0,0,0,0|0,0,0]=3 2942 B13R1.587 CC(=O)Nc1cccc(c1)C(C)O 527a_100011217120_100103153847 [2,1,0,0,0,0|0,0,0]=3 2943 B13R1.587 CC(=O)Nc1cccc(c1)C(F)F 11a_100000058342_100015343762 [2,1,0,0,0,0|1,0,0]=4 2944 B13R1.587 CC(=O)Nc1cccc(c1)C(F)F 1626a_100000058342_100015343762 [2,1,0,0,0,0|1,0,0]=4 2945 B13R1.587 CC(=O)Nc1cccc(c1)C(F)F 22a_100000058342_100000070787 [2,1,0,0,0,0|1,0,0]=4 2946 B13R1.587 CC(=O)Nc1cccc(c1)C(F)F 527a_100000058342_100103153847 [2,1,0,0,0,0|1,0,0]=4 2947 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 11a_100000209982_100015343762 [2,1,0,0,0,0|1,0,0]=4 2948 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 1626a_100000209982_100015343762 [2,1,0,0,0,0|1,0,0]=4 2949 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 22a_100000209982_100000070787 [2,1,0,0,0,0|1,0,0]=4 2950 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 527a_100000209982_100103153847 [2,1,0,0,0,0|1,0,0]=4 2951 B13R1.641 CC(=O)Nc1cccc(c1C)CO 22a_102495339961_100000070787 [2,1,0,0,0,0|0,0,0]=3 2952 B13R1.641 CC(=O)Nc1cccc(c1C)CO 527a_102495339961_100103153847 [2,1,0,0,0,0|0,0,0]=3 2953 B13R1.641 CC(=O)Nc1cccc(c1C)N[13CH3] 34a_100000736503_200025704644 [2,1,0,0,0,0|1,0,0]=4 2954 B13R1.641 CC(=O)Nc1cccc(c1C)N[13CH3] 7a_100000736503_200025704644 [2,1,0,0,0,0|1,0,0]=4 2955 B13R1.641 CNc1cccc(c1C)NC(=O)C 34a_100000736503_200000210301 [2,1,0,0,0,0|1,0,0]=4 2956 B13R1.641 CNc1cccc(c1C)NC(=O)C 7a_100000736503_200000210301 [2,1,0,0,0,0|1,0,0]=4 2957 B13R1.641 COc1cccc(c1Br)NC(=O)C 11a_100000703447_100015343762 [2,1,0,0,0,0|0,0,0]=3 2958 B13R1.641 COc1cccc(c1Br)NC(=O)C 1626a_100000703447_100015343762 [2,1,0,0,0,0|0,0,0]=3 2959 B13R1.641 COc1cccc(c1Br)NC(=O)C 22a_100000703447_100000070787 [2,1,0,0,0,0|0,0,0]=3 2960 B13R1.641 COc1cccc(c1Br)NC(=O)C 527a_100000703447_100103153847 [2,1,0,0,0,0|0,0,0]=3 2961 B13R1.641 COc1cccc(c1C)CC(=O)C 1458a_100000070787_100009876938 [2,1,0,0,0,0|1,0,0]=4 2962 B13R1.641 COc1cccc(c1C)NC(=O)C 11a_100011244893_100015343762 [2,1,0,0,0,0|0,0,0]=3 2963 B13R1.641 COc1cccc(c1C)NC(=O)C 1626a_100011244893_100015343762 [2,1,0,0,0,0|0,0,0]=3 2964 B13R1.641 COc1cccc(c1C)NC(=O)C 22a_100011244893_100000070787 [2,1,0,0,0,0|0,0,0]=3 2965 B13R1.641 COc1cccc(c1C)NC(=O)C 527a_100011244893_100103153847 [2,1,0,0,0,0|0,0,0]=3 2966 B13R1.641 COc1cccc(c1Cl)CC(=O)C 1458a_100000070787_200010147866 [2,1,0,0,0,0|1,0,0]=4 2967 B13R1.641 COc1cccc(c1Cl)NC(=O)C 11a_100000089720_100015343762 [2,1,0,0,0,0|0,0,0]=3 2968 B13R1.641 COc1cccc(c1Cl)NC(=O)C 1626a_100000089720_100015343762 [2,1,0,0,0,0|0,0,0]=3 2969 B13R1.641 COc1cccc(c1Cl)NC(=O)C 22a_100000089720_100000070787 [2,1,0,0,0,0|0,0,0]=3 2970 B13R1.641 COc1cccc(c1Cl)NC(=O)C 527a_100000089720_100103153847 [2,1,0,0,0,0|0,0,0]=3 2971 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000070787_100011260763 [2,1,0,0,0,0|1,0,0]=4 2972 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000698549_200000210301 [2,1,0,0,0,0|1,0,0]=4 2973 B13R1.641 COc1cccc(c1F)CC(=O)[13CH3] 1458a_100000698549_200025704644 [2,1,0,0,0,0|1,0,0]=4 2974 B13R1.641 COc1cccc(c1F)NC(=O)C 11a_100000100910_100015343762 [2,1,0,0,0,0|0,0,0]=3 2975 B13R1.641 COc1cccc(c1F)NC(=O)C 1626a_100000100910_100015343762 [2,1,0,0,0,0|0,0,0]=3 2976 B13R1.641 COc1cccc(c1F)NC(=O)C 22a_100000100910_100000070787 [2,1,0,0,0,0|0,0,0]=3 2977 B13R1.641 COc1cccc(c1F)NC(=O)C 527a_100000100910_100103153847 [2,1,0,0,0,0|0,0,0]=3 2978 B13R1.641 COc1cccc(c1I)NC(=O)C 11a_100010245509_100015343762 [2,1,0,0,0,0|0,0,0]=3 2979 B13R1.641 COc1cccc(c1I)NC(=O)C 1626a_100010245509_100015343762 [2,1,0,0,0,0|0,0,0]=3 2980 B13R1.641 COc1cccc(c1O)NC(=O)C 22a_100000123586_100000070787 [2,1,0,0,0,0|0,0,0]=3 2981 B13R1.641 COc1cccc(c1O)NC(=O)C 527a_100000123586_100103153847 [2,1,0,0,0,0|0,0,0]=3 2982 B13R1.642 CC(=O)N(C)c1cccc(c1)N[13CH3] 34a_100000765750_200025704644 [2,1,0,0,0,0|1,0,0]=4 2983 B13R1.642 CNc1cccc(c1)N(C)C(=O)C 34a_100000765750_200000210301 [2,1,0,0,0,0|1,0,0]=4 2984 B13R1.642 COc1cccc(c1)N(C)C(=O)C 11a_100000219725_100015343762 [2,1,0,0,0,0|0,0,0]=3 2985 B13R1.642 COc1cccc(c1)N(C)C(=O)C 1626a_100000219725_100015343762 [2,1,0,0,0,0|0,0,0]=3 2986 B13R1.642 COc1cccc(c1)N(C)C(=O)C 22a_100000219725_100000070787 [2,1,0,0,0,0|0,0,0]=3 2987 B13R1.642 COc1cccc(c1)N(C)C(=O)C 527a_100000219725_100103153847 [2,1,0,0,0,0|0,0,0]=3 2988 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 11a_100020672454_100015343762 [2,1,0,0,0,0|0,1,0]=4 2989 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 22a_100020672454_100000070787 [2,1,0,0,0,0|0,1,0]=4 2990 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 527a_100020672454_100103153847 [2,1,0,0,0,0|0,1,0]=4 2991 B13R1.357 CC=Cc1cc(cc(c1)COC)F 271570a_100016259895_100012630430 [2,1,0,0,0,0|1,0,0]=4 2992 B13R1.376 CC=Cc1cccc(c1C)COC 271570a_100016259895_100102485947 [2,1,0,0,0,0|1,0,0]=4 2993 B13R1.567 C=CCNc1cccc(c1)COC 2230a_100000737370_100000210623 [2,1,0,0,0,0|0,0,1]=4 2994 B13R1.567 C=CCNc1cccc(c1)COC 34a_100000737370_100015514636 [2,1,0,0,0,0|0,0,1]=4 2995 B13R1.567 CC=Cc1cccc(c1)COCC 271570a_100016259895_100011493694 [2,1,0,0,0,0|1,0,0]=4 2996 B13R1.567 CC=Cc1cccc(c1)OCOC 271570a_100016259895_100012265688 [2,1,0,0,0,0|1,0,0]=4 2997 B13R1.567 CCCNc1cccc(c1)COC 2230a_100000737370_100000210303 [2,1,0,0,0,0|0,0,1]=4 2998 B13R1.567 CCCNc1cccc(c1)COC 34a_100000737370_100000210303 [2,1,0,0,0,0|0,0,1]=4 2999 B13R1.567 CCNc1cccc(c1)OCOC 34a_100012265470_100000210202 [2,1,0,0,0,0|0,0,1]=4 3000 B13R1.567 CCNc1cccc(c1)SCOC 62a_100000766300_100000738899 [2,1,0,0,0,0|0,0,1]=4 3001 B13R1.567 COCNc1cccc(c1)COC 2230a_100000737370_100000766300 [2,1,0,0,0,0|0,0,1]=4 3002 B13R1.567 COCSc1cccc(c1)CC=O 62a_100000766300_200000698211 [2,1,0,0,0,0|1,0,0]=4 3003 B13R1.567 COCSc1cccc(c1)CC=O 62a_200000698211_100000766300 [2,1,0,0,0,0|1,0,0]=4 3004 B13R1.567 COCc1cccc(c1)NCC=O 2230a_100000737370_200015260668 [2,1,0,0,0,0|0,0,0]=3 3005 B13R1.567 COCc1cccc(c1)NCC=O 34a_100000737370_200009817547 [2,1,0,0,0,0|0,0,0]=3 3006 B13R1.567 COCc1cccc(c1)NCCF 2230a_100000737370_100011217306 [2,1,0,0,0,0|0,0,1]=4 3007 B13R1.567 COCc1cccc(c1)NCCF 34a_100000737370_100011217306 [2,1,0,0,0,0|0,0,1]=4 3008 B13R1.567 COCc1cccc(c1)NCCO 2230a_100000737370_100000211926 [2,1,0,0,0,0|0,0,1]=4 3009 B13R1.567 COCc1cccc(c1)NCCO 34a_100000737370_100000211926 [2,1,0,0,0,0|0,0,1]=4 3010 B13R1.567 COCc1cccc(c1)NCSC 2230a_100000737370_100011218213 [2,1,0,0,0,0|0,0,1]=4 3011 B13R1.567 COCc1cccc(c1)NCSC 34a_100000737370_100011218213 [2,1,0,0,0,0|0,0,1]=4 3012 B13R1.567 COCc1cccc(c1)SCC=O 62a_100011493687_200015260668 [2,1,0,0,0,0|1,0,0]=4 3013 B13R1.567 COCc1cccc(c1)SCC=O 62a_200015260668_100011493687 [2,1,0,0,0,0|1,0,0]=4 3014 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [2,1,0,0,0,0|0,0,1]=4 3015 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [2,1,0,0,0,0|1,0,0]=4 3016 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [2,1,0,0,0,0|1,0,0]=4 3017 B13R1.575 CCCCc1ccc(c(c1)C=O)O 271570a_100020621405_100000186750 [2,1,0,0,0,0|1,0,0]=4 3018 B13R1.575 CCCSc1ccc(c(c1)C=O)O 62a_100000210303_100000186750 [2,1,0,0,0,0|1,0,0]=4 3019 B13R1.575 CCSCc1ccc(c(c1)C=O)O 62a_100000210202_100000008128 [2,1,0,0,0,0|0,1,0]=4 3020 B13R1.575 CCc1cc(ccc1O)SCOC 62a_100000766300_100012338938 [2,1,0,0,0,0|0,0,1]=4 3021 B13R1.575 CNc1cc(ccc1C)SCOC 62a_100000766300_100020629602 [2,1,0,0,0,0|1,0,0]=4 3022 B13R1.575 CNc1cc(ccc1C)SCOC 62a_100020629602_100000766300 [2,1,0,0,0,0|1,0,0]=4 3023 B13R1.575 CNc1cc(ccc1F)SCOC 62a_100000766300_100011314990 [2,1,0,0,0,0|1,0,0]=4 3024 B13R1.575 CNc1cc(ccc1F)SCOC 62a_100011314990_100000766300 [2,1,0,0,0,0|1,0,0]=4 3025 B13R1.575 CNc1cc(ccc1N)SCOC 62a_100000694363_100000766300 [2,1,0,0,0,0|1,0,0]=4 3026 B13R1.575 COCSc1cc(c(cn1)O)C=O 62a_100000766300_100000048449 [2,1,0,0,0,0|1,0,0]=4 3027 B13R1.575 COCSc1ccc(c(c1)C=O)Br 62a_100000766300_100010185652 [2,1,0,0,0,0|1,0,0]=4 3028 B13R1.575 COCSc1ccc(c(c1)C=O)Br 62a_100010185652_100000766300 [2,1,0,0,0,0|1,0,0]=4 3029 B13R1.575 COCSc1ccc(c(c1)C=O)C 62a_100000766300_100011361606 [2,1,0,0,0,0|1,0,0]=4 3030 B13R1.575 COCSc1ccc(c(c1)C=O)C 62a_100011361606_100000766300 [2,1,0,0,0,0|1,0,0]=4 3031 B13R1.575 COCSc1ccc(c(c1)C=O)Cl 62a_100000766300_100010254384 [2,1,0,0,0,0|1,0,0]=4 3032 B13R1.575 COCSc1ccc(c(c1)C=O)Cl 62a_100010254384_100000766300 [2,1,0,0,0,0|1,0,0]=4 3033 B13R1.575 COCSc1ccc(c(c1)C=O)F 62a_100000050626_100000766300 [2,1,0,0,0,0|1,0,0]=4 3034 B13R1.575 COCSc1ccc(c(c1)C=O)F 62a_100000766300_100000050626 [2,1,0,0,0,0|1,0,0]=4 3035 B13R1.575 COCSc1ccc(c(c1)C=O)N 62a_100011935258_100000766300 [2,1,0,0,0,0|1,0,0]=4 3036 B13R1.575 COCSc1ccc(c(c1)C=O)O 62a_100000766300_100000186750 [2,1,0,0,0,0|0,0,0]=3 3037 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [2,1,0,0,0,0|1,0,0]=4 3038 B13R1.575 COCSc1cnc(c(c1)C=O)O 62a_100000766300_100010064889 [2,1,0,0,0,0|1,0,0]=4 3039 B13R1.575 COCSc1cnc(c(c1)C=O)O 62a_100010064889_100000766300 [2,1,0,0,0,0|1,0,0]=4 3040 B13R1.575 CSCSc1ccc(c(c1)C=O)O 62a_100011218213_100000186750 [2,1,0,0,0,0|0,1,0]=4 3041 B13R1.575 O=Cc1cc(ccc1O)CSCF 62a_100015361967_100000008128 [2,1,0,0,0,0|0,1,0]=4 3042 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [1,1,0,0,1,0|0,0,1]=4 3043 B13R1.437 C=C(C)c1cc(cc(c1O)N)OC 271570a_100000694244_200010008348 [1,1,0,0,1,0|1,0,0]=4 3044 B13R1.651 CC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200010233951_200025704644 [1,1,0,0,1,0|0,1,0]=4 3045 B13R1.651 CC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100000691652_200025704644 [1,1,0,0,1,0|0,1,0]=4 3046 B13R1.651 COc1cc(c(cc1C)Br)C(=O)C 1458a_100010289115_200000210301 [1,1,0,0,1,0|1,0,0]=4 3047 B13R1.651 COc1cc(c(cc1C)Br)C(=O)[13CH3] 1458a_100010289115_200025704644 [1,1,0,0,1,0|1,0,0]=4 3048 B13R1.651 COc1cc(c(cc1F)Br)C(=O)C 1458a_100010174800_200000210301 [1,1,0,0,1,0|1,0,0]=4 3049 B13R1.651 COc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010174800_200025704644 [1,1,0,0,1,0|1,0,0]=4 3050 B13R1.651 CSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_200000210301 [1,1,0,0,1,0|0,1,0]=4 3051 B13R1.651 CSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_200000210301 [1,1,0,0,1,0|0,1,0]=4 3052 B13R1.2430 C=C(C)c1cc(ccc1CO)CO 271570a_100000694244_100010881536 [1,1,0,0,1,0|1,0,0]=4 3053 B13R1.2430 C=C(C)c1cc(ccc1CO)OC 271570a_100000694244_100011982768 [1,1,0,0,1,0|1,0,0]=4 3054 B13R1.2430 C=C(C)c1cc(ccc1OC)CC 271570a_100000694244_100010062400 [1,1,0,0,1,0|1,0,0]=4 3055 B13R1.2430 C=C(C)c1cc(ccc1OC)CO 271570a_100000694244_100000246451 [1,1,0,0,1,0|1,0,0]=4 3056 B13R1.2430 C=C(C)c1cc(ccc1OC)OC 271570a_100000694244_100011215452 [1,1,0,0,1,0|1,0,0]=4 3057 B13R1.2430 C=Cc1ccc(cc1C(=O)C)OC 271570a_100011290941_100011360761 [1,1,0,0,1,0|1,0,0]=4 3058 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [1,1,0,0,1,0|0,0,0]=3 3059 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [1,1,0,0,1,0|0,0,0]=3 3060 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [1,1,0,0,1,0|0,0,0]=3 3061 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [1,1,0,0,1,0|0,0,0]=3 3062 B13R1.2430 COc1ccc(c(c1)C(=O)C)C#N 1458a_100011219403_200000210301 [1,1,0,0,1,0|1,0,0]=4 3063 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [1,1,0,0,1,0|0,0,0]=3 3064 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [1,1,0,0,1,0|0,0,0]=3 3065 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [1,1,0,0,1,0|0,0,0]=3 3066 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [1,1,0,0,1,0|0,0,0]=3 3067 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [1,1,0,0,1,0|0,0,0]=3 3068 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [1,1,0,0,1,0|0,0,0]=3 3069 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [1,1,0,0,1,0|0,0,0]=3 3070 B13R1.2430 COc1ccc(c(c1)C(=O)C)SC 62a_100011360761_200000210301 [1,1,0,0,1,0|0,1,0]=4 3071 B13R1.2430 COc1ccc(c(c1)C(=O)C)S[13CH3] 62a_100011360761_200025704644 [1,1,0,0,1,0|0,1,0]=4 3072 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])C#N 1458a_100011219403_200025704644 [1,1,0,0,1,0|1,0,0]=4 3073 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [1,1,0,0,1,0|0,0,0]=3 3074 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [1,1,0,0,1,0|0,0,0]=3 3075 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [1,1,0,0,1,0|0,0,0]=3 3076 B13R1.2430 COc1ccc(cc1C(=O)C)SC 62a_100000173343_200000210301 [1,1,0,0,1,0|0,1,0]=4 3077 B13R1.2430 COc1ccc(cc1C(=O)C)S[13CH3] 62a_100000173343_200025704644 [1,1,0,0,1,0|0,1,0]=4 3078 B13R1.3097 COc1ccc(c(c1Br)C(=O)C)Br 1458a_200020932704_200000210301 [1,1,0,0,1,0|1,0,0]=4 3079 B13R1.3097 COc1ccc(c(c1Br)C(=O)[13CH3])Br 1458a_200020932704_200025704644 [1,1,0,0,1,0|1,0,0]=4 3080 B13R1.3097 COc1ccc(c(c1C)C(=O)C)Br 1458a_100010074600_200000210301 [1,1,0,0,1,0|1,0,0]=4 3081 B13R1.3097 COc1ccc(c(c1C)C(=O)[13CH3])Br 1458a_100010074600_200025704644 [1,1,0,0,1,0|1,0,0]=4 3082 B13R1.3097 COc1ccc(c(c1Cl)C(=O)C)Cl 1458a_200010760820_200000210301 [1,1,0,0,1,0|1,0,0]=4 3083 B13R1.3097 COc1ccc(c(c1Cl)C(=O)C)F 1458a_100000062076_200000210301 [1,1,0,0,1,0|1,0,0]=4 3084 B13R1.3097 COc1ccc(c(c1Cl)C(=O)[13CH3])Cl 1458a_200010760820_200025704644 [1,1,0,0,1,0|1,0,0]=4 3085 B13R1.3097 COc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000062076_200025704644 [1,1,0,0,1,0|1,0,0]=4 3086 B13R1.3097 COc1ccc(c(c1F)C(=O)C)Br 1458a_100010204293_200000210301 [1,1,0,0,1,0|1,0,0]=4 3087 B13R1.3097 COc1ccc(c(c1F)C(=O)C)Cl 1458a_100000062078_200000210301 [1,1,0,0,1,0|1,0,0]=4 3088 B13R1.3097 COc1ccc(c(c1F)C(=O)C)F 1458a_100000062053_200000210301 [1,1,0,0,1,0|1,0,0]=4 3089 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010204293_200025704644 [1,1,0,0,1,0|1,0,0]=4 3090 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000062078_200025704644 [1,1,0,0,1,0|1,0,0]=4 3091 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000062053_200025704644 [1,1,0,0,1,0|1,0,0]=4 3092 B13R1.498 COCSc1ccc(s1)NC(=O)C 62a_100000766300_100010002808 [1,1,0,0,1,0|1,0,0]=4 3093 B13R1.31 C=C(C)c1cc(cc(c1)COC)F 271570a_100000694244_100012630430 [1,1,0,0,1,0|1,0,0]=4 3094 B13R1.31 CNCc1cc(cc(c1)C(=O)C)C 26a_100102657272_100009855872 [1,1,0,0,1,0|1,0,0]=4 3095 B13R1.375 COCc1cccc(c1)S(=O)(=O)C 34a_100012180062_200000210301 [1,1,0,0,1,0|1,0,0]=4 3096 B13R1.375 COCc1cccc(c1)S(=O)(=O)C 34a_100138415774_100009817112 [1,1,0,0,1,0|1,0,0]=4 3097 B13R1.375 COCc1cccc(c1)S(=O)(=O)C 7a_100012180062_200000210301 [1,1,0,0,1,0|1,0,0]=4 3098 B13R1.375 CS(=O)(=O)c1cccc(c1)CO[13CH3] 34a_100012180062_200025704644 [1,1,0,0,1,0|1,0,0]=4 3099 B13R1.375 CS(=O)(=O)c1cccc(c1)CO[13CH3] 7a_100012180062_200025704644 [1,1,0,0,1,0|1,0,0]=4 3100 B13R1.377 C=C(C)c1cccc(c1C)COC 271570a_100000694244_100102485947 [1,1,0,0,1,0|1,0,0]=4 3101 B13R1.543 COC(=O)c1cccc(c1)C(=O)C 1458a_100000035267_200000210301 [1,1,0,0,1,0|0,0,1]=4 3102 B13R1.543 COC(=O)c1cccc(c1)C(=O)[13CH3] 1458a_100000035267_200025704644 [1,1,0,0,1,0|0,0,1]=4 3103 B13R1.568 C=C(C)c1cccc(c1)COCC 271570a_100000694244_100011493694 [1,1,0,0,1,0|1,0,0]=4 3104 B13R1.568 C=C(C)c1cccc(c1)OCOC 271570a_100000694244_100012265688 [1,1,0,0,1,0|1,0,0]=4 3105 B13R1.568 C=C(C)c1cccc(c1)SCOC 62a_100000766300_100012123953 [1,1,0,0,1,0|1,0,0]=4 3106 B13R1.568 C=C(C)c1cccc(c1)SCOC 62a_100012123953_100000766300 [1,1,0,0,1,0|1,0,0]=4 3107 B13R1.568 CC(=O)c1cccc(c1)CSCF 62a_100000084091_100015361967 [1,1,0,0,1,0|0,1,0]=4 3108 B13R1.568 CC(=O)c1cccc(c1)CSCF 62a_100015361967_100000084091 [1,1,0,0,1,0|0,1,0]=4 3109 B13R1.568 CCCCc1cccc(c1)C(=O)C 1458a_100012178757_200000210301 [1,1,0,0,1,0|1,0,0]=4 3110 B13R1.568 CCCCc1cccc(c1)C(=O)C 271570a_100020621405_100000210093 [1,1,0,0,1,0|1,0,0]=4 3111 B13R1.568 CCCCc1cccc(c1)C(=O)[13CH3] 1458a_100012178757_200025704644 [1,1,0,0,1,0|1,0,0]=4 3112 B13R1.568 CCCOc1cccc(c1)C(=O)C 1458a_100000216339_200000210301 [1,1,0,0,1,0|1,0,0]=4 3113 B13R1.568 CCCOc1cccc(c1)C(=O)C 34a_100000211620_100000210303 [1,1,0,0,1,0|1,0,0]=4 3114 B13R1.568 CCCOc1cccc(c1)C(=O)C 7a_100000211620_100000210303 [1,1,0,0,1,0|1,0,0]=4 3115 B13R1.568 CCCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216339_200025704644 [1,1,0,0,1,0|1,0,0]=4 3116 B13R1.568 CCCSc1cccc(c1)C(=O)C 62a_100000210093_100000210303 [1,1,0,0,1,0|1,0,0]=4 3117 B13R1.568 CCCSc1cccc(c1)C(=O)C 62a_100000210303_100000210093 [1,1,0,0,1,0|1,0,0]=4 3118 B13R1.568 CCNCc1cccc(c1)C(=O)C 2230a_100015525214_100000084091 [1,1,0,0,1,0|1,0,0]=4 3119 B13R1.568 CCOCc1cccc(c1)C(=O)C 34a_100121572206_100000084091 [1,1,0,0,1,0|0,0,0]=3 3120 B13R1.568 CCOCc1cccc(c1)C(=O)N 34a_100121572206_100000738444 [1,1,0,0,1,0|1,0,0]=4 3121 B13R1.568 CCSCc1cccc(c1)C(=O)C 62a_100000084091_100000210202 [1,1,0,0,1,0|0,1,0]=4 3122 B13R1.568 CCSCc1cccc(c1)C(=O)C 62a_100000210202_100000084091 [1,1,0,0,1,0|0,1,0]=4 3123 B13R1.568 COCSc1cc(ccn1)C(=O)C 62a_100000685609_100000766300 [1,1,0,0,1,0|1,0,0]=4 3124 B13R1.568 COCSc1cc(ccn1)C(=O)C 62a_100000766300_100000685609 [1,1,0,0,1,0|1,0,0]=4 3125 B13R1.568 COCSc1cccc(c1)C(=O)C 62a_100000210093_100000766300 [1,1,0,0,1,0|0,0,0]=3 3126 B13R1.568 COCSc1cccc(c1)C(=O)C 62a_100000766300_100000210093 [1,1,0,0,1,0|0,0,0]=3 3127 B13R1.568 COCSc1cccc(c1)C(=O)N 62a_100000162208_100000766300 [1,1,0,0,1,0|1,0,0]=4 3128 B13R1.568 COCSc1cccc(c1)C(=O)N 62a_100000766300_100000162208 [1,1,0,0,1,0|1,0,0]=4 3129 B13R1.568 COCSc1cccc(c1)S(=O)C 62a_100000766300_100009816267 [1,1,0,0,1,0|1,0,0]=4 3130 B13R1.568 COCSc1cccc(c1)S(=O)C 62a_100009816267_100000766300 [1,1,0,0,1,0|1,0,0]=4 3131 B13R1.568 COCSc1cccc(n1)C(=O)C 62a_100000766300_100009816502 [1,1,0,0,1,0|1,0,0]=4 3132 B13R1.568 COCSc1cccc(n1)C(=O)C 62a_100009816502_100000766300 [1,1,0,0,1,0|1,0,0]=4 3133 B13R1.568 COCSc1ccnc(c1)C(=O)C 62a_100000709912_100000766300 [1,1,0,0,1,0|1,0,0]=4 3134 B13R1.568 COCSc1ccnc(c1)C(=O)C 62a_100000766300_100000709912 [1,1,0,0,1,0|1,0,0]=4 3135 B13R1.568 COCSc1cncc(c1)C(=O)C 62a_100000766300_100011216243 [1,1,0,0,1,0|1,0,0]=4 3136 B13R1.568 COCSc1cncc(c1)C(=O)C 62a_100011216243_100000766300 [1,1,0,0,1,0|1,0,0]=4 3137 B13R1.568 CSCOc1cccc(c1)C(=O)C 34a_100000211620_100011218213 [1,1,0,0,1,0|0,1,0]=4 3138 B13R1.568 CSCSc1cccc(c1)C(=O)C 62a_100000210093_100011218213 [1,1,0,0,1,0|0,1,0]=4 3139 B13R1.568 CSCSc1cccc(c1)C(=O)C 62a_100011218213_100000210093 [1,1,0,0,1,0|0,1,0]=4 3140 B15R1.699 C=C(C)CNc1cc(cc(c1O)Br)OC 34a_200010008348_100000748629 [1,1,0,0,0,1|1,0,0]=4 3141 B15R1.699 COc1cc(c(c(c1)NCC(=O)N)O)Br 34a_200010008348_100000187820 [1,1,0,0,0,1|1,0,0]=4 3142 B15R1.699 COc1cc(c(c(c1)NCC(=O)[O-])O)Br 34a_200010008348_100020667443 [1,1,0,0,0,1|1,0,0]=4 3143 B15R1.876 C=C(C)CNc1cc(ccc1O)C(C)C 34a_200000187366_100000748629 [1,1,0,0,0,1|1,0,0]=4 3144 B15R1.876 C=C(C)CNc1cc(ccc1O)C(C)C 7a_200000187366_100000748629 [1,1,0,0,0,1|1,0,0]=4 3145 B15R1.876 CC(C)c1ccc(c(c1)NCC(=O)N)O 34a_200000187366_100000187820 [1,1,0,0,0,1|1,0,0]=4 3146 B15R1.876 CC(C)c1ccc(c(c1)NCC(=O)N)O 7a_200000187366_100000187820 [1,1,0,0,0,1|1,0,0]=4 3147 B15R1.876 CC(C)c1ccc(c(c1)NCC(=O)[O-])O 34a_200000187366_100020667443 [1,1,0,0,0,1|1,0,0]=4 3148 B15R1.1863 COc1ccc(c(c1)C(=O)CC(=O)C)O 1458a_100000070787_100010402061 [1,1,0,0,0,1|1,0,0]=4 3149 B15R1.1863 COc1ccc(c(c1)C(C)NC(=O)C)F 11a_100102422779_100015343762 [1,1,0,0,0,1|1,0,0]=4 3150 B15R1.1863 COc1ccc(c(c1)C(C)NC(=O)C)F 1626a_100102422779_100015343762 [1,1,0,0,0,1|1,0,0]=4 3151 B15R1.1863 COc1ccc(c(c1)C(C)NC(=O)C)F 240690a_100102422779_100015343762 [1,1,0,0,0,1|1,0,0]=4 3152 B15R1.1863 COc1ccc(c(c1)C(C)NC(=O)C)F 527a_100102422779_100103153847 [1,1,0,0,0,1|1,0,0]=4 3153 B15R1.1863 COc1ccc(c(c1)[C@H](C)NC(=O)C)Br 11a_200015425320_100015343762 [1,1,0,0,0,1|1,0,0]=4 3154 B15R1.1863 COc1ccc(c(c1)[C@H](C)NC(=O)C)Br 1626a_200015425320_100015343762 [1,1,0,0,0,1|1,0,0]=4 3155 B15R1.1863 COc1ccc(c(c1)[C@H](C)NC(=O)C)Br 240690a_200015425320_100015343762 [1,1,0,0,0,1|1,0,0]=4 3156 B15R1.1863 COc1ccc(c(c1)[C@H](C)NC(=O)C)Br 527a_200015425320_100103153847 [1,1,0,0,0,1|1,0,0]=4 3157 B15R1.1866 COc1ccc(c(c1Cl)CNC(=O)C)F 11a_100000062220_100015343762 [1,1,0,0,0,1|1,0,0]=4 3158 B15R1.1866 COc1ccc(c(c1Cl)CNC(=O)C)F 1626a_100000062220_100015343762 [1,1,0,0,0,1|1,0,0]=4 3159 B15R1.1866 COc1ccc(c(c1Cl)CNC(=O)C)F 240690a_100000062220_100015343762 [1,1,0,0,0,1|1,0,0]=4 3160 B15R1.1866 COc1ccc(c(c1Cl)CNC(=O)C)F 527a_100000062220_100103153847 [1,1,0,0,0,1|1,0,0]=4 3161 B15R1.1866 COc1ccc(c(c1F)CNC(=O)C)Cl 11a_115082355833_100015343762 [1,1,0,0,0,1|1,0,0]=4 3162 B15R1.1866 COc1ccc(c(c1F)CNC(=O)C)Cl 1626a_115082355833_100015343762 [1,1,0,0,0,1|1,0,0]=4 3163 B15R1.1866 COc1ccc(c(c1F)CNC(=O)C)Cl 240690a_115082355833_100015343762 [1,1,0,0,0,1|1,0,0]=4 3164 B15R1.1866 COc1ccc(c(c1F)CNC(=O)C)Cl 527a_115082355833_100103153847 [1,1,0,0,0,1|1,0,0]=4 3165 B15R1.1866 COc1ccc(c(c1F)CNC(=O)C)F 11a_114901603625_100015343762 [1,1,0,0,0,1|1,0,0]=4 3166 B15R1.1866 COc1ccc(c(c1F)CNC(=O)C)F 1626a_114901603625_100015343762 [1,1,0,0,0,1|1,0,0]=4 3167 B15R1.1866 COc1ccc(c(c1F)CNC(=O)C)F 240690a_114901603625_100015343762 [1,1,0,0,0,1|1,0,0]=4 3168 B15R1.1866 COc1ccc(c(c1F)CNC(=O)C)F 527a_114901603625_100103153847 [1,1,0,0,0,1|1,0,0]=4 3169 B15R1.1880 CCC(=O)CNc1cc(ccc1C)CC 7a_200012022522_100000747405 [1,1,0,0,0,1|1,0,0]=4 3170 B15R1.1880 CCC(=O)CSc1cc(ccc1O)CC 62a_100000747405_100012339963 [1,1,0,0,0,1|1,0,0]=4 3171 B15R1.1880 CCC(=O)CSc1cc(ccc1O)CC 62a_100012339963_100000747405 [1,1,0,0,0,1|1,0,0]=4 3172 B15R1.1880 CCC(=O)CSc1cc(ccc1O)CO 62a_100000747405_100011191544 [1,1,0,0,0,1|1,0,0]=4 3173 B15R1.1880 CCC(=O)CSc1cc(ccc1O)CO 62a_100011191544_100000747405 [1,1,0,0,0,1|1,0,0]=4 3174 B15R1.1880 CCC(=O)CSc1cc(ccc1O)OC 62a_100000747405_100000685887 [1,1,0,0,0,1|1,0,0]=4 3175 B15R1.1880 CCC(=O)NCc1cc(ccc1Br)OC 11a_100000741592_100000210414 [1,1,0,0,0,1|1,0,0]=4 3176 B15R1.1880 CCC(=O)NCc1cc(ccc1Br)OC 1626a_100000741592_100000210414 [1,1,0,0,0,1|1,0,0]=4 3177 B15R1.1880 CCC(=O)NCc1cc(ccc1Br)OC 240690a_100000741592_100000210414 [1,1,0,0,0,1|1,0,0]=4 3178 B15R1.1880 CCC(=O)NCc1cc(ccc1Br)OC 527a_100000741592_100000210414 [1,1,0,0,0,1|1,0,0]=4 3179 B15R1.1880 CCC(=O)NCc1cc(ccc1C)OC 11a_100012180165_100000210414 [1,1,0,0,0,1|1,0,0]=4 3180 B15R1.1880 CCC(=O)NCc1cc(ccc1C)OC 1626a_100012180165_100000210414 [1,1,0,0,0,1|1,0,0]=4 3181 B15R1.1880 CCC(=O)NCc1cc(ccc1C)OC 240690a_100012180165_100000210414 [1,1,0,0,0,1|1,0,0]=4 3182 B15R1.1880 CCC(=O)NCc1cc(ccc1C)OC 527a_100012180165_100000210414 [1,1,0,0,0,1|1,0,0]=4 3183 B15R1.1880 CCC(=O)NCc1cc(ccc1F)OC 11a_100016995475_100000210414 [1,1,0,0,0,1|1,0,0]=4 3184 B15R1.1880 CCC(=O)NCc1cc(ccc1F)OC 1626a_100016995475_100000210414 [1,1,0,0,0,1|1,0,0]=4 3185 B15R1.1880 CCC(=O)NCc1cc(ccc1F)OC 240690a_100016995475_100000210414 [1,1,0,0,0,1|1,0,0]=4 3186 B15R1.1880 CCC(=O)NCc1cc(ccc1F)OC 527a_100016995475_100000210414 [1,1,0,0,0,1|1,0,0]=4 3187 B15R1.1880 CCC(=O)NNc1cc(ccc1Cl)OC 22a_200000763216_100000210414 [1,1,0,0,0,1|1,0,0]=4 3188 B15R1.1880 CCc1ccc(c(c1)NCC(=O)NC)C 2230a_200012022522_100000183359 [1,1,0,0,0,1|1,0,0]=4 3189 B15R1.1880 CCc1ccc(c(c1)NCC(=O)NC)C 34a_200012022522_100000183359 [1,1,0,0,0,1|1,0,0]=4 3190 B15R1.1880 CCc1ccc(c(c1)NCC(=O)NC)C 7a_200012022522_100000183359 [1,1,0,0,0,1|1,0,0]=4 3191 B15R1.1880 CCc1ccc(c(c1)NCC(=O)NC)O 34a_100000765835_100000183359 [1,1,0,0,0,1|0,0,0]=3 3192 B15R1.1880 CCc1ccc(c(c1)NCC(=O)OC)C 2230a_200012022522_100000747449 [1,1,0,0,0,1|1,0,0]=4 3193 B15R1.1880 CCc1ccc(c(c1)NCC(=O)OC)C 34a_200012022522_100000747449 [1,1,0,0,0,1|1,0,0]=4 3194 B15R1.1880 CCc1ccc(c(c1)NCC(=O)OC)C 7a_200012022522_100000747449 [1,1,0,0,0,1|1,0,0]=4 3195 B15R1.1880 CCc1ccc(c(c1)NCC(=O)OC)O 34a_100000765835_100000747449 [1,1,0,0,0,1|0,0,0]=3 3196 B15R1.1880 CCc1ccc(c(c1)SCC(=O)NC)O 62a_100000183359_100012339963 [1,1,0,0,0,1|1,0,0]=4 3197 B15R1.1880 CCc1ccc(c(c1)SCC(=O)NC)O 62a_100012339963_100000183359 [1,1,0,0,0,1|1,0,0]=4 3198 B15R1.1880 CCc1ccc(c(c1)SCC(=O)OC)O 62a_100000747449_100012339963 [1,1,0,0,0,1|1,0,0]=4 3199 B15R1.1880 CCc1ccc(c(c1)SCC(=O)OC)O 62a_100012339963_100000747449 [1,1,0,0,0,1|1,0,0]=4 3200 B15R1.1880 CNC(=O)CNc1cc(ccc1Br)CO 34a_100012347568_100000183359 [1,1,0,0,0,1|1,0,0]=4 3201 B15R1.1880 CNC(=O)CNc1cc(ccc1Br)OC 34a_100000748603_100000183359 [1,1,0,0,0,1|1,0,0]=4 3202 B15R1.1880 CNC(=O)CNc1cc(ccc1C)CO 2230a_100000758420_100000183359 [1,1,0,0,0,1|1,0,0]=4 3203 B15R1.1880 CNC(=O)CNc1cc(ccc1C)CO 34a_100000758420_100000183359 [1,1,0,0,0,1|1,0,0]=4 3204 B15R1.1880 CNC(=O)CNc1cc(ccc1C)OC 2230a_100000760359_100000183359 [1,1,0,0,0,1|1,0,0]=4 3205 B15R1.1880 CNC(=O)CNc1cc(ccc1C)OC 34a_100000760359_100000183359 [1,1,0,0,0,1|1,0,0]=4 3206 B15R1.1880 CNC(=O)CNc1cc(ccc1Cl)CO 34a_106256033963_100000183359 [1,1,0,0,0,1|1,0,0]=4 3207 B15R1.1880 CNC(=O)CNc1cc(ccc1Cl)OC 34a_100000745576_100000183359 [1,1,0,0,0,1|1,0,0]=4 3208 B15R1.1880 CNC(=O)CNc1cc(ccc1F)CO 2230a_102125399562_100000183359 [1,1,0,0,0,1|1,0,0]=4 3209 B15R1.1880 CNC(=O)CNc1cc(ccc1F)CO 34a_102125399562_100000183359 [1,1,0,0,0,1|1,0,0]=4 3210 B15R1.1880 CNC(=O)CNc1cc(ccc1F)OC 34a_100000764331_100000183359 [1,1,0,0,0,1|1,0,0]=4 3211 B15R1.1880 CNC(=O)CNc1cc(ccc1I)OC 34a_100000748021_100000183359 [1,1,0,0,0,1|1,0,0]=4 3212 B15R1.1880 CNC(=O)CNc1cc(ccc1O)CO 34a_100000123545_100000183359 [1,1,0,0,0,1|0,0,0]=3 3213 B15R1.1880 CNC(=O)CNc1cc(ccc1O)OC 34a_100000188146_100000183359 [1,1,0,0,0,1|0,0,0]=3 3214 B15R1.1880 CNC(=O)CSc1cc(ccc1O)CO 62a_100000183359_100011191544 [1,1,0,0,0,1|1,0,0]=4 3215 B15R1.1880 CNC(=O)CSc1cc(ccc1O)CO 62a_100011191544_100000183359 [1,1,0,0,0,1|1,0,0]=4 3216 B15R1.1880 CNC(=O)CSc1cc(ccc1O)OC 62a_100000183359_100000685887 [1,1,0,0,0,1|1,0,0]=4 3217 B15R1.1880 CNC(=O)NCc1cc(ccc1Br)OC 2708a_100000741592_106832991635 [1,1,0,0,0,1|1,0,0]=4 3218 B15R1.1880 CNC(=O)NCc1cc(ccc1Br)OC 2708a_100102657272_100000741592 [1,1,0,0,0,1|1,0,0]=4 3219 B15R1.1880 CNC(=O)NCc1cc(ccc1Br)OC 273464a_100000741592_100102657272 [1,1,0,0,0,1|1,0,0]=4 3220 B15R1.1880 CNC(=O)NCc1cc(ccc1Br)OC 273464a_100102657272_100000741592 [1,1,0,0,0,1|1,0,0]=4 3221 B15R1.1880 CNC(=O)NCc1cc(ccc1Br)OC 512a_100000741592_100102657272 [1,1,0,0,0,1|1,0,0]=4 3222 B15R1.1880 CNC(=O)NCc1cc(ccc1Br)OC 512a_106832991638_100000741592 [1,1,0,0,0,1|1,0,0]=4 3223 B15R1.1880 CNC(=O)NCc1cc(ccc1C)OC 2708a_100012180165_106832991635 [1,1,0,0,0,1|1,0,0]=4 3224 B15R1.1880 CNC(=O)NCc1cc(ccc1C)OC 2708a_100102657272_100012180165 [1,1,0,0,0,1|1,0,0]=4 3225 B15R1.1880 CNC(=O)NCc1cc(ccc1C)OC 273464a_100012180165_100102657272 [1,1,0,0,0,1|1,0,0]=4 3226 B15R1.1880 CNC(=O)NCc1cc(ccc1C)OC 273464a_100102657272_100012180165 [1,1,0,0,0,1|1,0,0]=4 3227 B15R1.1880 CNC(=O)NCc1cc(ccc1C)OC 512a_100012180165_100102657272 [1,1,0,0,0,1|1,0,0]=4 3228 B15R1.1880 CNC(=O)NCc1cc(ccc1C)OC 512a_106832991638_100012180165 [1,1,0,0,0,1|1,0,0]=4 3229 B15R1.1880 CNC(=O)NCc1cc(ccc1F)OC 2708a_100016995475_106832991635 [1,1,0,0,0,1|1,0,0]=4 3230 B15R1.1880 CNC(=O)NCc1cc(ccc1F)OC 2708a_100102657272_100016995475 [1,1,0,0,0,1|1,0,0]=4 3231 B15R1.1880 CNC(=O)NCc1cc(ccc1F)OC 273464a_100016995475_100102657272 [1,1,0,0,0,1|1,0,0]=4 3232 B15R1.1880 CNC(=O)NCc1cc(ccc1F)OC 273464a_100102657272_100016995475 [1,1,0,0,0,1|1,0,0]=4 3233 B15R1.1880 CNC(=O)NCc1cc(ccc1F)OC 512a_100016995475_100102657272 [1,1,0,0,0,1|1,0,0]=4 3234 B15R1.1880 CNC(=O)NCc1cc(ccc1F)OC 512a_106832991638_100016995475 [1,1,0,0,0,1|1,0,0]=4 3235 B15R1.1880 CNC(=O)NNc1cc(ccc1Cl)OC 273464a_100102657272_200000763216 [1,1,0,0,0,1|1,0,0]=4 3236 B15R1.1880 CNC(=O)NNc1cc(ccc1Cl)OC 512a_106832991638_200000763216 [1,1,0,0,0,1|1,0,0]=4 3237 B15R1.1880 COC(=O)CNc1cc(ccc1Br)CO 34a_100012347568_100000747449 [1,1,0,0,0,1|1,0,0]=4 3238 B15R1.1880 COC(=O)CNc1cc(ccc1Br)OC 34a_100000748603_100000747449 [1,1,0,0,0,1|1,0,0]=4 3239 B15R1.1880 COC(=O)CNc1cc(ccc1C)CO 2230a_100000758420_100000747449 [1,1,0,0,0,1|1,0,0]=4 3240 B15R1.1880 COC(=O)CNc1cc(ccc1C)CO 34a_100000758420_100000747449 [1,1,0,0,0,1|1,0,0]=4 3241 B15R1.1880 COC(=O)CNc1cc(ccc1C)OC 2230a_100000760359_100000747449 [1,1,0,0,0,1|1,0,0]=4 3242 B15R1.1880 COC(=O)CNc1cc(ccc1C)OC 34a_100000760359_100000747449 [1,1,0,0,0,1|1,0,0]=4 3243 B15R1.1880 COC(=O)CNc1cc(ccc1Cl)CO 34a_106256033963_100000747449 [1,1,0,0,0,1|1,0,0]=4 3244 B15R1.1880 COC(=O)CNc1cc(ccc1Cl)OC 34a_100000745576_100000747449 [1,1,0,0,0,1|1,0,0]=4 3245 B15R1.1880 COC(=O)CNc1cc(ccc1F)CO 2230a_102125399562_100000747449 [1,1,0,0,0,1|1,0,0]=4 3246 B15R1.1880 COC(=O)CNc1cc(ccc1F)CO 34a_102125399562_100000747449 [1,1,0,0,0,1|1,0,0]=4 3247 B15R1.1880 COC(=O)CNc1cc(ccc1F)OC 34a_100000764331_100000747449 [1,1,0,0,0,1|1,0,0]=4 3248 B15R1.1880 COC(=O)CNc1cc(ccc1I)OC 34a_100000748021_100000747449 [1,1,0,0,0,1|1,0,0]=4 3249 B15R1.1880 COC(=O)CNc1cc(ccc1O)CO 34a_100000123545_100000747449 [1,1,0,0,0,1|0,0,0]=3 3250 B15R1.1880 COC(=O)CNc1cc(ccc1O)OC 34a_100000188146_100000747449 [1,1,0,0,0,1|0,0,0]=3 3251 B15R1.1880 COC(=O)CSc1cc(ccc1O)CO 62a_100000747449_100011191544 [1,1,0,0,0,1|1,0,0]=4 3252 B15R1.1880 COC(=O)CSc1cc(ccc1O)CO 62a_100011191544_100000747449 [1,1,0,0,0,1|1,0,0]=4 3253 B15R1.1880 COC(=O)CSc1cc(ccc1O)OC 62a_100000747449_100000685887 [1,1,0,0,0,1|1,0,0]=4 3254 B15R1.1880 COc1ccc(c(c1)CNC(=O)CO)Br 240690a_100000741592_100000210174 [1,1,0,0,0,1|1,0,0]=4 3255 B15R1.1880 COc1ccc(c(c1)CNC(=O)CO)Br 527a_100000741592_100000210174 [1,1,0,0,0,1|1,0,0]=4 3256 B15R1.1880 COc1ccc(c(c1)CNC(=O)CO)C 240690a_100012180165_100000210174 [1,1,0,0,0,1|1,0,0]=4 3257 B15R1.1880 COc1ccc(c(c1)CNC(=O)CO)C 527a_100012180165_100000210174 [1,1,0,0,0,1|1,0,0]=4 3258 B15R1.1880 COc1ccc(c(c1)CNC(=O)CO)F 240690a_100016995475_100000210174 [1,1,0,0,0,1|1,0,0]=4 3259 B15R1.1880 COc1ccc(c(c1)CNC(=O)CO)F 527a_100016995475_100000210174 [1,1,0,0,0,1|1,0,0]=4 3260 B15R1.1880 COc1ccc(c(c1)NNC(=O)CO)Cl 22a_200000763216_100000210174 [1,1,0,0,0,1|1,0,0]=4 3261 B15R1.1882 C=C(C)CNc1cc(ccc1CO)OC 34a_100011998734_100000748629 [1,1,0,0,0,1|1,0,0]=4 3262 B15R1.1882 C=C(C)CNc1cc(ccc1OC)CC 2230a_100012035449_100000748629 [1,1,0,0,0,1|1,0,0]=4 3263 B15R1.1882 C=C(C)CNc1cc(ccc1OC)CC 34a_100012035449_100000748629 [1,1,0,0,0,1|1,0,0]=4 3264 B15R1.1882 C=C(C)CNc1cc(ccc1OC)CO 2230a_100011269841_100000748629 [1,1,0,0,0,1|1,0,0]=4 3265 B15R1.1882 C=C(C)CNc1cc(ccc1OC)CO 34a_100011269841_100000748629 [1,1,0,0,0,1|1,0,0]=4 3266 B15R1.1882 C=C(C)CNc1cc(ccc1OC)OC 2230a_100000184736_100000748629 [1,1,0,0,0,1|1,0,0]=4 3267 B15R1.1882 C=C(C)CNc1cc(ccc1OC)OC 34a_100000184736_100000748629 [1,1,0,0,0,1|1,0,0]=4 3268 B15R1.1882 CCc1ccc(c(c1)NCC(=O)N)OC 2230a_100012035449_100000747473 [1,1,0,0,0,1|1,0,0]=4 3269 B15R1.1882 CCc1ccc(c(c1)NCC(=O)N)OC 34a_100012035449_100000187820 [1,1,0,0,0,1|1,0,0]=4 3270 B15R1.1882 CCc1ccc(c(c1)NCC(=O)[O-])OC 34a_100012035449_100020667443 [1,1,0,0,0,1|1,0,0]=4 3271 B15R1.1882 COC1=CC(=NNC(=O)C)/C(=N\O)/C=C1 4a_100000189765_100054098848 [1,1,0,0,0,1|0,0,0]=3 3272 B15R1.1882 COc1ccc(c(c1)C=CC(=O)C)OC 1458a_100000185123_200000210301 [1,1,0,0,0,1|1,0,0]=4 3273 B15R1.1882 COc1ccc(c(c1)C=CC(=O)[13CH3])OC 1458a_100000185123_200025704644 [1,1,0,0,0,1|1,0,0]=4 3274 B15R1.1882 COc1ccc(c(c1)CCC(=O)C)OC 1458a_100000736209_200000210301 [1,1,0,0,0,1|1,0,0]=4 3275 B15R1.1882 COc1ccc(c(c1)CCC(=O)[13CH3])OC 1458a_100000736209_200025704644 [1,1,0,0,0,1|1,0,0]=4 3276 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 11a_100000185951_100015343762 [1,1,0,0,0,1|0,0,0]=3 3277 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 1626a_100000185951_100015343762 [1,1,0,0,0,1|0,0,0]=3 3278 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 240690a_100000185951_100015343762 [1,1,0,0,0,1|0,0,0]=3 3279 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 527a_100000185951_100103153847 [1,1,0,0,0,1|0,0,0]=3 3280 B15R1.1882 COc1ccc(c(c1)NCC(=O)N)CO 34a_100011998734_100000187820 [1,1,0,0,0,1|1,0,0]=4 3281 B15R1.1882 COc1ccc(c(c1)NCC(=O)N)OC 2230a_100000184736_100000747473 [1,1,0,0,0,1|1,0,0]=4 3282 B15R1.1882 COc1ccc(c(c1)NCC(=O)N)OC 34a_100000184736_100000187820 [1,1,0,0,0,1|1,0,0]=4 3283 B15R1.1882 COc1ccc(c(c1)NCC(=O)[O-])CO 34a_100011998734_100020667443 [1,1,0,0,0,1|1,0,0]=4 3284 B15R1.1882 COc1ccc(c(c1)NCC(=O)[O-])OC 34a_100000184736_100020667443 [1,1,0,0,0,1|1,0,0]=4 3285 B15R1.1882 COc1ccc(cc1NCC(=O)N)CO 2230a_100011269841_100000747473 [1,1,0,0,0,1|1,0,0]=4 3286 B15R1.1882 COc1ccc(cc1NCC(=O)N)CO 34a_100011269841_100000187820 [1,1,0,0,0,1|1,0,0]=4 3287 B15R1.1882 COc1ccc(cc1NCC(=O)[O-])CO 34a_100011269841_100020667443 [1,1,0,0,0,1|1,0,0]=4 3288 B15R1.4602 C=C(C)C(=O)Nc1cc(ccc1O)CC 22a_100000765835_100000185857 [1,1,0,0,0,1|1,0,0]=4 3289 B15R1.4602 C=C(C)C(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000185857 [1,1,0,0,0,1|1,0,0]=4 3290 B15R1.4602 C=C(C)C(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000185857 [1,1,0,0,0,1|1,0,0]=4 3291 B15R1.4602 CC(=O)C(C)Nc1cc(ccc1C)CO 2230a_100000758420_100009814033 [1,1,0,0,0,1|1,0,0]=4 3292 B15R1.4602 CC(=O)C(C)Nc1cc(ccc1F)CO 2230a_102125399562_100009814033 [1,1,0,0,0,1|1,0,0]=4 3293 B15R1.4602 CC(=O)C(C)Sc1cc(ccc1O)CO 62a_100009814033_100011191544 [1,1,0,0,0,1|1,0,0]=4 3294 B15R1.4602 CC(=O)C(C)Sc1cc(ccc1O)CO 62a_100011191544_100009814033 [1,1,0,0,0,1|1,0,0]=4 3295 B15R1.4602 CC(Nc1cc(ccc1O)CO)C(=O)N 34a_100000123545_100000702099 [1,1,0,0,0,1|1,0,0]=4 3296 B15R1.4602 CCc1ccc(c(c1)NC(=O)C(=O)N)O 22a_100000765835_100011215815 [1,1,0,0,0,1|1,0,0]=4 3297 B15R1.4602 CCc1ccc(c(c1)NC(C)C(=O)C)C 2230a_200012022522_100009814033 [1,1,0,0,0,1|1,0,0]=4 3298 B15R1.4602 CCc1ccc(c(c1)NC(C)C(=O)C)C 7a_200012022522_100000179758 [1,1,0,0,0,1|1,0,0]=4 3299 B15R1.4602 CCc1ccc(c(c1)NC(C)C(=O)N)O 34a_100000765835_100000702099 [1,1,0,0,0,1|1,0,0]=4 3300 B15R1.4602 CCc1ccc(c(c1)NC(F)C(=O)N)O 34a_100000765835_100009813875 [1,1,0,0,0,1|1,0,0]=4 3301 B15R1.4602 CCc1ccc(c(c1)NC(F)C(=O)[O-])O 34a_100000765835_100020610796 [1,1,0,0,0,1|1,0,0]=4 3302 B15R1.4602 CCc1ccc(c(c1)SC(C)C(=O)C)O 62a_100009814033_100012339963 [1,1,0,0,0,1|1,0,0]=4 3303 B15R1.4602 CCc1ccc(c(c1)SC(C)C(=O)C)O 62a_100012339963_100009814033 [1,1,0,0,0,1|1,0,0]=4 3304 B15R1.4602 COc1ccc(c(c1)NC(=O)C(=O)N)O 22a_100000188146_100011215815 [1,1,0,0,0,1|1,0,0]=4 3305 B15R1.4602 COc1ccc(c(c1)NC(C)C(=O)C)C 2230a_100000760359_100009814033 [1,1,0,0,0,1|1,0,0]=4 3306 B15R1.4602 COc1ccc(c(c1)NC(C)C(=O)N)O 34a_100000188146_100000702099 [1,1,0,0,0,1|1,0,0]=4 3307 B15R1.4602 COc1ccc(c(c1)NC(F)C(=O)N)O 34a_100000188146_100009813875 [1,1,0,0,0,1|1,0,0]=4 3308 B15R1.4602 COc1ccc(c(c1)NC(F)C(=O)[O-])O 34a_100000188146_100020610796 [1,1,0,0,0,1|1,0,0]=4 3309 B15R1.4602 COc1ccc(c(c1)SC(C)C(=O)C)O 62a_100009814033_100000685887 [1,1,0,0,0,1|1,0,0]=4 3310 B15R1.4602 NC(=O)C(=O)Nc1cc(ccc1O)CO 22a_100000123545_100011215815 [1,1,0,0,0,1|1,0,0]=4 3311 B15R1.4602 NC(=O)C(F)Nc1cc(ccc1O)CO 34a_100000123545_100009813875 [1,1,0,0,0,1|1,0,0]=4 3312 B15R1.4602 O=C([O-])C(F)Nc1cc(ccc1O)CO 34a_100000123545_100020610796 [1,1,0,0,0,1|1,0,0]=4 3313 B15R1.567 C=C(C)C(=O)Nc1cccc(c1)COC 11a_100000737370_100000185857 [1,1,0,0,0,1|1,0,0]=4 3314 B15R1.567 C=C(C)C(=O)Nc1cccc(c1)COC 1626a_100000737370_100000185857 [1,1,0,0,0,1|1,0,0]=4 3315 B15R1.567 C=C(C)C(=O)Nc1cccc(c1)COC 22a_100000737370_100000185857 [1,1,0,0,0,1|1,0,0]=4 3316 B15R1.567 COCc1cccc(c1)NC(=O)C(=O)N 22a_100000737370_100011215815 [1,1,0,0,0,1|1,0,0]=4 3317 B15R1.567 COCc1cccc(c1)NC(C)C(=O)C 2230a_100000737370_100009814033 [1,1,0,0,0,1|0,0,0]=3 3318 B15R1.567 COCc1cccc(c1)NC(C)C(=O)N 2230a_100000737370_100000702099 [1,1,0,0,0,1|1,0,0]=4 3319 B15R1.567 COCc1cccc(c1)NC(C)C(=O)N 34a_100000737370_100000702099 [1,1,0,0,0,1|1,0,0]=4 3320 B15R1.567 COCc1cccc(c1)NC(F)C(=O)N 2230a_100000737370_100009813875 [1,1,0,0,0,1|1,0,0]=4 3321 B15R1.567 COCc1cccc(c1)NC(F)C(=O)N 34a_100000737370_100009813875 [1,1,0,0,0,1|1,0,0]=4 3322 B15R1.567 COCc1cccc(c1)NC(F)C(=O)[O-] 34a_100000737370_100020610796 [1,1,0,0,0,1|1,0,0]=4 3323 B15R1.567 COCc1cccc(c1)SC(C)C(=O)C 62a_100009814033_100011493687 [1,1,0,0,0,1|1,0,0]=4 3324 B15R1.567 COCc1cccc(c1)SC(C)C(=O)C 62a_100011493687_100009814033 [1,1,0,0,0,1|1,0,0]=4 3325 B15R1.569 CCC(=O)CSc1cccc(c1)COC 62a_100000747405_100011493687 [1,1,0,0,0,1|1,0,0]=4 3326 B15R1.569 CCC(=O)CSc1cccc(c1)COC 62a_100011493687_100000747405 [1,1,0,0,0,1|1,0,0]=4 3327 B15R1.569 CNC(=O)CNc1cccc(c1)COC 2230a_100000737370_100000183359 [1,1,0,0,0,1|0,0,0]=3 3328 B15R1.569 CNC(=O)CNc1cccc(c1)COC 34a_100000737370_100000183359 [1,1,0,0,0,1|0,0,0]=3 3329 B15R1.569 CNC(=O)CSc1cccc(c1)COC 62a_100000183359_100011493687 [1,1,0,0,0,1|1,0,0]=4 3330 B15R1.569 CNC(=O)CSc1cccc(c1)COC 62a_100011493687_100000183359 [1,1,0,0,0,1|1,0,0]=4 3331 B15R1.569 COCc1cccc(c1)NCC(=O)OC 2230a_100000737370_100000747449 [1,1,0,0,0,1|0,0,0]=3 3332 B15R1.569 COCc1cccc(c1)NCC(=O)OC 34a_100000737370_100000747449 [1,1,0,0,0,1|0,0,0]=3 3333 B15R1.569 COCc1cccc(c1)SCC(=O)OC 62a_100000747449_100011493687 [1,1,0,0,0,1|1,0,0]=4 3334 B15R1.569 COCc1cccc(c1)SCC(=O)OC 62a_100011493687_100000747449 [1,1,0,0,0,1|1,0,0]=4 3335 B15R1.967 COC(=O)c1cccc(c1)CNC(=O)C 188690a_100000742309_100015343762 [1,1,0,0,0,1|0,0,1]=4 3336 B15R1.1036 C=C(C)CNc1cccc(c1)OCOC 34a_100012265470_100000748629 [1,1,0,0,0,1|1,0,0]=4 3337 B15R1.1036 CCCCc1cccc(c1)CNC(=O)C 271570a_100020621405_100000766983 [1,1,0,0,0,1|1,0,0]=4 3338 B15R1.1036 CCCOc1cccc(c1)CNC(=O)C 11a_100000741052_100015343762 [1,1,0,0,0,1|1,0,0]=4 3339 B15R1.1036 CCCOc1cccc(c1)CNC(=O)C 1626a_100000741052_100015343762 [1,1,0,0,0,1|1,0,0]=4 3340 B15R1.1036 CCCOc1cccc(c1)CNC(=O)C 240690a_100000741052_100015343762 [1,1,0,0,0,1|1,0,0]=4 3341 B15R1.1036 CCCOc1cccc(c1)CNC(=O)C 527a_100000741052_100103153847 [1,1,0,0,0,1|1,0,0]=4 3342 B15R1.1036 CCCSc1cccc(c1)CNC(=O)C 62a_100000210303_100000766983 [1,1,0,0,0,1|1,0,0]=4 3343 B15R1.1036 CCCSc1cccc(c1)CNC(=O)C 62a_100000766983_100000210303 [1,1,0,0,0,1|1,0,0]=4 3344 B15R1.1036 COCOc1cccc(c1)NCC(=O)N 34a_100012265470_100000187820 [1,1,0,0,0,1|1,0,0]=4 3345 B15R1.1036 COCOc1cccc(c1)NCC(=O)[O-] 34a_100012265470_100020667443 [1,1,0,0,0,1|1,0,0]=4 3346 B15R1.1036 COCSc1cccc(c1)/C=C/C(=O)C 62a_100000766300_200016266566 [1,1,0,0,0,1|1,0,0]=4 3347 B15R1.1036 COCSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_100000766300 [1,1,0,0,0,1|1,0,0]=4 3348 B15R1.1036 COCSc1cccc(c1)CCC(=O)C 62a_100000766300_100011279149 [1,1,0,0,0,1|1,0,0]=4 3349 B15R1.1036 COCSc1cccc(c1)CCC(=O)C 62a_100011279149_100000766300 [1,1,0,0,0,1|1,0,0]=4 3350 B15R1.1036 COCSc1cccc(c1)CNC(=O)C 62a_100000766300_100000766983 [1,1,0,0,0,1|0,0,0]=3 3351 B15R1.1036 COCSc1cccc(c1)CNC(=O)C 62a_100000766983_100000766300 [1,1,0,0,0,1|0,0,0]=3 3352 B15R1.1036 COCSc1cccc(n1)NNC(=O)C 62a_100000766300_200000079166 [1,1,0,0,0,1|1,0,0]=4 3353 B15R1.1036 COCSc1cccc(n1)NNC(=O)C 62a_200000079166_100000766300 [1,1,0,0,0,1|1,0,0]=4 3354 B15R1.1036 CSCSc1cccc(c1)CNC(=O)C 62a_100000766983_100011218213 [1,1,0,0,0,1|0,1,0]=4 3355 B15R1.1036 CSCSc1cccc(c1)CNC(=O)C 62a_100011218213_100000766983 [1,1,0,0,0,1|0,1,0]=4 3356 B15R1.8936 CC(=O)NCc1cccc(c1)CN(C)C 11a_100000736310_100015343762 [1,1,0,0,0,1|1,0,0]=4 3357 B15R1.8936 CC(=O)NCc1cccc(c1)CN(C)C 240690a_100000736310_100015343762 [1,1,0,0,0,1|1,0,0]=4 3358 B15R1.8936 CC(=O)NCc1cccc(c1)CN(C)C 527a_100000736310_100103153847 [1,1,0,0,0,1|1,0,0]=4 3359 B15R1.715 C=CC(=O)Nc1cc(cc(c1O)Br)OC 22a_200010008348_100000185746 [1,2,0,0,0,0|0,0,1]=4 3360 B15R1.715 CCC(=O)Nc1cc(cc(c1O)Br)OC 11a_200010008348_100000210414 [1,2,0,0,0,0|0,0,0]=3 3361 B15R1.715 CCC(=O)Nc1cc(cc(c1O)Br)OC 22a_200010008348_100000210414 [1,2,0,0,0,0|0,0,0]=3 3362 B15R1.715 CCC(=O)Nc1cc(cc(c1O)Br)OC 527a_200010008348_100000210414 [1,2,0,0,0,0|0,0,0]=3 3363 B15R1.715 CNC(=O)Nc1cc(cc(c1O)Br)OC 2430a_200010008348_100102657272 [1,2,0,0,0,0|0,0,0]=3 3364 B15R1.715 COc1cc(c(c(c1)NC(=O)CO)O)Br 22a_200010008348_100000210174 [1,2,0,0,0,0|0,0,0]=3 3365 B15R1.715 COc1cc(c(c(c1)NC(=O)CO)O)Br 527a_200010008348_100000210174 [1,2,0,0,0,0|0,0,0]=3 3366 B15R1.716 COc1cc(c(c(c1)OC)Cl)NC(=O)C 11a_100009955059_100015343762 [1,2,0,0,0,0|1,0,0]=4 3367 B15R1.716 COc1cc(c(c(c1)OC)Cl)NC(=O)C 1626a_100009955059_100015343762 [1,2,0,0,0,0|1,0,0]=4 3368 B15R1.716 COc1cc(c(c(c1)OC)Cl)NC(=O)C 22a_100009955059_100000070787 [1,2,0,0,0,0|1,0,0]=4 3369 B15R1.716 COc1cc(c(c(c1)OC)Cl)NC(=O)C 527a_100009955059_100103153847 [1,2,0,0,0,0|1,0,0]=4 3370 B15R1.717 COc1cc(c(c(c1)NC(=O)C)C#N)F 11a_100025705643_100015343762 [1,2,0,0,0,0|1,0,0]=4 3371 B15R1.717 COc1cc(c(c(c1)NC(=O)C)C#N)F 1626a_100025705643_100015343762 [1,2,0,0,0,0|1,0,0]=4 3372 B15R1.717 COc1cc(c(c(c1)NC(=O)C)OC)Br 11a_100010294495_100015343762 [1,2,0,0,0,0|0,0,0]=3 3373 B15R1.717 COc1cc(c(c(c1)NC(=O)C)OC)Br 1626a_100010294495_100015343762 [1,2,0,0,0,0|0,0,0]=3 3374 B15R1.717 COc1cc(c(c(c1)NC(=O)C)OC)Br 22a_100010294495_100000070787 [1,2,0,0,0,0|0,0,0]=3 3375 B15R1.717 COc1cc(c(c(c1)NC(=O)C)OC)Br 527a_100010294495_100103153847 [1,2,0,0,0,0|0,0,0]=3 3376 B15R1.900 CC(=O)Nc1cc(ccc1Br)C(C)(C)C 11a_100010244637_100015343762 [1,2,0,0,0,0|1,0,0]=4 3377 B15R1.900 CC(=O)Nc1cc(ccc1Br)C(C)(C)C 1626a_100010244637_100015343762 [1,2,0,0,0,0|1,0,0]=4 3378 B15R1.900 CC(=O)Nc1cc(ccc1Br)C(C)(C)C 22a_100010244637_100000070787 [1,2,0,0,0,0|1,0,0]=4 3379 B15R1.900 CC(=O)Nc1cc(ccc1O)C(C)(C)C 22a_100000187365_100000070787 [1,2,0,0,0,0|0,0,0]=3 3380 B15R1.900 CC(=O)Nc1cc(ccc1O)C(C)(C)C 527a_100000187365_100103153847 [1,2,0,0,0,0|0,0,0]=3 3381 B15R1.900 CC(=O)Nc1cc(ccc1O)C(F)(F)F 22a_100000204637_100000070787 [1,2,0,0,0,0|1,0,0]=4 3382 B15R1.900 CC(=O)Nc1cc(ccc1O)C(F)(F)F 527a_100000204637_100103153847 [1,2,0,0,0,0|1,0,0]=4 3383 B15R1.900 CC(=O)Nc1cc(ccc1O)S(=O)(=O)C 22a_100000186253_100000070787 [1,2,0,0,0,0|0,1,0]=4 3384 B15R1.900 CC(=O)Nc1cc(ccc1O)S(=O)(=O)C 527a_100000186253_100103153847 [1,2,0,0,0,0|0,1,0]=4 3385 B15R1.3824 C=CC(=O)Nc1cc(ccc1O)C(C)C 22a_200000187366_100000185746 [1,2,0,0,0,0|0,0,1]=4 3386 B15R1.3824 CC(C)c1ccc(c(c1)NC(=O)CO)O 22a_200000187366_100000210174 [1,2,0,0,0,0|0,0,0]=3 3387 B15R1.3824 CC(C)c1ccc(c(c1)NC(=O)CO)O 527a_200000187366_100000210174 [1,2,0,0,0,0|0,0,0]=3 3388 B15R1.3824 CCC(=O)Nc1cc(ccc1C)C(C)C 11a_100011216979_100000210414 [1,2,0,0,0,0|1,0,0]=4 3389 B15R1.3824 CCC(=O)Nc1cc(ccc1C)C(C)C 1626a_100011216979_100000210414 [1,2,0,0,0,0|1,0,0]=4 3390 B15R1.3824 CCC(=O)Nc1cc(ccc1C)C(C)C 22a_100011216979_100000210414 [1,2,0,0,0,0|1,0,0]=4 3391 B15R1.3824 CCC(=O)Nc1cc(ccc1C)C(C)C 527a_100011216979_100000210414 [1,2,0,0,0,0|1,0,0]=4 3392 B15R1.3824 CCC(=O)Nc1cc(ccc1O)C(C)C 22a_200000187366_100000210414 [1,2,0,0,0,0|0,0,0]=3 3393 B15R1.3824 CCC(=O)Nc1cc(ccc1O)C(C)C 527a_200000187366_100000210414 [1,2,0,0,0,0|0,0,0]=3 3394 B15R1.3824 CNC(=O)Nc1cc(ccc1C)C(C)C 2430a_100011216979_100102657272 [1,2,0,0,0,0|1,0,0]=4 3395 B15R1.3824 CNC(=O)Nc1cc(ccc1O)C(C)C 2430a_200000187366_100102657272 [1,2,0,0,0,0|0,0,0]=3 3396 B15R1.3824 Cc1ccc(cc1NC(=O)CO)C(C)C 22a_100011216979_100000210174 [1,2,0,0,0,0|1,0,0]=4 3397 B15R1.3824 Cc1ccc(cc1NC(=O)CO)C(C)C 527a_100011216979_100000210174 [1,2,0,0,0,0|1,0,0]=4 3398 B15R1.4512 C=C(C)c1ccc(c(c1)NC(=O)C)OC 271570a_100000694244_200011407902 [1,2,0,0,0,0|0,0,1]=4 3399 B15R1.8383 CC(=O)Nc1cc(c(cc1C)O)C(C)C 22a_100000686282_100000070787 [1,2,0,0,0,0|1,0,0]=4 3400 B15R1.8383 CC(=O)Nc1cc(c(cc1C)O)C(C)C 527a_100000686282_100103153847 [1,2,0,0,0,0|1,0,0]=4 3401 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(=O)C 11a_100000179761_100015343762 [1,2,0,0,0,0|0,0,0]=3 3402 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(=O)C 1626a_100000179761_100015343762 [1,2,0,0,0,0|0,0,0]=3 3403 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(=O)C 22a_100000179761_100000070787 [1,2,0,0,0,0|0,0,0]=3 3404 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)Br)OC 11a_100000718616_100000210414 [1,2,0,0,0,0|1,0,0]=4 3405 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)Br)OC 1626a_100000718616_100000210414 [1,2,0,0,0,0|1,0,0]=4 3406 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)C)OC 11a_100010244135_100000210414 [1,2,0,0,0,0|1,0,0]=4 3407 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)C)OC 1626a_100010244135_100000210414 [1,2,0,0,0,0|1,0,0]=4 3408 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)Cl)OC 11a_100013022580_100000210414 [1,2,0,0,0,0|1,0,0]=4 3409 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)Cl)OC 1626a_100013022580_100000210414 [1,2,0,0,0,0|1,0,0]=4 3410 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)F)OC 11a_100010208193_100000210414 [1,2,0,0,0,0|1,0,0]=4 3411 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)F)OC 1626a_100010208193_100000210414 [1,2,0,0,0,0|1,0,0]=4 3412 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Br)OC 11a_100010232211_100000210414 [1,2,0,0,0,0|1,0,0]=4 3413 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Br)OC 1626a_100010232211_100000210414 [1,2,0,0,0,0|1,0,0]=4 3414 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Br)OC 22a_100010232211_100000210414 [1,2,0,0,0,0|1,0,0]=4 3415 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Br)OC 527a_100010232211_100000210414 [1,2,0,0,0,0|1,0,0]=4 3416 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Cl)OC 11a_100009858536_100000210414 [1,2,0,0,0,0|1,0,0]=4 3417 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Cl)OC 1626a_100009858536_100000210414 [1,2,0,0,0,0|1,0,0]=4 3418 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Cl)OC 22a_100009858536_100000210414 [1,2,0,0,0,0|1,0,0]=4 3419 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Cl)OC 527a_100009858536_100000210414 [1,2,0,0,0,0|1,0,0]=4 3420 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Br)OC 11a_100012361290_100000210414 [1,2,0,0,0,0|1,0,0]=4 3421 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Br)OC 1626a_100012361290_100000210414 [1,2,0,0,0,0|1,0,0]=4 3422 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Cl)OC 11a_100011830341_100000210414 [1,2,0,0,0,0|1,0,0]=4 3423 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Cl)OC 1626a_100011830341_100000210414 [1,2,0,0,0,0|1,0,0]=4 3424 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Cl)OC 22a_100011830341_100000210414 [1,2,0,0,0,0|1,0,0]=4 3425 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)F)OC 11a_100009958774_100000210414 [1,2,0,0,0,0|1,0,0]=4 3426 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)F)OC 1626a_100009958774_100000210414 [1,2,0,0,0,0|1,0,0]=4 3427 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)F)OC 22a_100009958774_100000210414 [1,2,0,0,0,0|1,0,0]=4 3428 B15R1.1794 CCC(=O)Nc1cc(c(cc1F)Cl)OC 11a_100009872666_100000210414 [1,2,0,0,0,0|1,0,0]=4 3429 B15R1.1794 CCC(=O)Nc1cc(c(cc1F)Cl)OC 1626a_100009872666_100000210414 [1,2,0,0,0,0|1,0,0]=4 3430 B15R1.1794 CCC(=O)Nc1cc(c(cc1F)Cl)OC 22a_100009872666_100000210414 [1,2,0,0,0,0|1,0,0]=4 3431 B15R1.1794 CNC(=O)Nc1cc(c(cc1Br)Br)OC 2430a_100000718616_100102657272 [1,2,0,0,0,0|1,0,0]=4 3432 B15R1.1794 CNC(=O)Nc1cc(c(cc1Br)C)OC 2430a_100010244135_100102657272 [1,2,0,0,0,0|1,0,0]=4 3433 B15R1.1794 CNC(=O)Nc1cc(c(cc1Br)Cl)OC 2430a_100013022580_100102657272 [1,2,0,0,0,0|1,0,0]=4 3434 B15R1.1794 CNC(=O)Nc1cc(c(cc1Br)F)OC 2430a_100010208193_100102657272 [1,2,0,0,0,0|1,0,0]=4 3435 B15R1.1794 CNC(=O)Nc1cc(c(cc1C)Br)OC 2430a_100010232211_100102657272 [1,2,0,0,0,0|1,0,0]=4 3436 B15R1.1794 CNC(=O)Nc1cc(c(cc1C)Cl)OC 2430a_100009858536_100102657272 [1,2,0,0,0,0|1,0,0]=4 3437 B15R1.1794 CNC(=O)Nc1cc(c(cc1Cl)Cl)OC 2430a_100011830341_100102657272 [1,2,0,0,0,0|1,0,0]=4 3438 B15R1.1794 CNC(=O)Nc1cc(c(cc1Cl)F)OC 2430a_100009958774_100102657272 [1,2,0,0,0,0|1,0,0]=4 3439 B15R1.1794 CNC(=O)Nc1cc(c(cc1F)Cl)OC 2430a_100009872666_100102657272 [1,2,0,0,0,0|1,0,0]=4 3440 B15R1.1794 COc1cc(c(cc1Br)C)NC(=O)CO 22a_100010232211_100000210174 [1,2,0,0,0,0|1,0,0]=4 3441 B15R1.1794 COc1cc(c(cc1Br)C)NC(=O)CO 527a_100010232211_100000210174 [1,2,0,0,0,0|1,0,0]=4 3442 B15R1.1794 COc1cc(c(cc1Cl)C)NC(=O)CO 22a_100009858536_100000210174 [1,2,0,0,0,0|1,0,0]=4 3443 B15R1.1794 COc1cc(c(cc1Cl)C)NC(=O)CO 527a_100009858536_100000210174 [1,2,0,0,0,0|1,0,0]=4 3444 B15R1.1794 COc1cc(c(cc1Cl)Cl)NC(=O)CO 22a_100011830341_100000210174 [1,2,0,0,0,0|1,0,0]=4 3445 B15R1.1794 COc1cc(c(cc1Cl)F)NC(=O)CO 22a_100009872666_100000210174 [1,2,0,0,0,0|1,0,0]=4 3446 B15R1.1794 COc1cc(c(cc1F)Cl)NC(=O)CO 22a_100009958774_100000210174 [1,2,0,0,0,0|1,0,0]=4 3447 B15R1.1799 COc1cc(c(cc1OC)CC(=O)C)O 271570a_203496583355_200009994825 [1,2,0,0,0,0|1,0,0]=4 3448 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 11a_100000183460_100015343762 [1,2,0,0,0,0|1,0,0]=4 3449 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 1626a_100000183460_100015343762 [1,2,0,0,0,0|1,0,0]=4 3450 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 22a_100000183460_100000070787 [1,2,0,0,0,0|1,0,0]=4 3451 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 527a_100000183460_100103153847 [1,2,0,0,0,0|1,0,0]=4 3452 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 11a_100000753170_100015343762 [1,2,0,0,0,0|1,0,0]=4 3453 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 1626a_100000753170_100015343762 [1,2,0,0,0,0|1,0,0]=4 3454 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 22a_100000753170_100000070787 [1,2,0,0,0,0|1,0,0]=4 3455 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 527a_100000753170_100103153847 [1,2,0,0,0,0|1,0,0]=4 3456 B15R1.1802 COc1cc(c(cc1Cl)Cl)N(C)C(=O)C 11a_200010239562_100015343762 [1,2,0,0,0,0|1,0,0]=4 3457 B15R1.1802 COc1cc(c(cc1Cl)Cl)N(C)C(=O)C 1626a_200010239562_100015343762 [1,2,0,0,0,0|1,0,0]=4 3458 B15R1.1868 CCC(=O)Nc1c(ccc(c1C)OC)C 11a_100000089760_100000210414 [1,2,0,0,0,0|1,0,0]=4 3459 B15R1.1868 CCC(=O)Nc1c(ccc(c1C)OC)C 1626a_100000089760_100000210414 [1,2,0,0,0,0|1,0,0]=4 3460 B15R1.1868 CCC(=O)Nc1c(ccc(c1C)OC)C 22a_100000089760_100000210414 [1,2,0,0,0,0|1,0,0]=4 3461 B15R1.1868 CCC(=O)Nc1c(ccc(c1Cl)OC)Cl 11a_100009956855_100000210414 [1,2,0,0,0,0|1,0,0]=4 3462 B15R1.1868 CCC(=O)Nc1c(ccc(c1Cl)OC)Cl 1626a_100009956855_100000210414 [1,2,0,0,0,0|1,0,0]=4 3463 B15R1.1868 CCC(=O)Nc1c(ccc(c1Cl)OC)F 11a_100000061512_100000210414 [1,2,0,0,0,0|1,0,0]=4 3464 B15R1.1868 CCC(=O)Nc1c(ccc(c1Cl)OC)F 1626a_100000061512_100000210414 [1,2,0,0,0,0|1,0,0]=4 3465 B15R1.1868 CCC(=O)Nc1c(ccc(c1F)OC)Cl 11a_100000061519_100000210414 [1,2,0,0,0,0|1,0,0]=4 3466 B15R1.1868 CCC(=O)Nc1c(ccc(c1F)OC)Cl 1626a_100000061519_100000210414 [1,2,0,0,0,0|1,0,0]=4 3467 B15R1.1868 CCC(=O)Nc1c(ccc(c1F)OC)F 11a_200000062051_100000210414 [1,2,0,0,0,0|1,0,0]=4 3468 B15R1.1868 CCC(=O)Nc1c(ccc(c1F)OC)F 1626a_200000062051_100000210414 [1,2,0,0,0,0|1,0,0]=4 3469 B15R1.1868 CNC(=O)Nc1c(ccc(c1C)OC)C 2430a_100000089760_100102657272 [1,2,0,0,0,0|1,0,0]=4 3470 B15R1.1868 CNC(=O)Nc1c(ccc(c1C)OC)C 512a_106832991638_100000089760 [1,2,0,0,0,0|1,0,0]=4 3471 B15R1.1868 CNC(=O)Nc1c(ccc(c1Cl)OC)F 2430a_100000061512_100102657272 [1,2,0,0,0,0|1,0,0]=4 3472 B15R1.1868 CNC(=O)Nc1c(ccc(c1F)OC)F 2430a_200000062051_100102657272 [1,2,0,0,0,0|1,0,0]=4 3473 B15R1.1868 COc1ccc(c(c1C)NC(=O)CO)C 22a_100000089760_100000210174 [1,2,0,0,0,0|1,0,0]=4 3474 B15R1.4599 CCc1ccc(c(c1)NS(=O)(=O)C)OC 40a_100012035449_100000738038 [1,2,0,0,0,0|1,0,0]=4 3475 B15R1.4599 COc1ccc(c(c1)NS(=O)(=O)C)CO 40a_100011998734_100000738038 [1,2,0,0,0,0|1,0,0]=4 3476 B15R1.4599 COc1ccc(c(c1)NS(=O)(=O)C)OC 40a_100000184736_100000738038 [1,2,0,0,0,0|1,0,0]=4 3477 B15R1.4599 COc1ccc(cc1NS(=O)(=O)C)CO 40a_100011269841_100000738038 [1,2,0,0,0,0|1,0,0]=4 3478 B15R1.1873 COc1ccc(c(c1)N(C)C(=O)C)OC 11a_100000221073_100015343762 [1,2,0,0,0,0|0,0,0]=3 3479 B15R1.1873 COc1ccc(c(c1)N(C)C(=O)C)OC 1626a_100000221073_100015343762 [1,2,0,0,0,0|0,0,0]=3 3480 B15R1.1873 COc1ccc(c(c1)N(C)C(=O)C)OC 22a_100000221073_100000070787 [1,2,0,0,0,0|0,0,0]=3 3481 B15R1.1873 COc1ccc(c(c1)N(C)C(=O)C)OC 527a_100000221073_100103153847 [1,2,0,0,0,0|0,0,0]=3 3482 B15R1.91 C=C(C)c1ccc(cc1NC(=O)C)OC 271570a_100000694244_100011665069 [1,2,0,0,0,0|1,0,0]=4 3483 B15R1.91 COc1ccc(c(c1)NC(=O)C)C(C)C 11a_100009963057_100015343762 [1,2,0,0,0,0|1,0,0]=4 3484 B15R1.91 COc1ccc(c(c1)NC(=O)C)C(C)C 1626a_100009963057_100015343762 [1,2,0,0,0,0|1,0,0]=4 3485 B15R1.91 COc1ccc(c(c1)NC(=O)C)C(C)C 22a_100009963057_100000070787 [1,2,0,0,0,0|1,0,0]=4 3486 B15R1.91 COc1ccc(c(c1)NC(=O)C)C(C)C 527a_100009963057_100103153847 [1,2,0,0,0,0|1,0,0]=4 3487 B15R1.1910 C=CC(=O)Nc1cc(ccc1CO)OC 22a_100011998734_100000185746 [1,2,0,0,0,0|0,0,1]=4 3488 B15R1.1910 C=CC(=O)Nc1cc(ccc1OC)CC 1626a_100012035449_100000185746 [1,2,0,0,0,0|0,0,1]=4 3489 B15R1.1910 C=CC(=O)Nc1cc(ccc1OC)CC 22a_100012035449_100000185746 [1,2,0,0,0,0|0,0,1]=4 3490 B15R1.1910 C=CC(=O)Nc1cc(ccc1OC)CO 22a_100011269841_100000185746 [1,2,0,0,0,0|0,0,1]=4 3491 B15R1.1910 C=CC(=O)Nc1cc(ccc1OC)OC 1626a_100000184736_100000185746 [1,2,0,0,0,0|0,0,1]=4 3492 B15R1.1910 C=CC(=O)Nc1cc(ccc1OC)OC 22a_100000184736_100000185746 [1,2,0,0,0,0|0,0,1]=4 3493 B15R1.1910 CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000210414_100000205131 [1,2,0,0,0,0|1,0,0]=4 3494 B15R1.1910 CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000212042_100000210202 [1,2,0,0,0,0|1,0,0]=4 3495 B15R1.1910 CCC(=O)Nc1cc(ccc1C#N)OC 11a_100000687564_100000210414 [1,2,0,0,0,0|1,0,0]=4 3496 B15R1.1910 CCC(=O)Nc1cc(ccc1C#N)OC 1626a_100000687564_100000210414 [1,2,0,0,0,0|1,0,0]=4 3497 B15R1.1910 CCC(=O)Nc1cc(ccc1CO)OC 22a_100011998734_100000210414 [1,2,0,0,0,0|0,0,0]=3 3498 B15R1.1910 CCC(=O)Nc1cc(ccc1CO)OC 527a_100011998734_100000210414 [1,2,0,0,0,0|0,0,0]=3 3499 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)CC 11a_100012035449_100000210414 [1,2,0,0,0,0|0,0,0]=3 3500 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)CC 1626a_100012035449_100000210414 [1,2,0,0,0,0|0,0,0]=3 3501 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)CC 22a_100012035449_100000210414 [1,2,0,0,0,0|0,0,0]=3 3502 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)CO 22a_100011269841_100000210414 [1,2,0,0,0,0|0,0,0]=3 3503 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)OC 11a_100000184736_100000210414 [1,2,0,0,0,0|0,0,0]=3 3504 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)OC 1626a_100000184736_100000210414 [1,2,0,0,0,0|0,0,0]=3 3505 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)OC 22a_100000184736_100000210414 [1,2,0,0,0,0|0,0,0]=3 3506 B15R1.1910 CCc1ccc(c(c1)NC(=O)CO)OC 22a_100012035449_100000210174 [1,2,0,0,0,0|0,0,0]=3 3507 B15R1.1910 CCc1ccc(c(c1)NC(=O)NC)OC 2430a_100012035449_100102657272 [1,2,0,0,0,0|0,0,0]=3 3508 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 11a_106832991635_100000212042 [1,2,0,0,0,0|1,0,0]=4 3509 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 1626a_100102657272_100000212042 [1,2,0,0,0,0|1,0,0]=4 3510 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 240690a_100102657272_100000212042 [1,2,0,0,0,0|1,0,0]=4 3511 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 527a_100102657272_100000212042 [1,2,0,0,0,0|1,0,0]=4 3512 B15R1.1910 CNC(=O)Nc1cc(ccc1C#N)OC 2430a_100000687564_100102657272 [1,2,0,0,0,0|1,0,0]=4 3513 B15R1.1910 CNC(=O)Nc1cc(ccc1OC)OC 2430a_100000184736_100102657272 [1,2,0,0,0,0|0,0,0]=3 3514 B15R1.1910 COc1ccc(c(c1)CC(=O)CF)OC 1458a_100000212042_100015361967 [1,2,0,0,0,0|1,0,0]=4 3515 B15R1.1910 COc1ccc(c(c1)CC(=O)CO)OC 1458a_100000210174_100000205131 [1,2,0,0,0,0|1,0,0]=4 3516 B15R1.1910 COc1ccc(c(c1)NC(=O)CO)CO 22a_100011998734_100000210174 [1,2,0,0,0,0|0,0,0]=3 3517 B15R1.1910 COc1ccc(c(c1)NC(=O)CO)CO 527a_100011998734_100000210174 [1,2,0,0,0,0|0,0,0]=3 3518 B15R1.1910 COc1ccc(c(c1)NC(=O)CO)OC 22a_100000184736_100000210174 [1,2,0,0,0,0|0,0,0]=3 3519 B15R1.1910 COc1ccc(cc1NC(=O)CO)CO 22a_100011269841_100000210174 [1,2,0,0,0,0|0,0,0]=3 3520 B15R1.5636 C=C=Cc1ccc(cc1NC(=O)C)OC 271570a_100015277604_100011665069 [1,2,0,0,0,0|1,0,0]=4 3521 B15R1.5636 CC=Cc1ccc(cc1NC(=O)C)OC 271570a_100016259895_100011665069 [1,2,0,0,0,0|1,0,0]=4 3522 B15R1.5636 CCOc1ccc(cc1CC(=O)C)OC 34a_200000075431_100000210202 [1,2,0,0,0,0|1,0,0]=4 3523 B15R1.5636 CCOc1ccc(cc1CC(=O)C)OC 7a_200000075431_100000210202 [1,2,0,0,0,0|1,0,0]=4 3524 B15R1.5636 CCSc1ccc(cc1NC(=O)C)OC 62a_100000210202_100011665069 [1,2,0,0,0,0|0,1,0]=4 3525 B15R1.5636 COc1ccc(c(c1)CC(=O)C)OCF 34a_200000075431_100015361967 [1,2,0,0,0,0|1,0,0]=4 3526 B15R1.5636 COc1ccc(c(c1)CC(=O)C)OCF 7a_200000075431_100015361967 [1,2,0,0,0,0|1,0,0]=4 3527 B15R1.5636 COc1ccc(c(c1)NC(=O)C)SCF 62a_100015361967_100011665069 [1,2,0,0,0,0|0,1,0]=4 3528 B15R1.1255 C#CCC(=O)Nc1cc(ccc1Br)OC 1626a_100000748603_100011220946 [1,2,0,0,0,0|1,0,0]=4 3529 B15R1.1255 C#CCC(=O)Nc1cc(ccc1C)CC 1626a_200012022522_100011220946 [1,2,0,0,0,0|1,0,0]=4 3530 B15R1.1255 C#CCC(=O)Nc1cc(ccc1C)CC 527a_200012022522_100011220946 [1,2,0,0,0,0|1,0,0]=4 3531 B15R1.1255 C#CCC(=O)Nc1cc(ccc1C)OC 1626a_100000760359_100011220946 [1,2,0,0,0,0|1,0,0]=4 3532 B15R1.1255 C#CCC(=O)Nc1cc(ccc1C)OC 527a_100000760359_100011220946 [1,2,0,0,0,0|1,0,0]=4 3533 B15R1.1255 C#CCC(=O)Nc1cc(ccc1Cl)OC 1626a_100000745576_100011220946 [1,2,0,0,0,0|1,0,0]=4 3534 B15R1.1255 C#CCC(=O)Nc1cc(ccc1F)OC 1626a_100000764331_100011220946 [1,2,0,0,0,0|1,0,0]=4 3535 B15R1.1255 C#CCC(=O)Nc1cc(ccc1F)OC 527a_100000764331_100011220946 [1,2,0,0,0,0|1,0,0]=4 3536 B15R1.1255 C#CCC(=O)Nc1cc(ccc1I)OC 1626a_100000748021_100011220946 [1,2,0,0,0,0|1,0,0]=4 3537 B15R1.1255 C#CCC(=O)Nc1cc(ccc1O)CC 527a_100000765835_100011220946 [1,2,0,0,0,0|0,0,0]=3 3538 B15R1.1255 C#CCC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100011220946 [1,2,0,0,0,0|0,0,0]=3 3539 B15R1.1255 C#CCC(=O)Nc1cc(ccc1O)OC 527a_100000188146_100011220946 [1,2,0,0,0,0|0,0,0]=3 3540 B15R1.1255 C=CCC(=O)Nc1cc(ccc1Br)OC 11a_100000748603_100000210193 [1,2,0,0,0,0|1,0,0]=4 3541 B15R1.1255 C=CCC(=O)Nc1cc(ccc1Br)OC 1626a_100000748603_100000210193 [1,2,0,0,0,0|1,0,0]=4 3542 B15R1.1255 C=CCC(=O)Nc1cc(ccc1Br)OC 22a_100000748603_100000210193 [1,2,0,0,0,0|1,0,0]=4 3543 B15R1.1255 C=CCC(=O)Nc1cc(ccc1C)CC 11a_200012022522_100000210193 [1,2,0,0,0,0|1,0,0]=4 3544 B15R1.1255 C=CCC(=O)Nc1cc(ccc1C)CC 1626a_200012022522_100000210193 [1,2,0,0,0,0|1,0,0]=4 3545 B15R1.1255 C=CCC(=O)Nc1cc(ccc1C)CC 22a_200012022522_100000210193 [1,2,0,0,0,0|1,0,0]=4 3546 B15R1.1255 C=CCC(=O)Nc1cc(ccc1C)CC 527a_200012022522_100000210193 [1,2,0,0,0,0|1,0,0]=4 3547 B15R1.1255 C=CCC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000210193 [1,2,0,0,0,0|1,0,0]=4 3548 B15R1.1255 C=CCC(=O)Nc1cc(ccc1C)OC 11a_100000760359_100000210193 [1,2,0,0,0,0|1,0,0]=4 3549 B15R1.1255 C=CCC(=O)Nc1cc(ccc1C)OC 1626a_100000760359_100000210193 [1,2,0,0,0,0|1,0,0]=4 3550 B15R1.1255 C=CCC(=O)Nc1cc(ccc1C)OC 22a_100000760359_100000210193 [1,2,0,0,0,0|1,0,0]=4 3551 B15R1.1255 C=CCC(=O)Nc1cc(ccc1C)OC 527a_100000760359_100000210193 [1,2,0,0,0,0|1,0,0]=4 3552 B15R1.1255 C=CCC(=O)Nc1cc(ccc1Cl)OC 11a_100000745576_100000210193 [1,2,0,0,0,0|1,0,0]=4 3553 B15R1.1255 C=CCC(=O)Nc1cc(ccc1Cl)OC 1626a_100000745576_100000210193 [1,2,0,0,0,0|1,0,0]=4 3554 B15R1.1255 C=CCC(=O)Nc1cc(ccc1Cl)OC 22a_100000745576_100000210193 [1,2,0,0,0,0|1,0,0]=4 3555 B15R1.1255 C=CCC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000210193 [1,2,0,0,0,0|1,0,0]=4 3556 B15R1.1255 C=CCC(=O)Nc1cc(ccc1F)OC 11a_100000764331_100000210193 [1,2,0,0,0,0|1,0,0]=4 3557 B15R1.1255 C=CCC(=O)Nc1cc(ccc1F)OC 1626a_100000764331_100000210193 [1,2,0,0,0,0|1,0,0]=4 3558 B15R1.1255 C=CCC(=O)Nc1cc(ccc1F)OC 22a_100000764331_100000210193 [1,2,0,0,0,0|1,0,0]=4 3559 B15R1.1255 C=CCC(=O)Nc1cc(ccc1F)OC 527a_100000764331_100000210193 [1,2,0,0,0,0|1,0,0]=4 3560 B15R1.1255 C=CCC(=O)Nc1cc(ccc1I)OC 11a_100000748021_100000210193 [1,2,0,0,0,0|1,0,0]=4 3561 B15R1.1255 C=CCC(=O)Nc1cc(ccc1I)OC 1626a_100000748021_100000210193 [1,2,0,0,0,0|1,0,0]=4 3562 B15R1.1255 C=CCC(=O)Nc1cc(ccc1I)OC 22a_100000748021_100000210193 [1,2,0,0,0,0|1,0,0]=4 3563 B15R1.1255 C=CCC(=O)Nc1cc(ccc1O)CC 22a_100000765835_100000210193 [1,2,0,0,0,0|0,0,0]=3 3564 B15R1.1255 C=CCC(=O)Nc1cc(ccc1O)CC 527a_100000765835_100000210193 [1,2,0,0,0,0|0,0,0]=3 3565 B15R1.1255 C=CCC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000210193 [1,2,0,0,0,0|0,0,0]=3 3566 B15R1.1255 C=CCC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100000210193 [1,2,0,0,0,0|0,0,0]=3 3567 B15R1.1255 C=CCC(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000210193 [1,2,0,0,0,0|0,0,0]=3 3568 B15R1.1255 C=CCC(=O)Nc1cc(ccc1O)OC 527a_100000188146_100000210193 [1,2,0,0,0,0|0,0,0]=3 3569 B15R1.1255 CC#CC(=O)Nc1cc(ccc1Br)OC 22a_100000748603_100000763181 [1,2,0,0,0,0|1,0,0]=4 3570 B15R1.1255 CC#CC(=O)Nc1cc(ccc1C)CC 22a_200012022522_100000763181 [1,2,0,0,0,0|1,0,0]=4 3571 B15R1.1255 CC#CC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000763181 [1,2,0,0,0,0|1,0,0]=4 3572 B15R1.1255 CC#CC(=O)Nc1cc(ccc1C)OC 22a_100000760359_100000763181 [1,2,0,0,0,0|1,0,0]=4 3573 B15R1.1255 CC#CC(=O)Nc1cc(ccc1Cl)OC 22a_100000745576_100000763181 [1,2,0,0,0,0|1,0,0]=4 3574 B15R1.1255 CC#CC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000763181 [1,2,0,0,0,0|1,0,0]=4 3575 B15R1.1255 CC#CC(=O)Nc1cc(ccc1F)OC 22a_100000764331_100000763181 [1,2,0,0,0,0|1,0,0]=4 3576 B15R1.1255 CC#CC(=O)Nc1cc(ccc1I)OC 22a_100000748021_100000763181 [1,2,0,0,0,0|1,0,0]=4 3577 B15R1.1255 CC#CC(=O)Nc1cc(ccc1O)CC 22a_100000765835_100000763181 [1,2,0,0,0,0|0,0,0]=3 3578 B15R1.1255 CC#CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000763181 [1,2,0,0,0,0|0,0,0]=3 3579 B15R1.1255 CC#CC(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000763181 [1,2,0,0,0,0|0,0,0]=3 3580 B15R1.1255 CC=CC(=O)Nc1cc(ccc1Br)OC 11a_100000748603_100000210699 [1,2,0,0,0,0|1,0,0]=4 3581 B15R1.1255 CC=CC(=O)Nc1cc(ccc1Br)OC 1626a_100000748603_100000210699 [1,2,0,0,0,0|1,0,0]=4 3582 B15R1.1255 CC=CC(=O)Nc1cc(ccc1Br)OC 22a_100000748603_100000210699 [1,2,0,0,0,0|1,0,0]=4 3583 B15R1.1255 CC=CC(=O)Nc1cc(ccc1C)CC 11a_200012022522_100000210699 [1,2,0,0,0,0|1,0,0]=4 3584 B15R1.1255 CC=CC(=O)Nc1cc(ccc1C)CC 1626a_200012022522_100000210699 [1,2,0,0,0,0|1,0,0]=4 3585 B15R1.1255 CC=CC(=O)Nc1cc(ccc1C)CC 22a_200012022522_100000210699 [1,2,0,0,0,0|1,0,0]=4 3586 B15R1.1255 CC=CC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000210699 [1,2,0,0,0,0|1,0,0]=4 3587 B15R1.1255 CC=CC(=O)Nc1cc(ccc1C)OC 11a_100000760359_100000210699 [1,2,0,0,0,0|1,0,0]=4 3588 B15R1.1255 CC=CC(=O)Nc1cc(ccc1C)OC 1626a_100000760359_100000210699 [1,2,0,0,0,0|1,0,0]=4 3589 B15R1.1255 CC=CC(=O)Nc1cc(ccc1C)OC 22a_100000760359_100000210699 [1,2,0,0,0,0|1,0,0]=4 3590 B15R1.1255 CC=CC(=O)Nc1cc(ccc1Cl)OC 11a_100000745576_100000210699 [1,2,0,0,0,0|1,0,0]=4 3591 B15R1.1255 CC=CC(=O)Nc1cc(ccc1Cl)OC 1626a_100000745576_100000210699 [1,2,0,0,0,0|1,0,0]=4 3592 B15R1.1255 CC=CC(=O)Nc1cc(ccc1Cl)OC 22a_100000745576_100000210699 [1,2,0,0,0,0|1,0,0]=4 3593 B15R1.1255 CC=CC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000210699 [1,2,0,0,0,0|1,0,0]=4 3594 B15R1.1255 CC=CC(=O)Nc1cc(ccc1F)OC 11a_100000764331_100000210699 [1,2,0,0,0,0|1,0,0]=4 3595 B15R1.1255 CC=CC(=O)Nc1cc(ccc1F)OC 1626a_100000764331_100000210699 [1,2,0,0,0,0|1,0,0]=4 3596 B15R1.1255 CC=CC(=O)Nc1cc(ccc1F)OC 22a_100000764331_100000210699 [1,2,0,0,0,0|1,0,0]=4 3597 B15R1.1255 CC=CC(=O)Nc1cc(ccc1I)OC 11a_100000748021_100000210699 [1,2,0,0,0,0|1,0,0]=4 3598 B15R1.1255 CC=CC(=O)Nc1cc(ccc1I)OC 1626a_100000748021_100000210699 [1,2,0,0,0,0|1,0,0]=4 3599 B15R1.1255 CC=CC(=O)Nc1cc(ccc1I)OC 22a_100000748021_100000210699 [1,2,0,0,0,0|1,0,0]=4 3600 B15R1.1255 CC=CC(=O)Nc1cc(ccc1O)CC 22a_100000765835_100000210699 [1,2,0,0,0,0|0,0,0]=3 3601 B15R1.1255 CC=CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000210699 [1,2,0,0,0,0|0,0,0]=3 3602 B15R1.1255 CC=CC(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000210699 [1,2,0,0,0,0|0,0,0]=3 3603 B15R1.1255 CCCC(=O)Nc1cc(ccc1Br)OC 11a_100000748603_100000211992 [1,2,0,0,0,0|1,0,0]=4 3604 B15R1.1255 CCCC(=O)Nc1cc(ccc1Br)OC 1626a_100000748603_100000211992 [1,2,0,0,0,0|1,0,0]=4 3605 B15R1.1255 CCCC(=O)Nc1cc(ccc1Br)OC 22a_100000748603_100000211992 [1,2,0,0,0,0|1,0,0]=4 3606 B15R1.1255 CCCC(=O)Nc1cc(ccc1C)CC 11a_200012022522_100000211992 [1,2,0,0,0,0|1,0,0]=4 3607 B15R1.1255 CCCC(=O)Nc1cc(ccc1C)CC 1626a_200012022522_100000211992 [1,2,0,0,0,0|1,0,0]=4 3608 B15R1.1255 CCCC(=O)Nc1cc(ccc1C)CC 22a_200012022522_100000211992 [1,2,0,0,0,0|1,0,0]=4 3609 B15R1.1255 CCCC(=O)Nc1cc(ccc1C)CC 527a_200012022522_100000211992 [1,2,0,0,0,0|1,0,0]=4 3610 B15R1.1255 CCCC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000211992 [1,2,0,0,0,0|1,0,0]=4 3611 B15R1.1255 CCCC(=O)Nc1cc(ccc1C)OC 11a_100000760359_100000211992 [1,2,0,0,0,0|1,0,0]=4 3612 B15R1.1255 CCCC(=O)Nc1cc(ccc1C)OC 1626a_100000760359_100000211992 [1,2,0,0,0,0|1,0,0]=4 3613 B15R1.1255 CCCC(=O)Nc1cc(ccc1C)OC 22a_100000760359_100000211992 [1,2,0,0,0,0|1,0,0]=4 3614 B15R1.1255 CCCC(=O)Nc1cc(ccc1C)OC 527a_100000760359_100000211992 [1,2,0,0,0,0|1,0,0]=4 3615 B15R1.1255 CCCC(=O)Nc1cc(ccc1Cl)OC 11a_100000745576_100000211992 [1,2,0,0,0,0|1,0,0]=4 3616 B15R1.1255 CCCC(=O)Nc1cc(ccc1Cl)OC 1626a_100000745576_100000211992 [1,2,0,0,0,0|1,0,0]=4 3617 B15R1.1255 CCCC(=O)Nc1cc(ccc1Cl)OC 22a_100000745576_100000211992 [1,2,0,0,0,0|1,0,0]=4 3618 B15R1.1255 CCCC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000211992 [1,2,0,0,0,0|1,0,0]=4 3619 B15R1.1255 CCCC(=O)Nc1cc(ccc1F)OC 11a_100000764331_100000211992 [1,2,0,0,0,0|1,0,0]=4 3620 B15R1.1255 CCCC(=O)Nc1cc(ccc1F)OC 1626a_100000764331_100000211992 [1,2,0,0,0,0|1,0,0]=4 3621 B15R1.1255 CCCC(=O)Nc1cc(ccc1F)OC 22a_100000764331_100000211992 [1,2,0,0,0,0|1,0,0]=4 3622 B15R1.1255 CCCC(=O)Nc1cc(ccc1F)OC 527a_100000764331_100000211992 [1,2,0,0,0,0|1,0,0]=4 3623 B15R1.1255 CCCC(=O)Nc1cc(ccc1I)OC 11a_100000748021_100000211992 [1,2,0,0,0,0|1,0,0]=4 3624 B15R1.1255 CCCC(=O)Nc1cc(ccc1I)OC 1626a_100000748021_100000211992 [1,2,0,0,0,0|1,0,0]=4 3625 B15R1.1255 CCCC(=O)Nc1cc(ccc1I)OC 22a_100000748021_100000211992 [1,2,0,0,0,0|1,0,0]=4 3626 B15R1.1255 CCCC(=O)Nc1cc(ccc1O)CC 22a_100000765835_100000211992 [1,2,0,0,0,0|0,0,0]=3 3627 B15R1.1255 CCCC(=O)Nc1cc(ccc1O)CC 527a_100000765835_100000211992 [1,2,0,0,0,0|0,0,0]=3 3628 B15R1.1255 CCCC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000211992 [1,2,0,0,0,0|0,0,0]=3 3629 B15R1.1255 CCCC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100000211992 [1,2,0,0,0,0|0,0,0]=3 3630 B15R1.1255 CCCC(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000211992 [1,2,0,0,0,0|0,0,0]=3 3631 B15R1.1255 CCCC(=O)Nc1cc(ccc1O)OC 527a_100000188146_100000211992 [1,2,0,0,0,0|0,0,0]=3 3632 B15R1.1255 CCNC(=O)Nc1cc(ccc1Br)OC 2430a_100000748603_100015525214 [1,2,0,0,0,0|1,0,0]=4 3633 B15R1.1255 CCNC(=O)Nc1cc(ccc1C)CC 2430a_200012022522_100015525214 [1,2,0,0,0,0|1,0,0]=4 3634 B15R1.1255 CCNC(=O)Nc1cc(ccc1C)OC 2430a_100000760359_100015525214 [1,2,0,0,0,0|1,0,0]=4 3635 B15R1.1255 CCNC(=O)Nc1cc(ccc1C)OC 512a_100015525214_100000760359 [1,2,0,0,0,0|1,0,0]=4 3636 B15R1.1255 CCNC(=O)Nc1cc(ccc1Cl)OC 2430a_100000745576_100015525214 [1,2,0,0,0,0|1,0,0]=4 3637 B15R1.1255 CCNC(=O)Nc1cc(ccc1F)OC 2430a_100000764331_100015525214 [1,2,0,0,0,0|1,0,0]=4 3638 B15R1.1255 CCNC(=O)Nc1cc(ccc1I)OC 2430a_100000748021_100015525214 [1,2,0,0,0,0|1,0,0]=4 3639 B15R1.1255 CCNC(=O)Nc1cc(ccc1O)CC 2430a_100000765835_100015525214 [1,2,0,0,0,0|0,0,0]=3 3640 B15R1.1255 CCNC(=O)Nc1cc(ccc1O)OC 2430a_100000188146_100015525214 [1,2,0,0,0,0|0,0,0]=3 3641 B15R1.1255 CCc1ccc(c(c1)NC(=O)CC#N)C 1626a_200012022522_100051588842 [1,2,0,0,0,0|1,0,0]=4 3642 B15R1.1255 CCc1ccc(c(c1)NC(=O)CC#N)C 22a_200012022522_100051588842 [1,2,0,0,0,0|1,0,0]=4 3643 B15R1.1255 CCc1ccc(c(c1)NC(=O)CC#N)O 22a_100000765835_100051588842 [1,2,0,0,0,0|0,0,0]=3 3644 B15R1.1255 CCc1ccc(c(c1)NC(=O)CCO)C 22a_200012022522_100011216618 [1,2,0,0,0,0|1,0,0]=4 3645 B15R1.1255 CCc1ccc(c(c1)NC(=O)CCO)O 22a_100000765835_100011216618 [1,2,0,0,0,0|0,0,0]=3 3646 B15R1.1255 CCc1ccc(c(c1)NC(=O)COC)C 11a_200012022522_100000210968 [1,2,0,0,0,0|1,0,0]=4 3647 B15R1.1255 CCc1ccc(c(c1)NC(=O)COC)C 1626a_200012022522_100000210968 [1,2,0,0,0,0|1,0,0]=4 3648 B15R1.1255 CCc1ccc(c(c1)NC(=O)COC)C 22a_200012022522_100000210968 [1,2,0,0,0,0|1,0,0]=4 3649 B15R1.1255 CCc1ccc(c(c1)NC(=O)COC)C 527a_200012022522_100000210968 [1,2,0,0,0,0|1,0,0]=4 3650 B15R1.1255 CCc1ccc(c(c1)NC(=O)COC)O 22a_100000765835_100000210968 [1,2,0,0,0,0|0,0,0]=3 3651 B15R1.1255 CCc1ccc(c(c1)NC(=O)COC)O 527a_100000765835_100000210968 [1,2,0,0,0,0|0,0,0]=3 3652 B15R1.1255 CCc1ccc(c(c1)NC(=O)CSC)C 11a_200012022522_100000184570 [1,2,0,0,0,0|1,0,0]=4 3653 B15R1.1255 CCc1ccc(c(c1)NC(=O)CSC)C 1626a_200012022522_100000184570 [1,2,0,0,0,0|1,0,0]=4 3654 B15R1.1255 CCc1ccc(c(c1)NC(=O)CSC)C 22a_200012022522_100000184570 [1,2,0,0,0,0|1,0,0]=4 3655 B15R1.1255 CCc1ccc(c(c1)NC(=O)CSC)C 527a_200012022522_100000184570 [1,2,0,0,0,0|1,0,0]=4 3656 B15R1.1255 CCc1ccc(c(c1)NC(=O)CSC)O 22a_100000765835_100000184570 [1,2,0,0,0,0|0,0,0]=3 3657 B15R1.1255 CCc1ccc(c(c1)NC(=O)CSC)O 527a_100000765835_100000184570 [1,2,0,0,0,0|0,0,0]=3 3658 B15R1.1255 CNNC(=O)Nc1cc(ccc1C)OC 512a_100016993582_100000760359 [1,2,0,0,0,0|1,0,0]=4 3659 B15R1.1255 COCC(=O)Nc1cc(ccc1Br)OC 11a_100000748603_100000210968 [1,2,0,0,0,0|1,0,0]=4 3660 B15R1.1255 COCC(=O)Nc1cc(ccc1Br)OC 1626a_100000748603_100000210968 [1,2,0,0,0,0|1,0,0]=4 3661 B15R1.1255 COCC(=O)Nc1cc(ccc1Br)OC 22a_100000748603_100000210968 [1,2,0,0,0,0|1,0,0]=4 3662 B15R1.1255 COCC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000210968 [1,2,0,0,0,0|1,0,0]=4 3663 B15R1.1255 COCC(=O)Nc1cc(ccc1C)OC 11a_100000760359_100000210968 [1,2,0,0,0,0|1,0,0]=4 3664 B15R1.1255 COCC(=O)Nc1cc(ccc1C)OC 1626a_100000760359_100000210968 [1,2,0,0,0,0|1,0,0]=4 3665 B15R1.1255 COCC(=O)Nc1cc(ccc1C)OC 22a_100000760359_100000210968 [1,2,0,0,0,0|1,0,0]=4 3666 B15R1.1255 COCC(=O)Nc1cc(ccc1C)OC 527a_100000760359_100000210968 [1,2,0,0,0,0|1,0,0]=4 3667 B15R1.1255 COCC(=O)Nc1cc(ccc1Cl)OC 11a_100000745576_100000210968 [1,2,0,0,0,0|1,0,0]=4 3668 B15R1.1255 COCC(=O)Nc1cc(ccc1Cl)OC 1626a_100000745576_100000210968 [1,2,0,0,0,0|1,0,0]=4 3669 B15R1.1255 COCC(=O)Nc1cc(ccc1Cl)OC 22a_100000745576_100000210968 [1,2,0,0,0,0|1,0,0]=4 3670 B15R1.1255 COCC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000210968 [1,2,0,0,0,0|1,0,0]=4 3671 B15R1.1255 COCC(=O)Nc1cc(ccc1F)OC 11a_100000764331_100000210968 [1,2,0,0,0,0|1,0,0]=4 3672 B15R1.1255 COCC(=O)Nc1cc(ccc1F)OC 1626a_100000764331_100000210968 [1,2,0,0,0,0|1,0,0]=4 3673 B15R1.1255 COCC(=O)Nc1cc(ccc1F)OC 22a_100000764331_100000210968 [1,2,0,0,0,0|1,0,0]=4 3674 B15R1.1255 COCC(=O)Nc1cc(ccc1F)OC 527a_100000764331_100000210968 [1,2,0,0,0,0|1,0,0]=4 3675 B15R1.1255 COCC(=O)Nc1cc(ccc1I)OC 11a_100000748021_100000210968 [1,2,0,0,0,0|1,0,0]=4 3676 B15R1.1255 COCC(=O)Nc1cc(ccc1I)OC 1626a_100000748021_100000210968 [1,2,0,0,0,0|1,0,0]=4 3677 B15R1.1255 COCC(=O)Nc1cc(ccc1I)OC 22a_100000748021_100000210968 [1,2,0,0,0,0|1,0,0]=4 3678 B15R1.1255 COCC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000210968 [1,2,0,0,0,0|0,0,0]=3 3679 B15R1.1255 COCC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100000210968 [1,2,0,0,0,0|0,0,0]=3 3680 B15R1.1255 COCC(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000210968 [1,2,0,0,0,0|0,0,0]=3 3681 B15R1.1255 COCC(=O)Nc1cc(ccc1O)OC 527a_100000188146_100000210968 [1,2,0,0,0,0|0,0,0]=3 3682 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)Br 1626a_100000748603_100051588842 [1,2,0,0,0,0|1,0,0]=4 3683 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)Br 22a_100000748603_100051588842 [1,2,0,0,0,0|1,0,0]=4 3684 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)C 1626a_100000760359_100051588842 [1,2,0,0,0,0|1,0,0]=4 3685 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)C 22a_100000760359_100051588842 [1,2,0,0,0,0|1,0,0]=4 3686 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)Cl 1626a_100000745576_100051588842 [1,2,0,0,0,0|1,0,0]=4 3687 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)Cl 22a_100000745576_100051588842 [1,2,0,0,0,0|1,0,0]=4 3688 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)F 1626a_100000764331_100051588842 [1,2,0,0,0,0|1,0,0]=4 3689 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)F 22a_100000764331_100051588842 [1,2,0,0,0,0|1,0,0]=4 3690 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)I 1626a_100000748021_100051588842 [1,2,0,0,0,0|1,0,0]=4 3691 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)I 22a_100000748021_100051588842 [1,2,0,0,0,0|1,0,0]=4 3692 B15R1.1255 COc1ccc(c(c1)NC(=O)CC#N)O 22a_100000188146_100051588842 [1,2,0,0,0,0|0,0,0]=3 3693 B15R1.1255 COc1ccc(c(c1)NC(=O)CCO)Br 22a_100000748603_100011216618 [1,2,0,0,0,0|1,0,0]=4 3694 B15R1.1255 COc1ccc(c(c1)NC(=O)CCO)C 22a_100000760359_100011216618 [1,2,0,0,0,0|1,0,0]=4 3695 B15R1.1255 COc1ccc(c(c1)NC(=O)CCO)Cl 22a_100000745576_100011216618 [1,2,0,0,0,0|1,0,0]=4 3696 B15R1.1255 COc1ccc(c(c1)NC(=O)CCO)F 22a_100000764331_100011216618 [1,2,0,0,0,0|1,0,0]=4 3697 B15R1.1255 COc1ccc(c(c1)NC(=O)CCO)I 22a_100000748021_100011216618 [1,2,0,0,0,0|1,0,0]=4 3698 B15R1.1255 COc1ccc(c(c1)NC(=O)CCO)O 22a_100000188146_100011216618 [1,2,0,0,0,0|0,0,0]=3 3699 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)Br 11a_100000748603_100000184570 [1,2,0,0,0,0|1,0,0]=4 3700 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)Br 1626a_100000748603_100000184570 [1,2,0,0,0,0|1,0,0]=4 3701 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)Br 22a_100000748603_100000184570 [1,2,0,0,0,0|1,0,0]=4 3702 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)C 11a_100000760359_100000184570 [1,2,0,0,0,0|1,0,0]=4 3703 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)C 1626a_100000760359_100000184570 [1,2,0,0,0,0|1,0,0]=4 3704 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)C 22a_100000760359_100000184570 [1,2,0,0,0,0|1,0,0]=4 3705 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)C 527a_100000760359_100000184570 [1,2,0,0,0,0|1,0,0]=4 3706 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)Cl 11a_100000745576_100000184570 [1,2,0,0,0,0|1,0,0]=4 3707 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)Cl 1626a_100000745576_100000184570 [1,2,0,0,0,0|1,0,0]=4 3708 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)Cl 22a_100000745576_100000184570 [1,2,0,0,0,0|1,0,0]=4 3709 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)F 11a_100000764331_100000184570 [1,2,0,0,0,0|1,0,0]=4 3710 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)F 1626a_100000764331_100000184570 [1,2,0,0,0,0|1,0,0]=4 3711 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)F 22a_100000764331_100000184570 [1,2,0,0,0,0|1,0,0]=4 3712 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)F 527a_100000764331_100000184570 [1,2,0,0,0,0|1,0,0]=4 3713 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)I 11a_100000748021_100000184570 [1,2,0,0,0,0|1,0,0]=4 3714 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)I 1626a_100000748021_100000184570 [1,2,0,0,0,0|1,0,0]=4 3715 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)I 22a_100000748021_100000184570 [1,2,0,0,0,0|1,0,0]=4 3716 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)O 22a_100000188146_100000184570 [1,2,0,0,0,0|0,0,0]=3 3717 B15R1.1255 COc1ccc(c(c1)NC(=O)CSC)O 527a_100000188146_100000184570 [1,2,0,0,0,0|0,0,0]=3 3718 B15R1.1255 CSCC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000184570 [1,2,0,0,0,0|1,0,0]=4 3719 B15R1.1255 CSCC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000184570 [1,2,0,0,0,0|1,0,0]=4 3720 B15R1.1255 CSCC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000184570 [1,2,0,0,0,0|0,0,0]=3 3721 B15R1.1255 CSCC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100000184570 [1,2,0,0,0,0|0,0,0]=3 3722 B15R1.1255 Cc1ccc(cc1NC(=O)CC#N)CO 22a_100000758420_100051588842 [1,2,0,0,0,0|1,0,0]=4 3723 B15R1.1255 Cc1ccc(cc1NC(=O)CCO)CO 22a_100000758420_100011216618 [1,2,0,0,0,0|1,0,0]=4 3724 B15R1.1255 N#CCC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100051588842 [1,2,0,0,0,0|1,0,0]=4 3725 B15R1.1255 N#CCC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100051588842 [1,2,0,0,0,0|0,0,0]=3 3726 B15R1.1255 O=C(CCO)Nc1cc(ccc1F)CO 22a_102125399562_100011216618 [1,2,0,0,0,0|1,0,0]=4 3727 B15R1.1255 O=C(CCO)Nc1cc(ccc1O)CO 22a_100000123545_100011216618 [1,2,0,0,0,0|0,0,0]=3 3728 B15R1.926 COC(=O)c1cc(ccc1Br)NC(=O)C 188690a_100000696289_100015343762 [1,2,0,0,0,0|0,0,1]=4 3729 B15R1.926 COC(=O)c1cc(ccc1C)NC(=O)C 188690a_100000766237_100015343762 [1,2,0,0,0,0|0,0,1]=4 3730 B15R1.926 COC(=O)c1cc(ccc1Cl)NC(=O)C 188690a_100015183649_100015343762 [1,2,0,0,0,0|0,0,1]=4 3731 B15R1.926 COC(=O)c1cc(ccc1F)NC(=O)C 188690a_100000735807_100015343762 [1,2,0,0,0,0|0,0,1]=4 3732 B15R1.926 COC(=O)c1cc(ccc1I)NC(=O)C 188690a_100011794239_100015343762 [1,2,0,0,0,0|0,0,1]=4 3733 B15R1.926 COC(=O)c1cc(ccc1O)NC(=O)C 188690a_100011246163_100015343762 [1,2,0,0,0,0|0,0,1]=4 3734 B15R1.1006 CCCCc1cc(ccc1C)NC(=O)C 271570a_100020621405_100011221169 [1,2,0,0,0,0|1,0,0]=4 3735 B15R1.1006 CCCCc1cc(ccc1F)NC(=O)C 271570a_100020621405_100012348134 [1,2,0,0,0,0|1,0,0]=4 3736 B15R1.1006 CCCNc1cc(ccc1C)NC(=O)C 34a_100000739390_100000210303 [1,2,0,0,0,0|1,0,0]=4 3737 B15R1.1006 CCCNc1cc(ccc1C)NC(=O)C 7a_100000739390_100000210303 [1,2,0,0,0,0|1,0,0]=4 3738 B15R1.1006 CCCNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_100000210303 [1,2,0,0,0,0|1,0,0]=4 3739 B15R1.1006 CCCNc1cc(ccc1F)NC(=O)C 34a_106454645589_100000210303 [1,2,0,0,0,0|1,0,0]=4 3740 B15R1.1006 CCCOc1cc(ccc1Cl)NC(=O)C 34a_100011935283_100000210303 [1,2,0,0,0,0|1,0,0]=4 3741 B15R1.1006 CCCOc1cc(ccc1Cl)NC(=O)C 7a_100011935283_100000210303 [1,2,0,0,0,0|1,0,0]=4 3742 B15R1.1006 CCCSc1cc(ccc1C)NC(=O)C 62a_100000210303_100011221169 [1,2,0,0,0,0|1,0,0]=4 3743 B15R1.1006 CCCSc1cc(ccc1F)NC(=O)C 62a_100000210303_100012348134 [1,2,0,0,0,0|1,0,0]=4 3744 B15R1.1006 COCSc1cc(ccc1C)NC(=O)C 62a_100000766300_100011221169 [1,2,0,0,0,0|0,0,0]=3 3745 B15R1.1006 COCSc1cc(ccc1C)OC(=O)C 62a_100000766300_200025702335 [1,2,0,0,0,0|1,0,0]=4 3746 B15R1.1006 COCSc1cc(ccc1F)NC(=O)C 62a_100000766300_100012348134 [1,2,0,0,0,0|0,0,0]=3 3747 B15R1.1006 COCSc1cc(ccc1O)CC(=O)C 62a_100000766300_100010141077 [1,2,0,0,0,0|1,0,0]=4 3748 B15R1.1006 COCSc1cc(ccc1O)CC(=O)C 62a_100010141077_100000766300 [1,2,0,0,0,0|1,0,0]=4 3749 B15R1.1006 CSCNc1cc(ccc1C)NC(=O)C 34a_100000739390_100011218213 [1,2,0,0,0,0|0,1,0]=4 3750 B15R1.1006 CSCNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_100011218213 [1,2,0,0,0,0|0,1,0]=4 3751 B15R1.1006 CSCNc1cc(ccc1F)NC(=O)C 34a_106454645589_100011218213 [1,2,0,0,0,0|0,1,0]=4 3752 B15R1.1006 CSCOc1cc(ccc1Cl)NC(=O)C 34a_100011935283_100011218213 [1,2,0,0,0,0|0,1,0]=4 3753 B15R1.1006 CSCSc1cc(ccc1C)NC(=O)C 62a_100011218213_100011221169 [1,2,0,0,0,0|0,1,0]=4 3754 B15R1.1006 CSCSc1cc(ccc1F)NC(=O)C 62a_100011218213_100012348134 [1,2,0,0,0,0|0,1,0]=4 3755 B15R1.934 COC(=O)c1cc(cc(c1)NC(=O)C)Br 188690a_100138415615_100015343762 [1,2,0,0,0,0|0,0,1]=4 3756 B15R1.934 COC(=O)c1cc(cc(c1)NC(=O)C)C 188690a_100025797325_100015343762 [1,2,0,0,0,0|0,0,1]=4 3757 B15R1.934 COC(=O)c1cc(cc(c1)NC(=O)C)Cl 188690a_100000756140_100015343762 [1,2,0,0,0,0|0,0,1]=4 3758 B15R1.934 COC(=O)c1cc(cc(c1)NC(=O)C)F 188690a_100011794249_100015343762 [1,2,0,0,0,0|0,0,1]=4 3759 B15R1.934 COC(=O)c1cc(cc(c1)NC(=O)C)I 188690a_200000693439_100015343762 [1,2,0,0,0,0|0,0,1]=4 3760 B15R1.934 COC(=O)c1cc(cc(c1)NC(=O)C)O 188690a_100000069914_100015343762 [1,2,0,0,0,0|0,0,1]=4 3761 B15R1.1011 COCSc1cc(cc(c1)OC(=O)C)F 62a_100000766300_200015324874 [1,2,0,0,0,0|1,0,0]=4 3762 B15R1.1011 COCSc1cc(cc(c1)OC(=O)C)F 62a_200015324874_100000766300 [1,2,0,0,0,0|1,0,0]=4 3763 B15R1.1037 CCOCc1cccc(c1)NS(=O)(=O)C 34a_100000198350_100000210202 [1,2,0,0,0,0|1,0,0]=4 3764 B15R1.1037 CCOCc1cccc(c1)NS(=O)(=O)C 7a_100000198350_100000210202 [1,2,0,0,0,0|1,0,0]=4 3765 B15R1.1037 COCOc1cccc(c1)NS(=O)(=O)C 40a_100012265470_100000738038 [1,2,0,0,0,0|1,0,0]=4 3766 B15R1.1037 COCSc1cccc(c1)NS(=O)(=O)C 62a_100000165606_100000766300 [1,2,0,0,0,0|1,0,0]=4 3767 B15R1.1037 COCSc1cccc(c1)NS(=O)(=O)C 62a_100000766300_100000165606 [1,2,0,0,0,0|1,0,0]=4 3768 B15R1.1037 CS(=O)(=O)Nc1cccc(c1)COCF 34a_100000198350_100015361967 [1,2,0,0,0,0|1,0,0]=4 3769 B15R1.1037 CS(=O)(=O)Nc1cccc(c1)COCF 7a_100000198350_100015361967 [1,2,0,0,0,0|1,0,0]=4 3770 B15R1.1082 CC(=O)Nc1cccc(c1)CS(=O)(=O)C 11a_100000747548_100015343762 [1,2,0,0,0,0|0,1,0]=4 3771 B15R1.1082 CC(=O)Nc1cccc(c1)CS(=O)(=O)C 1626a_100000747548_100015343762 [1,2,0,0,0,0|0,1,0]=4 3772 B15R1.1082 CC(=O)Nc1cccc(c1)CS(=O)(=O)C 22a_100000747548_100000070787 [1,2,0,0,0,0|0,1,0]=4 3773 B15R1.1082 CC(=O)Nc1cccc(c1)CS(=O)(=O)C 527a_100000747548_100103153847 [1,2,0,0,0,0|0,1,0]=4 3774 B15R1.9458 CCS(=O)(=O)Nc1cccc(c1)COC 232682a_100000737370_100000211323 [1,2,0,0,0,0|1,0,0]=4 3775 B15R1.9458 CCS(=O)(=O)Nc1cccc(c1)COC 40a_100000737370_100000053943 [1,2,0,0,0,0|1,0,0]=4 3776 B15R1.1038 C=CC(=O)Nc1cccc(c1)OCOC 1626a_100012265470_100000185746 [1,2,0,0,0,0|0,0,1]=4 3777 B15R1.1038 C=CC(=O)Nc1cccc(c1)OCOC 22a_100012265470_100000185746 [1,2,0,0,0,0|0,0,1]=4 3778 B15R1.1038 CCC(=O)Nc1cccc(c1)CCCO 22a_200000698965_100000210414 [1,2,0,0,0,0|1,0,0]=4 3779 B15R1.1038 CCC(=O)Nc1cccc(c1)CCCO 527a_200000698965_100000210414 [1,2,0,0,0,0|1,0,0]=4 3780 B15R1.1038 CCC(=O)Nc1cccc(c1)CNCF 34a_100000740940_100015361967 [1,2,0,0,0,0|1,0,0]=4 3781 B15R1.1038 CCC(=O)Nc1cccc(c1)NCSC 34a_100000186510_100011218213 [1,2,0,0,0,0|0,1,0]=4 3782 B15R1.1038 CCC(=O)Nc1cccc(c1)OCOC 11a_100012265470_100000210414 [1,2,0,0,0,0|0,0,0]=3 3783 B15R1.1038 CCC(=O)Nc1cccc(c1)OCOC 1626a_100012265470_100000210414 [1,2,0,0,0,0|0,0,0]=3 3784 B15R1.1038 CCC(=O)Nc1cccc(c1)OCOC 22a_100012265470_100000210414 [1,2,0,0,0,0|0,0,0]=3 3785 B15R1.1038 CCC(=O)Nc1cccc(c1)OCOC 527a_100012265470_100000210414 [1,2,0,0,0,0|0,0,0]=3 3786 B15R1.1038 CCC(=O)Nc1cccc(c1)OCSC 34a_100000158609_100011218213 [1,2,0,0,0,0|0,1,0]=4 3787 B15R1.1038 CCCCc1cccc(c1)NC(=O)CC 11a_200012017287_100000210414 [1,2,0,0,0,0|1,0,0]=4 3788 B15R1.1038 CCCCc1cccc(c1)NC(=O)CC 1626a_200012017287_100000210414 [1,2,0,0,0,0|1,0,0]=4 3789 B15R1.1038 CCCCc1cccc(c1)NC(=O)CC 22a_200012017287_100000210414 [1,2,0,0,0,0|1,0,0]=4 3790 B15R1.1038 CCCCc1cccc(c1)NC(=O)CC 527a_200012017287_100000210414 [1,2,0,0,0,0|1,0,0]=4 3791 B15R1.1038 CCCCc1cccc(c1)NC(=O)CO 22a_200012017287_100000210174 [1,2,0,0,0,0|1,0,0]=4 3792 B15R1.1038 CCCCc1cccc(c1)NC(=O)CO 527a_200012017287_100000210174 [1,2,0,0,0,0|1,0,0]=4 3793 B15R1.1038 CCCCc1cccc(c1)NC(=O)NC 2430a_200012017287_100102657272 [1,2,0,0,0,0|1,0,0]=4 3794 B15R1.1038 CCCCc1cccc(c1)NC(=O)NC 512a_200012017287_100102657272 [1,2,0,0,0,0|1,0,0]=4 3795 B15R1.1038 CCCNc1cccc(c1)NC(=O)CC 34a_100000186510_100000210303 [1,2,0,0,0,0|1,0,0]=4 3796 B15R1.1038 CCCOc1cccc(c1)NC(=O)CC 34a_100000158609_100000210303 [1,2,0,0,0,0|1,0,0]=4 3797 B15R1.1038 CCCOc1cccc(c1)NC(=O)CC 7a_100000158609_100000210303 [1,2,0,0,0,0|1,0,0]=4 3798 B15R1.1038 CCCOc1cccc(c1)NC(=O)CCl 34a_100011236192_100000210303 [1,2,0,0,0,0|1,0,0]=4 3799 B15R1.1038 CCCOc1cccc(c1)NC(=O)CCl 7a_100011236192_100000210303 [1,2,0,0,0,0|1,0,0]=4 3800 B15R1.1038 CCCOc1cccc(c1)NC(=O)OC 34a_100000741004_100000210303 [1,2,0,0,0,0|1,0,0]=4 3801 B15R1.1038 CCCOc1cccc(c1)NC(=O)OC 7a_100000741004_100000210303 [1,2,0,0,0,0|1,0,0]=4 3802 B15R1.1038 CCNCc1cccc(c1)NC(=O)CC 2230a_100000740940_100000210202 [1,2,0,0,0,0|1,0,0]=4 3803 B15R1.1038 CCNCc1cccc(c1)NC(=O)CC 34a_100000740940_100000210202 [1,2,0,0,0,0|1,0,0]=4 3804 B15R1.1038 CNC(=O)Cc1cccc(c1)NCOC 2230a_100011690097_100000766300 [1,2,0,0,0,0|1,0,0]=4 3805 B15R1.1038 CNC(=O)Nc1cccc(c1)CCCO 512a_200000698965_100102657272 [1,2,0,0,0,0|1,0,0]=4 3806 B15R1.1038 CNC(=O)Nc1cccc(c1)OCOC 2430a_100012265470_100102657272 [1,2,0,0,0,0|0,0,0]=3 3807 B15R1.1038 CNC(=O)Nc1cccc(c1)OCOC 512a_100012265470_100102657272 [1,2,0,0,0,0|0,0,0]=3 3808 B15R1.1038 COC(=O)Nc1cccc(c1)OCSC 34a_100000741004_100011218213 [1,2,0,0,0,0|0,1,0]=4 3809 B15R1.1038 COCOc1cccc(c1)NC(=O)CO 22a_100012265470_100000210174 [1,2,0,0,0,0|0,0,0]=3 3810 B15R1.1038 COCOc1cccc(c1)NC(=O)CO 527a_100012265470_100000210174 [1,2,0,0,0,0|0,0,0]=3 3811 B15R1.1038 COCSc1cccc(c1)CC(=O)OC 62a_100000699549_100000766300 [1,2,0,0,0,0|1,0,0]=4 3812 B15R1.1038 COCSc1cccc(c1)CC(=O)OC 62a_100000766300_100000699549 [1,2,0,0,0,0|1,0,0]=4 3813 B15R1.1038 CSCOc1cccc(c1)NC(=O)CCl 34a_100011236192_100011218213 [1,2,0,0,0,0|0,1,0]=4 3814 B15R1.1038 O=C(CO)Nc1cccc(c1)CCCO 22a_200000698965_100000210174 [1,2,0,0,0,0|1,0,0]=4 3815 B15R1.1038 O=C(CO)Nc1cccc(c1)CCCO 527a_200000698965_100000210174 [1,2,0,0,0,0|1,0,0]=4 3816 B15R1.3839 CCC(=O)Nc1cccc(c1)CN(C)C 11a_100000738294_100000210414 [1,2,0,0,0,0|1,0,0]=4 3817 B15R1.3839 CCC(=O)Nc1cccc(c1)CN(C)C 22a_100000738294_100000210414 [1,2,0,0,0,0|1,0,0]=4 3818 B15R1.3839 CCC(=O)Nc1cccc(c1)CN(C)C 527a_100000738294_100000210414 [1,2,0,0,0,0|1,0,0]=4 3819 B15R1.3839 CCC(C)Nc1cccc(c1)NC(=O)C 34a_100000749408_100011215416 [1,2,0,0,0,0|1,0,0]=4 3820 B15R1.3839 CCC(C)Oc1cccc(c1)NC(=O)C 34a_100000158604_100011215416 [1,2,0,0,0,0|1,0,0]=4 3821 B15R1.3839 CCC(C)Oc1cccc(c1)NC(=O)C 7a_100000158604_100000758301 [1,2,0,0,0,0|1,0,0]=4 3822 B15R1.3839 CCC(C)Sc1cccc(c1)NC(=O)C 62a_100000758301_100000153616 [1,2,0,0,0,0|1,0,0]=4 3823 B15R1.3839 CN(C)Cc1cccc(c1)NC(=O)CO 22a_100000738294_100000210174 [1,2,0,0,0,0|1,0,0]=4 3824 B15R1.3839 CN(C)Cc1cccc(c1)NC(=O)CO 527a_100000738294_100000210174 [1,2,0,0,0,0|1,0,0]=4 3825 B15R1.3839 CNC(=O)Cc1cccc(c1)NC(=O)C 11a_100011690097_100015343762 [1,2,0,0,0,0|1,0,0]=4 3826 B15R1.3839 CNC(=O)Cc1cccc(c1)NC(=O)C 1626a_100011690097_100015343762 [1,2,0,0,0,0|1,0,0]=4 3827 B15R1.3839 CNC(=O)Cc1cccc(c1)NC(=O)C 22a_100011690097_100000070787 [1,2,0,0,0,0|1,0,0]=4 3828 B15R1.3839 CNC(=O)Cc1cccc(c1)NC(=O)C 527a_100011690097_100103153847 [1,2,0,0,0,0|1,0,0]=4 3829 B15R1.3839 COC(=O)Cc1cccc(c1)NC(=O)C 188690a_100000758884_100015343762 [1,2,0,0,0,0|0,0,0]=3 3830 B15R1.3839 COC(C)Sc1cc(ccn1)NC(=O)C 62a_100009879195_100000238608 [1,2,0,0,0,0|1,0,0]=4 3831 B15R1.3839 COC(C)Sc1cccc(c1)CC(=O)C 62a_100000689217_100009879195 [1,2,0,0,0,0|1,0,0]=4 3832 B15R1.3839 COC(C)Sc1cccc(c1)CC(=O)C 62a_100009879195_100000689217 [1,2,0,0,0,0|1,0,0]=4 3833 B15R1.3839 COC(C)Sc1cccc(c1)NC(=O)C 62a_100009879195_100000153616 [1,2,0,0,0,0|0,0,0]=3 3834 B15R1.3839 COC(C)Sc1cccc(c1)NC(=O)N 62a_100009879195_100000238923 [1,2,0,0,0,0|1,0,0]=4 3835 B15R1.3839 COC(C)Sc1cccc(c1)OC(=O)C 62a_100009879195_100009811612 [1,2,0,0,0,0|1,0,0]=4 3836 B15R1.3839 COC(C)Sc1cccc(n1)NC(=O)C 62a_100009879195_200011307899 [1,2,0,0,0,0|1,0,0]=4 3837 B15R1.3839 COC(C)Sc1ccnc(c1)NC(=O)C 62a_100009879195_100012362434 [1,2,0,0,0,0|1,0,0]=4 3838 B15R1.3839 COC(C)Sc1cncc(c1)NC(=O)C 62a_100009879195_100012351681 [1,2,0,0,0,0|1,0,0]=4 3839 B15R1.3840 CCC(=O)Nc1cccc(c1)C(=O)OC 188690a_100020604953_100000210414 [1,2,0,0,0,0|0,0,1]=4 3840 B15R1.3840 CCC(=O)Nc1cccc(c1)C(C)NC 269862a_106832991636_200000155548 [1,2,0,0,0,0|1,0,0]=4 3841 B15R1.3840 COC(=O)c1cccc(c1)NC(=O)CO 188690a_100020604953_100000210174 [1,2,0,0,0,0|0,0,1]=4 3842 B15R1.9453 C#CCC(=O)Nc1cccc(c1)COC 1626a_100000737370_100011220946 [1,2,0,0,0,0|0,0,0]=3 3843 B15R1.9453 C#CCC(=O)Nc1cccc(c1)COC 527a_100000737370_100011220946 [1,2,0,0,0,0|0,0,0]=3 3844 B15R1.9453 C=CCC(=O)Nc1cccc(c1)COC 11a_100000737370_100000210193 [1,2,0,0,0,0|0,0,0]=3 3845 B15R1.9453 C=CCC(=O)Nc1cccc(c1)COC 1626a_100000737370_100000210193 [1,2,0,0,0,0|0,0,0]=3 3846 B15R1.9453 C=CCC(=O)Nc1cccc(c1)COC 22a_100000737370_100000210193 [1,2,0,0,0,0|0,0,0]=3 3847 B15R1.9453 C=CCC(=O)Nc1cccc(c1)COC 527a_100000737370_100000210193 [1,2,0,0,0,0|0,0,0]=3 3848 B15R1.9453 CC#CC(=O)Nc1cccc(c1)COC 22a_100000737370_100000763181 [1,2,0,0,0,0|0,0,0]=3 3849 B15R1.9453 CC=CC(=O)Nc1cccc(c1)COC 11a_100000737370_100000210699 [1,2,0,0,0,0|0,0,0]=3 3850 B15R1.9453 CC=CC(=O)Nc1cccc(c1)COC 1626a_100000737370_100000210699 [1,2,0,0,0,0|0,0,0]=3 3851 B15R1.9453 CC=CC(=O)Nc1cccc(c1)COC 22a_100000737370_100000210699 [1,2,0,0,0,0|0,0,0]=3 3852 B15R1.9453 CCCC(=O)Nc1cccc(c1)COC 11a_100000737370_100000211992 [1,2,0,0,0,0|0,0,0]=3 3853 B15R1.9453 CCCC(=O)Nc1cccc(c1)COC 1626a_100000737370_100000211992 [1,2,0,0,0,0|0,0,0]=3 3854 B15R1.9453 CCCC(=O)Nc1cccc(c1)COC 22a_100000737370_100000211992 [1,2,0,0,0,0|0,0,0]=3 3855 B15R1.9453 CCCC(=O)Nc1cccc(c1)COC 527a_100000737370_100000211992 [1,2,0,0,0,0|0,0,0]=3 3856 B15R1.9453 CCNC(=O)Nc1cccc(c1)COC 2430a_100000737370_100015525214 [1,2,0,0,0,0|0,0,0]=3 3857 B15R1.9453 CCNC(=O)Nc1cccc(c1)COC 512a_100000737370_100015525214 [1,2,0,0,0,0|0,0,0]=3 3858 B15R1.9453 CNNC(=O)Nc1cccc(c1)COC 512a_100000737370_100016993582 [1,2,0,0,0,0|0,0,0]=3 3859 B15R1.9453 COCC(=O)Nc1cccc(c1)COC 11a_100000737370_100000210968 [1,2,0,0,0,0|0,0,0]=3 3860 B15R1.9453 COCC(=O)Nc1cccc(c1)COC 1626a_100000737370_100000210968 [1,2,0,0,0,0|0,0,0]=3 3861 B15R1.9453 COCC(=O)Nc1cccc(c1)COC 22a_100000737370_100000210968 [1,2,0,0,0,0|0,0,0]=3 3862 B15R1.9453 COCC(=O)Nc1cccc(c1)COC 527a_100000737370_100000210968 [1,2,0,0,0,0|0,0,0]=3 3863 B15R1.9453 COCc1cccc(c1)NC(=O)C=CBr 1626a_100000737370_100016273825 [1,2,0,0,0,0|0,0,1]=4 3864 B15R1.9453 COCc1cccc(c1)NC(=O)C=CCl 11a_100000737370_200016279998 [1,2,0,0,0,0|0,0,1]=4 3865 B15R1.9453 COCc1cccc(c1)NC(=O)C=CCl 1626a_100000737370_200016279998 [1,2,0,0,0,0|0,0,1]=4 3866 B15R1.9453 COCc1cccc(c1)NC(=O)C=CI 1626a_100000737370_100016256311 [1,2,0,0,0,0|0,0,1]=4 3867 B15R1.9453 COCc1cccc(c1)NC(=O)CC#N 1626a_100000737370_100051588842 [1,2,0,0,0,0|0,0,0]=3 3868 B15R1.9453 COCc1cccc(c1)NC(=O)CC#N 22a_100000737370_100051588842 [1,2,0,0,0,0|0,0,0]=3 3869 B15R1.9453 COCc1cccc(c1)NC(=O)CCO 22a_100000737370_100011216618 [1,2,0,0,0,0|0,0,0]=3 3870 B15R1.9453 COCc1cccc(c1)NC(=O)CSC 11a_100000737370_100000184570 [1,2,0,0,0,0|0,0,0]=3 3871 B15R1.9453 COCc1cccc(c1)NC(=O)CSC 1626a_100000737370_100000184570 [1,2,0,0,0,0|0,0,0]=3 3872 B15R1.9453 COCc1cccc(c1)NC(=O)CSC 22a_100000737370_100000184570 [1,2,0,0,0,0|0,0,0]=3 3873 B15R1.9453 COCc1cccc(c1)NC(=O)CSC 527a_100000737370_100000184570 [1,2,0,0,0,0|0,0,0]=3 3874 B15R1.969 COC(=O)c1cccc(c1C)NC(=O)C 188690a_100000736742_100015343762 [1,2,0,0,0,0|0,0,1]=4 3875 B15R1.969 COC(=O)c1cccc(c1F)NC(=O)C 188690a_100012186181_100015343762 [1,2,0,0,0,0|0,0,1]=4 3876 B15R1.1040 CCCNc1cccc(c1C)NC(=O)C 34a_100000736503_100000210303 [1,2,0,0,0,0|1,0,0]=4 3877 B15R1.1040 CCCNc1cccc(c1C)NC(=O)C 7a_100000736503_100000210303 [1,2,0,0,0,0|1,0,0]=4 3878 B15R1.1040 CSCNc1cccc(c1C)NC(=O)C 34a_100000736503_100011218213 [1,2,0,0,0,0|0,1,0]=4 3879 B15R1.798 CCCC(=O)c1cccc(c1)NC(=O)C 1458a_100000188798_100000210303 [1,2,0,0,0,0|1,0,0]=4 3880 B15R1.798 CCNC(C)c1cccc(c1)NC(=O)C 269862a_100015525214_100000155543 [1,2,0,0,0,0|1,0,0]=4 3881 B15R1.798 CCOC(=O)c1cccc(c1)NC(=O)C 188690a_100000204664_100015343762 [1,2,0,0,0,0|0,0,1]=4 3882 B15R1.11732 CNC(C)c1cccc(c1)N(C)C(=O)C 269862a_106832991636_100000069278 [1,2,0,0,0,0|1,0,0]=4 3883 B15R1.1180 C#CCNCc1cccc(c1)NC(=O)C 2230a_100000740035_100000038162 [1,2,0,0,0,0|1,0,0]=4 3884 B15R1.1180 C#CCNCc1cccc(c1)NC(=O)C 34a_100000740035_100000184674 [1,2,0,0,0,0|1,0,0]=4 3885 B15R1.1180 C#CCOCc1cccc(c1)OC(=O)C 34a_100000210247_200009816940 [1,2,0,0,0,0|1,0,0]=4 3886 B15R1.1180 C/C=C/CNc1cccc(c1)NC(=O)C 34a_100000749408_100102629194 [1,2,0,0,0,0|1,0,0]=4 3887 B15R1.1180 C/C=C/COc1cccc(c1)NC(=O)C 34a_100000158604_100102629194 [1,2,0,0,0,0|1,0,0]=4 3888 B15R1.1180 C/C=C/COc1cccc(c1)NC(=O)C 7a_100000158604_100102629194 [1,2,0,0,0,0|1,0,0]=4 3889 B15R1.1180 C/C=C/CSc1cccc(c1)NC(=O)C 62a_100102629194_100000153616 [1,2,0,0,0,0|1,0,0]=4 3890 B15R1.1180 C=CCNCc1cccc(c1)NC(=O)C 2230a_100000740035_100000210623 [1,2,0,0,0,0|1,0,0]=4 3891 B15R1.1180 C=CCNCc1cccc(c1)NC(=O)C 270004a_100020586998_100011257792 [1,2,0,0,0,0|1,0,0]=4 3892 B15R1.1180 C=CCNCc1cccc(c1)NC(=O)C 34a_100000740035_100015514636 [1,2,0,0,0,0|1,0,0]=4 3893 B15R1.1180 C=CCOCc1cccc(c1)OC(=O)C 34a_200000210373_200009816940 [1,2,0,0,0,0|1,0,0]=4 3894 B15R1.1180 CC#CCNc1cccc(c1)NC(=O)C 34a_100000749408_100000748600 [1,2,0,0,0,0|1,0,0]=4 3895 B15R1.1180 CC#CCOc1cccc(c1)NC(=O)C 34a_100000158604_100000748600 [1,2,0,0,0,0|1,0,0]=4 3896 B15R1.1180 CC#CCOc1cccc(c1)NC(=O)C 7a_100000158604_100000748600 [1,2,0,0,0,0|1,0,0]=4 3897 B15R1.1180 CC#CCSc1cccc(c1)NC(=O)C 62a_100000748600_100000153616 [1,2,0,0,0,0|1,0,0]=4 3898 B15R1.1180 CC(=O)Nc1cccc(c1)CNCC#N 2230a_100000740035_100011215382 [1,2,0,0,0,0|1,0,0]=4 3899 B15R1.1180 CC(=O)Nc1cccc(c1)CNCC=O 2230a_100000740035_200015260668 [1,2,0,0,0,0|1,0,0]=4 3900 B15R1.1180 CC(=O)Nc1cccc(c1)CNCC=O 34a_100000740035_200009817547 [1,2,0,0,0,0|1,0,0]=4 3901 B15R1.1180 CC(=O)Nc1cccc(c1)CNCCF 2230a_100000740035_100011217306 [1,2,0,0,0,0|1,0,0]=4 3902 B15R1.1180 CC(=O)Nc1cccc(c1)CNCCF 34a_100000740035_100011217306 [1,2,0,0,0,0|1,0,0]=4 3903 B15R1.1180 CC(=O)Nc1cccc(c1)CNCCO 207a_100000210304_100011257792 [1,2,0,0,0,0|1,0,0]=4 3904 B15R1.1180 CC(=O)Nc1cccc(c1)CNCCO 2230a_100000740035_100000211926 [1,2,0,0,0,0|1,0,0]=4 3905 B15R1.1180 CC(=O)Nc1cccc(c1)CNCCO 270004a_100000210304_100011257792 [1,2,0,0,0,0|1,0,0]=4 3906 B15R1.1180 CC(=O)Nc1cccc(c1)CNCCO 34a_100000740035_100000211926 [1,2,0,0,0,0|1,0,0]=4 3907 B15R1.1180 CC(=O)Nc1cccc(c1)NCCCF 34a_100000749408_100011934791 [1,2,0,0,0,0|1,0,0]=4 3908 B15R1.1180 CC(=O)Nc1cccc(c1)NCCCO 34a_100000749408_100000230001 [1,2,0,0,0,0|1,0,0]=4 3909 B15R1.1180 CC(=O)Nc1cccc(c1)OCCCF 34a_100000158604_100011934791 [1,2,0,0,0,0|1,0,0]=4 3910 B15R1.1180 CC(=O)Nc1cccc(c1)OCCCF 7a_100000158604_100011934791 [1,2,0,0,0,0|1,0,0]=4 3911 B15R1.1180 CC(=O)Nc1cccc(c1)OCCCO 34a_100000158604_100000230001 [1,2,0,0,0,0|1,0,0]=4 3912 B15R1.1180 CC(=O)Nc1cccc(c1)OCCCO 7a_100000158604_100011215043 [1,2,0,0,0,0|1,0,0]=4 3913 B15R1.1180 CC(=O)Nc1cccc(c1)SCCCF 62a_100011934791_100000153616 [1,2,0,0,0,0|1,0,0]=4 3914 B15R1.1180 CC(=O)Nc1cccc(c1)SCCCO 62a_100011215043_100000153616 [1,2,0,0,0,0|1,0,0]=4 3915 B15R1.1180 CC(=O)Oc1cccc(c1)COCCBr 34a_100000211926_200009816940 [1,2,0,0,0,0|1,0,0]=4 3916 B15R1.1180 CC(=O)Oc1cccc(c1)COCCN 34a_100000210304_200009816940 [1,2,0,0,0,0|1,0,0]=4 3917 B15R1.1180 CC=CCNc1cccc(c1)NC(=O)C 34a_100000749408_100000070051 [1,2,0,0,0,0|1,0,0]=4 3918 B15R1.1180 CC=CCOc1cccc(c1)NC(=O)C 34a_100000158604_100000070051 [1,2,0,0,0,0|1,0,0]=4 3919 B15R1.1180 CC=CCOc1cccc(c1)NC(=O)C 7a_100000158604_100000070051 [1,2,0,0,0,0|1,0,0]=4 3920 B15R1.1180 CC=CCSc1cccc(c1)NC(=O)C 62a_100000070051_100000153616 [1,2,0,0,0,0|1,0,0]=4 3921 B15R1.1180 CCCC=Cc1cccc(c1)NC(=O)C 271570a_100016258520_100000153616 [1,2,0,0,0,0|1,0,0]=4 3922 B15R1.1180 CCCCNc1cccc(c1)NC(=O)C 34a_100000749408_100000210210 [1,2,0,0,0,0|1,0,0]=4 3923 B15R1.1180 CCCCOc1cccc(c1)NC(=O)C 11a_100000744072_100015343762 [1,2,0,0,0,0|1,0,0]=4 3924 B15R1.1180 CCCCOc1cccc(c1)NC(=O)C 1626a_100000744072_100015343762 [1,2,0,0,0,0|1,0,0]=4 3925 B15R1.1180 CCCCOc1cccc(c1)NC(=O)C 22a_100000744072_100000070787 [1,2,0,0,0,0|1,0,0]=4 3926 B15R1.1180 CCCCOc1cccc(c1)NC(=O)C 34a_100000158604_100000210210 [1,2,0,0,0,0|1,0,0]=4 3927 B15R1.1180 CCCCOc1cccc(c1)NC(=O)C 527a_100000744072_100103153847 [1,2,0,0,0,0|1,0,0]=4 3928 B15R1.1180 CCCCOc1cccc(c1)NC(=O)C 7a_100000158604_100000210211 [1,2,0,0,0,0|1,0,0]=4 3929 B15R1.1180 CCCCSc1cccc(c1)NC(=O)C 62a_100000210211_100000153616 [1,2,0,0,0,0|1,0,0]=4 3930 B15R1.1180 CCCNCc1cccc(c1)NC(=O)C 207a_100020643023_100011257792 [1,2,0,0,0,0|1,0,0]=4 3931 B15R1.1180 CCCNCc1cccc(c1)NC(=O)C 2230a_100000740035_100000210303 [1,2,0,0,0,0|1,0,0]=4 3932 B15R1.1180 CCCNCc1cccc(c1)NC(=O)C 270004a_100020643023_100011257792 [1,2,0,0,0,0|1,0,0]=4 3933 B15R1.1180 CCCNCc1cccc(c1)NC(=O)C 34a_100000740035_100000210303 [1,2,0,0,0,0|1,0,0]=4 3934 B15R1.1180 CCCOCc1cccc(c1)OC(=O)C 34a_100000210258_200009816940 [1,2,0,0,0,0|1,0,0]=4 3935 B15R1.1180 CCOC=Cc1cccc(c1)NC(=O)C 271570a_100016256518_100000153616 [1,2,0,0,0,0|0,0,1]=4 3936 B15R1.1180 CCOCSc1cc(ccn1)NC(=O)C 62a_100000739092_100000238608 [1,2,0,0,0,0|1,0,0]=4 3937 B15R1.1180 CCOCSc1cccc(c1)CC(=O)C 62a_100000689217_100000739092 [1,2,0,0,0,0|1,0,0]=4 3938 B15R1.1180 CCOCSc1cccc(c1)CC(=O)C 62a_100000739092_100000689217 [1,2,0,0,0,0|1,0,0]=4 3939 B15R1.1180 CCOCSc1cccc(c1)NC(=O)C 62a_100000739092_100000153616 [1,2,0,0,0,0|0,0,0]=3 3940 B15R1.1180 CCOCSc1cccc(c1)NC(=O)N 62a_100000739092_100000238923 [1,2,0,0,0,0|1,0,0]=4 3941 B15R1.1180 CCOCSc1cccc(c1)OC(=O)C 62a_100000739092_100009811612 [1,2,0,0,0,0|1,0,0]=4 3942 B15R1.1180 CCOCSc1cccc(n1)NC(=O)C 62a_100000739092_200011307899 [1,2,0,0,0,0|1,0,0]=4 3943 B15R1.1180 CCOCSc1ccnc(c1)NC(=O)C 62a_100000739092_100012362434 [1,2,0,0,0,0|1,0,0]=4 3944 B15R1.1180 CCOCSc1cncc(c1)NC(=O)C 62a_100000739092_100012351681 [1,2,0,0,0,0|1,0,0]=4 3945 B15R1.1180 COCC=Cc1cc(ccn1)NC(=O)C 271570a_100016286323_100000238608 [1,2,0,0,0,0|1,0,0]=4 3946 B15R1.1180 COCC=Cc1cccc(c1)CC(=O)C 271570a_100016286323_100000689217 [1,2,0,0,0,0|1,0,0]=4 3947 B15R1.1180 COCC=Cc1cccc(c1)NC(=O)C 271570a_100016286323_100000153616 [1,2,0,0,0,0|0,0,0]=3 3948 B15R1.1180 COCC=Cc1cccc(c1)NC(=O)N 271570a_100016286323_100000238923 [1,2,0,0,0,0|1,0,0]=4 3949 B15R1.1180 COCC=Cc1cccc(c1)OC(=O)C 271570a_100016286323_100009811612 [1,2,0,0,0,0|1,0,0]=4 3950 B15R1.1180 COCC=Cc1cccc(n1)NC(=O)C 271570a_100016286323_200011307899 [1,2,0,0,0,0|1,0,0]=4 3951 B15R1.1180 COCC=Cc1ccnc(c1)NC(=O)C 271570a_100016286323_100012362434 [1,2,0,0,0,0|1,0,0]=4 3952 B15R1.1180 COCC=Cc1cncc(c1)NC(=O)C 271570a_100016286323_100012351681 [1,2,0,0,0,0|1,0,0]=4 3953 B15R1.1180 COCCNc1cccc(c1)NC(=O)C 34a_100000749408_100011201679 [1,2,0,0,0,0|0,0,0]=3 3954 B15R1.1180 COCCNc1cccc(c1)NC(=O)N 34a_100000736001_100011201679 [1,2,0,0,0,0|1,0,0]=4 3955 B15R1.1180 COCCOc1cccc(c1)NC(=O)C 11a_100000742008_100015343762 [1,2,0,0,0,0|0,0,0]=3 3956 B15R1.1180 COCCOc1cccc(c1)NC(=O)C 1626a_100000742008_100015343762 [1,2,0,0,0,0|0,0,0]=3 3957 B15R1.1180 COCCOc1cccc(c1)NC(=O)C 22a_100000742008_100000070787 [1,2,0,0,0,0|0,0,0]=3 3958 B15R1.1180 COCCOc1cccc(c1)NC(=O)C 34a_100000158604_100011201679 [1,2,0,0,0,0|0,0,0]=3 3959 B15R1.1180 COCCOc1cccc(c1)NC(=O)C 527a_100000742008_100103153847 [1,2,0,0,0,0|0,0,0]=3 3960 B15R1.1180 COCCOc1cccc(c1)NC(=O)C 7a_100000158604_100000233755 [1,2,0,0,0,0|0,0,0]=3 3961 B15R1.1180 COCCOc1cccc(c1)NC(=O)N 34a_100011219624_100011201679 [1,2,0,0,0,0|1,0,0]=4 3962 B15R1.1180 COCCOc1cccc(c1)NC(=O)N 7a_100011219624_100000233755 [1,2,0,0,0,0|1,0,0]=4 3963 B15R1.1180 COCCOc1cccc(c1)OC(=O)C 7a_100011218754_100000233755 [1,2,0,0,0,0|1,0,0]=4 3964 B15R1.1180 COCCSc1cc(ccn1)NC(=O)C 62a_100000233755_100000238608 [1,2,0,0,0,0|1,0,0]=4 3965 B15R1.1180 COCCSc1cccc(c1)CC(=O)C 62a_100000233755_100000689217 [1,2,0,0,0,0|1,0,0]=4 3966 B15R1.1180 COCCSc1cccc(c1)CC(=O)C 62a_100000689217_100000233755 [1,2,0,0,0,0|1,0,0]=4 3967 B15R1.1180 COCCSc1cccc(c1)NC(=O)C 62a_100000233755_100000153616 [1,2,0,0,0,0|0,0,0]=3 3968 B15R1.1180 COCCSc1cccc(c1)NC(=O)N 62a_100000233755_100000238923 [1,2,0,0,0,0|1,0,0]=4 3969 B15R1.1180 COCCSc1cccc(c1)OC(=O)C 62a_100000233755_100009811612 [1,2,0,0,0,0|1,0,0]=4 3970 B15R1.1180 COCCSc1cccc(n1)NC(=O)C 62a_100000233755_200011307899 [1,2,0,0,0,0|1,0,0]=4 3971 B15R1.1180 COCCSc1ccnc(c1)NC(=O)C 62a_100000233755_100012362434 [1,2,0,0,0,0|1,0,0]=4 3972 B15R1.1180 COCCSc1cncc(c1)NC(=O)C 62a_100000233755_100012351681 [1,2,0,0,0,0|1,0,0]=4 3973 B15R1.1180 COCNCc1cccc(c1)NC(=O)C 2230a_100000740035_100000766300 [1,2,0,0,0,0|0,0,0]=3 3974 B15R1.1180 COCSCc1cccc(c1)OC(=O)C 62a_100000766300_200009816940 [1,2,0,0,0,0|1,0,0]=4 3975 B15R1.1180 COCSCc1cccc(c1)OC(=O)C 62a_200009816940_100000766300 [1,2,0,0,0,0|1,0,0]=4 3976 B15R1.1180 CSCCNc1cccc(c1)NC(=O)C 34a_100000749408_100000212216 [1,2,0,0,0,0|0,1,0]=4 3977 B15R1.1180 CSCCOc1cccc(c1)NC(=O)C 34a_100000158604_100000212216 [1,2,0,0,0,0|0,1,0]=4 3978 B15R1.1180 CSCCOc1cccc(c1)NC(=O)C 7a_100000158604_100000212216 [1,2,0,0,0,0|0,1,0]=4 3979 B15R1.1180 CSCCSc1cccc(c1)NC(=O)C 62a_100000212216_100000153616 [1,2,0,0,0,0|0,1,0]=4 3980 B15R1.1180 CSCNCc1cccc(c1)NC(=O)C 2230a_100000740035_100011218213 [1,2,0,0,0,0|0,1,0]=4 3981 B15R1.1180 CSCNCc1cccc(c1)NC(=O)C 34a_100000740035_100011218213 [1,2,0,0,0,0|0,1,0]=4 3982 B15R1.5772 CCCNc1cccc(c1)N(C)C(=O)C 34a_100000765750_100000210303 [1,2,0,0,0,0|1,0,0]=4 3983 B15R1.5772 CCNCc1cccc(c1)N(C)C(=O)C 2230a_100020605210_100000210202 [1,2,0,0,0,0|1,0,0]=4 3984 B15R1.5772 CSCNc1cccc(c1)N(C)C(=O)C 34a_100000765750_100011218213 [1,2,0,0,0,0|0,1,0]=4 3985 B15R1.1160 C/C=C/CNc1cc(ccc1Br)COC 34a_200013033220_100102629194 [1,2,0,0,0,0|1,0,0]=4 3986 B15R1.1160 CC=CCNc1cc(ccc1Br)COC 34a_200013033220_100000070051 [1,2,0,0,0,0|1,0,0]=4 3987 B15R1.12138 CCNCc1cc(ccc1O)SCOC 62a_100000765307_100000766300 [1,2,0,0,0,0|0,0,1]=4 3988 B15R1.12138 CCNCc1cc(ccc1O)SCOC 62a_100000766300_100000765307 [1,2,0,0,0,0|0,0,1]=4 3989 B15R1.12139 CC=Cc1cc(ccc1OC)OCOC 271570a_100016259895_200161107199 [1,2,0,0,0,0|1,0,0]=4 3990 B15R1.5634 CCC(=O)Nc1cc(ccc1COC)Br 11a_100013084866_100000210414 [0,1,0,0,1,1|1,0,0]=4 3991 B15R1.5634 CCC(=O)Nc1cc(ccc1COC)Br 1626a_100013084866_100000210414 [0,1,0,0,1,1|1,0,0]=4 3992 B15R1.5634 CCC(=O)Nc1cc(ccc1COC)Br 22a_100013084866_100000210414 [0,1,0,0,1,1|1,0,0]=4 3993 B15R1.5634 CCC(=O)Nc1cc(ccc1COC)Br 527a_100013084866_100000210414 [0,1,0,0,1,1|1,0,0]=4 3994 B15R1.5634 CNC(=O)Nc1cc(ccc1COC)Br 2430a_100013084866_100102657272 [0,1,0,0,1,1|1,0,0]=4 3995 B15R1.5634 CNC(=O)Nc1cc(ccc1COC)Br 512a_100013084866_100102657272 [0,1,0,0,1,1|1,0,0]=4 3996 B15R1.5634 COCc1ccc(cc1NC(=O)CO)Br 22a_100013084866_100000210174 [0,1,0,0,1,1|1,0,0]=4 3997 B15R1.5634 COCc1ccc(cc1NC(=O)CO)Br 527a_100013084866_100000210174 [0,1,0,0,1,1|1,0,0]=4 3998 B15R1.12062 COCSc1ccc(cc1NC(=O)C)C 62a_100000766300_100000182586 [0,1,0,0,1,1|1,0,0]=4 3999 B15R1.12062 COCSc1ccc(cc1NC(=O)C)F 62a_100000766300_100012558231 [0,1,0,0,1,1|1,0,0]=4 4000 B15R1.992 COC(=O)c1ccc(c(c1)O)NC(=O)C 188690a_100000757247_100015343762 [0,1,0,0,1,1|0,0,1]=4 4001 B15R1.1059 COCSc1ccc(c(c1)C)NC(=O)C 62a_100000766300_100000152120 [0,1,0,0,1,1|1,0,0]=4 4002 B15R1.1059 COCSc1ccc(c(c1)Cl)NC(=O)C 62a_100000766300_100011273303 [0,1,0,0,1,1|1,0,0]=4 4003 B15R1.1059 COCSc1ccc(c(c1)F)NC(=O)C 62a_100000766300_100000155584 [0,1,0,0,1,1|1,0,0]=4 4004 B15R1.1059 COCSc1cnc(c(c1)C)NC(=O)C 62a_100000766300_200011934169 [0,1,0,0,1,1|1,0,0]=4 4005 B15R1.1060 COCSc1ccc(c(c1)S(=O)(=O)C)O 62a_200015712519_100000766300 [0,2,0,0,1,0|1,0,0]=4 4006 B15R1.3849 C=C(C)c1cc(ccc1O)CC(=O)OC 271570a_100000694244_100010222482 [0,2,0,0,1,0|1,0,0]=4 4007 B15R1.3849 COC(C)Sc1ccc(c(c1)C(=O)C)C 62a_100012706819_100009879195 [0,2,0,0,1,0|1,0,0]=4 4008 B15R1.3849 COC(C)Sc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100009879195 [0,2,0,0,1,0|1,0,0]=4 4009 B15R1.3849 COC(C)Sc1ccc(c(c1)C(=O)C)F 62a_100000689017_100009879195 [0,2,0,0,1,0|1,0,0]=4 4010 B15R1.3849 COC(C)Sc1ccc(c(c1)C(=O)C)F 62a_100009879195_100010254839 [0,2,0,0,1,0|1,0,0]=4 4011 B15R1.3849 COC(C)Sc1ccc(c(c1)C(=O)C)N 62a_100000695420_100009879195 [0,2,0,0,1,0|1,0,0]=4 4012 B15R1.3849 COC(C)Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_100009879195 [0,2,0,0,1,0|1,0,0]=4 4013 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)OC 7a_100000030976_200000210301 [0,2,0,0,1,0|0,0,1]=4 4014 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000030976_200025704644 [0,2,0,0,1,0|0,0,1]=4 4015 B15R1.1196 CCCC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016258520_100000212127 [0,2,0,0,1,0|1,0,0]=4 4016 B15R1.1196 CCOC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016256518_100000212127 [0,2,0,0,1,0|0,0,1]=4 4017 B15R1.1196 CCOCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100000739092 [0,2,0,0,1,0|1,0,0]=4 4018 B15R1.1196 CCOCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100000739092 [0,2,0,0,1,0|1,0,0]=4 4019 B15R1.1196 CCOCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100000739092 [0,2,0,0,1,0|1,0,0]=4 4020 B15R1.1196 CCOCSc1ccc(c(c1)C(=O)C)F 62a_100000739092_100010254839 [0,2,0,0,1,0|1,0,0]=4 4021 B15R1.1196 CCOCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100000739092 [0,2,0,0,1,0|1,0,0]=4 4022 B15R1.1196 CCOCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000739092 [0,2,0,0,1,0|1,0,0]=4 4023 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)C 271570a_100016286323_100012706819 [0,2,0,0,1,0|1,0,0]=4 4024 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100016286323_100010712560 [0,2,0,0,1,0|1,0,0]=4 4025 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)F 271570a_100016286323_100000689017 [0,2,0,0,1,0|1,0,0]=4 4026 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)N 271570a_100016286323_100000695420 [0,2,0,0,1,0|1,0,0]=4 4027 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016286323_100000212127 [0,2,0,0,1,0|0,0,0]=3 4028 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016286323_100000192807 [0,2,0,0,1,0|1,0,0]=4 4029 B15R1.1196 COCCOc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_100011201679 [0,2,0,0,1,0|1,0,0]=4 4030 B15R1.1196 COCCOc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_100000233755 [0,2,0,0,1,0|1,0,0]=4 4031 B15R1.1196 COCCOc1ccc(c(c1)C(=O)C)F 34a_100000091700_100011201679 [0,2,0,0,1,0|1,0,0]=4 4032 B15R1.1196 COCCOc1ccc(c(c1)C(=O)C)F 7a_100000091700_100000233755 [0,2,0,0,1,0|1,0,0]=4 4033 B15R1.1196 COCCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100000233755 [0,2,0,0,1,0|1,0,0]=4 4034 B15R1.1196 COCCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100000233755 [0,2,0,0,1,0|1,0,0]=4 4035 B15R1.1196 COCCSc1ccc(c(c1)C(=O)C)F 62a_100000233755_100010254839 [0,2,0,0,1,0|1,0,0]=4 4036 B15R1.1196 COCCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100000233755 [0,2,0,0,1,0|1,0,0]=4 4037 B15R1.1196 COCCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100000233755 [0,2,0,0,1,0|1,0,0]=4 4038 B15R1.1196 COCCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000233755 [0,2,0,0,1,0|1,0,0]=4 4039 B15R1.5775 CCCCc1cc(c(cc1C)O)C(=O)C 271570a_100020621405_200010233951 [0,2,0,0,1,0|1,0,0]=4 4040 B15R1.5775 CCCCc1cc(c(cc1F)O)C(=O)C 271570a_100020621405_100000691652 [0,2,0,0,1,0|1,0,0]=4 4041 B15R1.5775 CCCSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_100000210303 [0,2,0,0,1,0|1,0,0]=4 4042 B15R1.5775 CCCSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_100000210303 [0,2,0,0,1,0|1,0,0]=4 4043 B15R1.5775 COCSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_100000766300 [0,2,0,0,1,0|0,0,0]=3 4044 B15R1.5775 COCSc1cc(c(cc1F)F)C(=O)C 62a_100009817148_100000766300 [0,2,0,0,1,0|1,0,0]=4 4045 B15R1.5775 COCSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_100000766300 [0,2,0,0,1,0|0,0,0]=3 4046 B15R1.5775 CSCSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_100011218213 [0,2,0,0,1,0|0,1,0]=4 4047 B15R1.5775 CSCSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_100011218213 [0,2,0,0,1,0|0,1,0]=4 4048 B15R1.12146 C=C(C)c1cc(ccc1OC)OCOC 271570a_100000694244_200161107199 [0,2,0,0,1,0|1,0,0]=4 4049 B15R1.12146 CCCCc1ccc(c(c1)C(=O)C)OC 271570a_100020621405_100000173343 [0,2,0,0,1,0|1,0,0]=4 4050 B15R1.12146 CCCOc1ccc(c(c1)C(=O)C)OC 34a_100000081070_100000210303 [0,2,0,0,1,0|1,0,0]=4 4051 B15R1.12146 CCCOc1ccc(c(c1)C(=O)C)OC 7a_100000081070_100000210303 [0,2,0,0,1,0|1,0,0]=4 4052 B15R1.12146 CCCSc1ccc(c(c1)C(=O)C)OC 62a_100000173343_100000210303 [0,2,0,0,1,0|1,0,0]=4 4053 B15R1.12146 COCSc1ccc(c(c1)C(=O)C)OC 62a_100000173343_100000766300 [0,2,0,0,1,0|0,0,0]=3 4054 B15R1.12146 COCSc1cnc(c(c1)C(=O)C)OC 62a_100000766300_100010135678 [0,2,0,0,1,0|1,0,0]=4 4055 B15R1.12146 COCSc1cnc(c(c1)C(=O)C)OC 62a_100010135678_100000766300 [0,2,0,0,1,0|1,0,0]=4 4056 B15R1.12146 COc1ccc(cc1C(=O)C)OCSC 34a_100000081070_100011218213 [0,2,0,0,1,0|0,1,0]=4 4057 B15R1.12146 COc1ccc(cc1C(=O)C)SCSC 62a_100000173343_100011218213 [0,2,0,0,1,0|0,1,0]=4 4058 B15R1.26746 COCc1c(cc(c(c1C)C(=O)C)C)C 34a_100138415774_100000008369 [0,2,0,0,1,0|1,0,0]=4 4059 B15R1.9648 CCCc1ccc(c(c1)C(=O)C)OCC 34a_200011698639_100000210202 [0,2,0,0,1,0|1,0,0]=4 4060 B15R1.9648 CCCc1ccc(c(c1)C(=O)C)OCC 7a_200011698639_100000210202 [0,2,0,0,1,0|1,0,0]=4 4061 B15R1.9648 CCCc1ccc(c(c1)C(=O)C)OCF 34a_200011698639_100015361967 [0,2,0,0,1,0|1,0,0]=4 4062 B15R1.9648 CCCc1ccc(c(c1)C(=O)C)OCF 7a_200011698639_100015361967 [0,2,0,0,1,0|1,0,0]=4 4063 B17R1.18189 CCCc1ccc(c(c1)C(=NNC(=O)C)C)O 4a_100000189765_200011698639 [0,1,0,0,0,2|1,0,0]=4 4064 B17R1.18229 COCc1ccc(c(c1)NCC(=O)C(=O)C)Br 34a_200013033220_100011261029 [0,1,0,0,0,2|1,0,0]=4 4065 B17R1.18288 CNC(=O)CCNc1cc(ccc1Br)COC 34a_200013033220_100012179268 [0,1,0,0,0,2|1,0,0]=4 4066 B17R1.18288 COCc1ccc(c(c1)NCCC(=O)OC)Br 34a_200013033220_100000742370 [0,1,0,0,0,2|1,0,0]=4 4067 B17R1.24859 COC(=O)c1ccc(c(c1)C=NNC(=O)C)O 4a_100000189765_100000058993 [0,1,0,0,0,2|0,0,1]=4 4068 B17R1.18227 CCNC(=O)CNc1cc(ccc1Br)COC 34a_200013033220_100000183381 [0,2,0,0,0,1|1,0,0]=4 4069 B17R1.18227 CCOC(=O)CNc1cc(ccc1Br)COC 34a_200013033220_100000188475 [0,2,0,0,0,1|1,0,0]=4 4070 B17R1.18227 COCc1ccc(c(c1)NCC(=O)NCO)Br 34a_200013033220_100000185155 [0,2,0,0,0,1|1,0,0]=4 4071 B17R1.18243 CNC(=O)C(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100011218921 [0,2,0,0,0,1|1,0,0]=4 4072 B17R1.18243 CNC(=O)C(C)Nc1cc(ccc1Br)COC 34a_200013033220_100000731044 [0,2,0,0,0,1|1,0,0]=4 4073 B17R1.18243 CNC(=O)C(F)Nc1cc(ccc1Br)COC 34a_200013033220_100009813575 [0,2,0,0,0,1|1,0,0]=4 4074 B17R1.18243 COCc1ccc(c(c1)NC(=O)C(=O)OC)Br 11a_200013033220_100000024059 [0,2,0,0,0,1|1,0,0]=4 4075 B17R1.18243 COCc1ccc(c(c1)NC(=O)C(=O)OC)Br 1626a_200013033220_100000024059 [0,2,0,0,0,1|1,0,0]=4 4076 B17R1.18243 COCc1ccc(c(c1)NC(C)C(=O)OC)Br 34a_200013033220_100000211248 [0,2,0,0,0,1|1,0,0]=4 4077 B17R1.37748 CCC(C)Nc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100011215416 [0,3,0,0,0,0|1,0,0]=4 4078 B17R1.37748 CCC(C)Nc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100000758301 [0,3,0,0,0,0|1,0,0]=4 4079 B17R1.37748 CCC(C)Sc1ccc(c(c1)NC(=O)C)OC 62a_100000758301_200011407902 [0,3,0,0,0,0|1,0,0]=4 4080 B17R1.37748 COc1ccc(cc1CC(=O)C)SC(C)OC 62a_200011493461_100009879195 [0,3,0,0,0,0|1,0,0]=4 4081 B17R1.37748 COc1ccc(cc1NC(=O)C)SC(C)OC 62a_100009879195_200011407902 [0,3,0,0,0,0|0,0,0]=3 4082 B17R1.38235 CCC(=O)Nc1cc(ccc1Cl)CC(=O)OC 188690a_100009845532_100000210414 [0,3,0,0,0,0|1,0,0]=4 4083 B17R1.38235 CCC(=O)Nc1cc(ccc1O)CC(=O)OC 188690a_100000067991_100000210414 [0,3,0,0,0,0|0,0,0]=3 4084 B17R1.38235 COC(=O)Cc1cc(ccc1O)SC(C)OC 62a_100009879195_100010185610 [0,3,0,0,0,0|1,0,0]=4 4085 B17R1.38235 COC(=O)Cc1cc(ccc1O)SC(C)OC 62a_100010185610_100009879195 [0,3,0,0,0,0|1,0,0]=4 4086 B17R1.38235 COC(=O)Cc1ccc(c(c1)NC(=O)CO)Cl 188690a_100009845532_100000210174 [0,3,0,0,0,0|1,0,0]=4 4087 B17R1.38235 COC(=O)Cc1ccc(c(c1)NC(=O)CO)O 188690a_100000067991_100000210174 [0,3,0,0,0,0|0,0,0]=3 4088 B17R1.180044 COC(C)Sc1cc(c(cc1F)F)NC(=O)C 62a_100009879195_200013902858 [0,3,0,0,0,0|1,0,0]=4 4089 B17R1.180044 COC(C)Sc1cc(c(cc1F)F)NC(=O)C 62a_200013902858_100009879195 [0,3,0,0,0,0|1,0,0]=4 4090 B17R1.1676 CC(=O)Nc1cc(ccc1O)NC(C)CCO 34a_100000070259_100009893172 [0,3,0,0,0,0|1,0,0]=4 4091 B17R1.1676 CC(=O)Nc1cc(ccc1O)NC(C)CCO 7a_100000070259_100009893172 [0,3,0,0,0,0|1,0,0]=4 4092 B17R1.1676 CCCC(=O)Nc1ccc(c(c1)NC(=O)C)O 22a_100000070259_100000211992 [0,3,0,0,0,0|1,0,0]=4 4093 B17R1.1676 CCCC(=O)Nc1ccc(c(c1)NC(=O)C)O 527a_100000070259_100000211992 [0,3,0,0,0,0|1,0,0]=4 4094 B17R1.1676 CCCC(C)Nc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000766640 [0,3,0,0,0,0|1,0,0]=4 4095 B17R1.1676 CCCC(C)Nc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000766640 [0,3,0,0,0,0|1,0,0]=4 4096 B17R1.1676 CCOC(=O)Cc1ccc(c(c1)NC(=O)C)F 188690a_100009856812_100015343762 [0,3,0,0,0,0|1,0,0]=4 4097 B17R1.1676 CCOC(=O)Cc1ccc(c(c1)NC(=O)C)O 188690a_100009882003_100015343762 [0,3,0,0,0,0|0,0,0]=3 4098 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)C 11a_100000740626_100000210968 [0,3,0,0,0,0|1,0,0]=4 4099 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)C 11a_200011203084_100015343762 [0,3,0,0,0,0|1,0,0]=4 4100 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)C 1626a_100000740626_100000210968 [0,3,0,0,0,0|1,0,0]=4 4101 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)C 1626a_200011203084_100015343762 [0,3,0,0,0,0|1,0,0]=4 4102 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)C 22a_100000740626_100000210968 [0,3,0,0,0,0|1,0,0]=4 4103 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)C 22a_200011203084_100000070787 [0,3,0,0,0,0|1,0,0]=4 4104 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)C 527a_100000740626_100000210968 [0,3,0,0,0,0|1,0,0]=4 4105 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)C 527a_200011203084_100103153847 [0,3,0,0,0,0|1,0,0]=4 4106 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 11a_100000745429_100000210968 [0,3,0,0,0,0|1,0,0]=4 4107 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 11a_100011193636_100015343762 [0,3,0,0,0,0|1,0,0]=4 4108 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 1626a_100000745429_100000210968 [0,3,0,0,0,0|1,0,0]=4 4109 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 1626a_100011193636_100015343762 [0,3,0,0,0,0|1,0,0]=4 4110 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 22a_100000745429_100000210968 [0,3,0,0,0,0|1,0,0]=4 4111 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)Cl 527a_100000745429_100000210968 [0,3,0,0,0,0|1,0,0]=4 4112 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)F 11a_100000736141_100000210968 [0,3,0,0,0,0|1,0,0]=4 4113 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)F 1626a_100000736141_100000210968 [0,3,0,0,0,0|1,0,0]=4 4114 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)F 22a_100000736141_100000210968 [0,3,0,0,0,0|1,0,0]=4 4115 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)F 527a_100000736141_100000210968 [0,3,0,0,0,0|1,0,0]=4 4116 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)O 22a_100000070259_100000210968 [0,3,0,0,0,0|0,0,0]=3 4117 B17R1.1676 COCC(=O)Nc1ccc(c(c1)NC(=O)C)O 527a_100000070259_100000210968 [0,3,0,0,0,0|0,0,0]=3 4118 B17R1.1676 COCC(C)Nc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000765312 [0,3,0,0,0,0|1,0,0]=4 4119 B17R1.1676 COCC(C)Nc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000765312 [0,3,0,0,0,0|1,0,0]=4 4120 B17R1.1676 COCC(C)Nc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000765312 [0,3,0,0,0,0|1,0,0]=4 4121 B17R1.1676 COCC(C)Nc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000765312 [0,3,0,0,0,0|1,0,0]=4 4122 B17R1.1676 COCC(C)Nc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000765312 [0,3,0,0,0,0|1,0,0]=4 4123 B17R1.1676 COCC(C)Nc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000765312 [0,3,0,0,0,0|1,0,0]=4 4124 B17R1.1676 COCC(C)Nc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000765312 [0,3,0,0,0,0|0,0,0]=3 4125 B17R1.1676 COCC(C)Nc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000765312 [0,3,0,0,0,0|0,0,0]=3 4126 B17R1.1676 COCC(C)Sc1ccc(c(c1)CC(=O)C)O 62a_100000765312_200010006938 [0,3,0,0,0,0|1,0,0]=4 4127 B17R1.1676 COCC(C)Sc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000765312 [0,3,0,0,0,0|1,0,0]=4 4128 B17R1.1676 COCC(C)Sc1ccc(c(c1)NC(=O)C)C 62a_100000765312_100011344836 [0,3,0,0,0,0|1,0,0]=4 4129 B17R1.1676 COCC(C)Sc1ccc(c(c1)NC(=O)C)F 62a_100000765312_200011951791 [0,3,0,0,0,0|1,0,0]=4 4130 B17R1.1676 CSCC(=O)Nc1ccc(c(c1)NC(=O)C)O 22a_100000070259_100000184570 [0,3,0,0,0,0|0,1,0]=4 4131 B17R1.1676 CSCC(=O)Nc1ccc(c(c1)NC(=O)C)O 527a_100000070259_100000184570 [0,3,0,0,0,0|0,1,0]=4 4132 B17R1.8813 CCC(CC)Nc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000210505 [0,3,0,0,0,0|1,0,0]=4 4133 B17R1.13086 CCC(C)(C)Nc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000210677 [0,3,0,0,0,0|1,0,0]=4 4134 B17R1.23511 CC(=O)Nc1cc(ccc1O)NC(C)C(=O)C 7a_100000070259_100000179758 [0,3,0,0,0,0|1,0,0]=4 4135 B17R1.37966 CCC(=O)Nc1cc(ccc1O)C(C)(C)CC 1626a_100011217233_100000210414 [0,3,0,0,0,0|1,0,0]=4 4136 B17R1.37966 CCC(=O)Nc1cc(ccc1O)C(C)(C)CC 22a_100011217233_100000210414 [0,3,0,0,0,0|1,0,0]=4 4137 B17R1.37966 CCC(=O)Nc1cc(ccc1O)C(C)(C)CC 527a_100011217233_100000210414 [0,3,0,0,0,0|1,0,0]=4 4138 B17R1.37966 CCC(C)(C)c1ccc(c(c1)NC(=O)CO)O 22a_100011217233_100000210174 [0,3,0,0,0,0|1,0,0]=4 4139 B17R1.37966 CCC(C)(C)c1ccc(c(c1)NC(=O)CO)O 527a_100011217233_100000210174 [0,3,0,0,0,0|1,0,0]=4 4140 B17R1.37966 CCC(C)(C)c1ccc(c(c1)NC(=O)NC)O 2430a_100011217233_100102657272 [0,3,0,0,0,0|1,0,0]=4 4141 B17R1.1593 CCCNC(=O)c1ccc(c(c1)NC(=O)C)O 240690a_100020643023_100011219828 [0,3,0,0,0,0|1,0,0]=4 4142 B17R1.1593 COCCC(=O)c1ccc(c(c1)NC(=O)C)C 1458a_100000194935_100000233755 [0,3,0,0,0,0|1,0,0]=4 4143 B17R1.1593 COCCC(=O)c1ccc(c(c1)NC(=O)C)F 1458a_100000744603_100000233755 [0,3,0,0,0,0|1,0,0]=4 4144 B17R1.21946 CCNC(C)c1ccc(c(c1)NC(=O)C)OC 269862a_100015525214_100000058992 [0,3,0,0,0,0|1,0,0]=4 4145 B17R1.21946 CCOC(=O)c1ccc(c(c1)NC(=O)C)OC 188690a_100011450573_100015343762 [0,3,0,0,0,0|0,0,1]=4 4146 B17R1.21947 CCOC(=O)c1ccc(c(c1)NC(=O)CC)O 188690a_100011450745_100000210414 [0,3,0,0,0,0|0,0,1]=4 4147 B17R1.21947 CCOC(=O)c1ccc(c(c1)NC(=O)CO)O 188690a_100011450745_100000210174 [0,3,0,0,0,0|0,0,1]=4 4148 B17R1.4714 CCC(=O)Nc1cc(ccc1OC)C(=O)OC 188690a_100011217029_100000210414 [0,3,0,0,0,0|0,0,1]=4 4149 B17R1.4714 COC(=O)c1ccc(c(c1)NC(=O)CO)OC 188690a_100011217029_100000210174 [0,3,0,0,0,0|0,0,1]=4 4150 B17R1.28786 COC(=O)c1cc(c(cc1Cl)OC)NC(=O)C 188690a_200010587299_100015343762 [0,3,0,0,0,0|0,0,1]=4 4151 B17R1.28786 COC(=O)c1cc(c(cc1F)OC)NC(=O)C 188690a_100010751976_100015343762 [0,3,0,0,0,0|0,0,1]=4 4152 B17R1.1609 C#CCC(=O)Nc1cc(ccc1O)C(=O)OC 188690a_100000724433_100011220946 [0,3,0,0,0,0|0,0,1]=4 4153 B17R1.1609 C=CCC(=O)Nc1cc(ccc1O)C(=O)OC 188690a_100000724433_100000210193 [0,3,0,0,0,0|0,0,1]=4 4154 B17R1.1609 CC=CC(=O)Nc1cc(ccc1O)C(=O)OC 188690a_100000724433_100000210699 [0,3,0,0,0,0|0,0,1]=4 4155 B17R1.1609 CCCC(=O)Nc1cc(ccc1O)C(=O)OC 188690a_100000724433_100000211992 [0,3,0,0,0,0|0,0,1]=4 4156 B17R1.1609 COC(=O)c1ccc(c(c1)NC(=O)CSC)O 188690a_100000724433_100000184570 [0,3,0,0,0,0|0,0,1]=4 4157 B17R1.1609 COCC(=O)Nc1cc(ccc1O)C(=O)OC 188690a_100000724433_100000210968 [0,3,0,0,0,0|0,0,1]=4 4158 B17R1.384495 CCC(=O)Nc1cc(cc(c1O)Cl)C(=O)OC 188690a_100010571316_100000210414 [0,3,0,0,0,0|0,0,1]=4 4159 B17R1.384495 COC(=O)c1cc(c(c(c1)NC(=O)CO)O)Cl 188690a_100010571316_100000210174 [0,3,0,0,0,0|0,0,1]=4 4160 B17R1.397341 CCC(=O)Nc1cc(c(cc1O)O)C(=O)OC 188690a_200011155615_100000210414 [0,3,0,0,0,0|0,0,1]=4 4161 B17R1.397341 COC(=O)c1cc(c(cc1O)O)NC(=O)CO 188690a_200011155615_100000210174 [0,3,0,0,0,0|0,0,1]=4 4162 B17R1.1392 CC(=O)Nc1cc(ccc1O)NCC(O)CO 34a_100000070259_100011219619 [0,3,0,0,0,0|1,0,0]=4 4163 B17R1.1392 CC(=O)Nc1cc(ccc1O)NCC(O)CO 7a_100000070259_100011219619 [0,3,0,0,0,0|1,0,0]=4 4164 B17R1.1392 CC(=O)Nc1cc(ccc1O)NC[C@@H](C)CO 34a_100000070259_100000059175 [0,3,0,0,0,0|1,0,0]=4 4165 B17R1.1392 CC(=O)Nc1cc(ccc1O)NC[C@@H](C)CO 7a_100000070259_100000059175 [0,3,0,0,0,0|1,0,0]=4 4166 B17R1.1392 CC(=O)Nc1cc(ccc1O)NC[C@@H](O)CF 34a_100000070259_100015614560 [0,3,0,0,0,0|1,0,0]=4 4167 B17R1.1392 CC(=O)Nc1cc(ccc1O)NC[C@@H](O)CF 7a_100000070259_100015614560 [0,3,0,0,0,0|1,0,0]=4 4168 B17R1.1392 CC(=O)Nc1cc(ccc1O)NC[C@@H](O)CO 34a_100000070259_100009815848 [0,3,0,0,0,0|1,0,0]=4 4169 B17R1.1392 CC(=O)Nc1cc(ccc1O)NC[C@@H](O)CO 7a_100000070259_100009815848 [0,3,0,0,0,0|1,0,0]=4 4170 B17R1.1392 CCC(=O)CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000747405 [0,3,0,0,0,0|1,0,0]=4 4171 B17R1.1392 CCC(C)CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000748023 [0,3,0,0,0,0|1,0,0]=4 4172 B17R1.1392 CCC(C)CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000748023 [0,3,0,0,0,0|1,0,0]=4 4173 B17R1.1392 CCC(O)CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100011218378 [0,3,0,0,0,0|1,0,0]=4 4174 B17R1.1392 CCC(O)CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100011218378 [0,3,0,0,0,0|1,0,0]=4 4175 B17R1.1392 CC[C@H](C)CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100009816398 [0,3,0,0,0,0|1,0,0]=4 4176 B17R1.1392 CC[C@H](C)CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100009816398 [0,3,0,0,0,0|1,0,0]=4 4177 B17R1.1392 CNC(=O)CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000183359 [0,3,0,0,0,0|1,0,0]=4 4178 B17R1.1392 CNC(=O)CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000183359 [0,3,0,0,0,0|1,0,0]=4 4179 B17R1.1392 COC(=O)CNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000747449 [0,3,0,0,0,0|1,0,0]=4 4180 B17R1.1392 COC(=O)CNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000747449 [0,3,0,0,0,0|1,0,0]=4 4181 B17R1.1392 COC(=O)CNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000747449 [0,3,0,0,0,0|1,0,0]=4 4182 B17R1.1392 COC(=O)CNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000747449 [0,3,0,0,0,0|1,0,0]=4 4183 B17R1.1392 COC(=O)CNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000747449 [0,3,0,0,0,0|1,0,0]=4 4184 B17R1.1392 COC(=O)CNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000747449 [0,3,0,0,0,0|1,0,0]=4 4185 B17R1.1392 COC(=O)CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000747449 [0,3,0,0,0,0|0,0,0]=3 4186 B17R1.1392 COC(=O)CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000747449 [0,3,0,0,0,0|0,0,0]=3 4187 B17R1.1392 COC(=O)COc1ccc(c(c1)NC(=O)C)Br 188690a_200010369463_100015343762 [0,3,0,0,0,0|1,0,0]=4 4188 B17R1.1392 COC(=O)CSc1ccc(c(c1)CC(=O)C)O 62a_100000747449_200010006938 [0,3,0,0,0,0|1,0,0]=4 4189 B17R1.1392 COC(=O)CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000747449 [0,3,0,0,0,0|1,0,0]=4 4190 B17R1.1392 COC(=O)CSc1ccc(c(c1)NC(=O)C)C 62a_100000747449_100011344836 [0,3,0,0,0,0|1,0,0]=4 4191 B17R1.1392 COC(=O)CSc1ccc(c(c1)NC(=O)C)F 62a_100000747449_200011951791 [0,3,0,0,0,0|1,0,0]=4 4192 B17R1.4666 C=C(C)CNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100000748629 [0,3,0,0,0,0|1,0,0]=4 4193 B17R1.4666 C=C(C)CNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100000748629 [0,3,0,0,0,0|1,0,0]=4 4194 B17R1.4666 C=C(C)CSc1ccc(c(c1)NC(=O)C)OC 62a_100000748629_200011407902 [0,3,0,0,0,0|1,0,0]=4 4195 B17R1.4666 COc1ccc(cc1NC(=O)C)NCC(C)C 34a_100000736378_100000210624 [0,3,0,0,0,0|1,0,0]=4 4196 B17R1.4666 COc1ccc(cc1NC(=O)C)NCC(C)C 7a_100000736378_100000210760 [0,3,0,0,0,0|1,0,0]=4 4197 B17R1.4666 COc1ccc(cc1NC(=O)C)NCC(C)O 34a_100000736378_100011218427 [0,3,0,0,0,0|1,0,0]=4 4198 B17R1.4666 COc1ccc(cc1NC(=O)C)NCC(C)O 7a_100000736378_100011218427 [0,3,0,0,0,0|1,0,0]=4 4199 B17R1.4666 COc1ccc(cc1NC(=O)C)NC[C@@H](C)O 34a_100000736378_100009817552 [0,3,0,0,0,0|1,0,0]=4 4200 B17R1.4666 COc1ccc(cc1NC(=O)C)NC[C@@H](C)O 7a_100000736378_100009817552 [0,3,0,0,0,0|1,0,0]=4 4201 B17R1.4666 COc1ccc(cc1NC(=O)C)SCC(C)C 62a_100000210624_200011407902 [0,3,0,0,0,0|1,0,0]=4 4202 B17R1.4666 COc1ccc(cc1NC(=O)C)SCC(C)O 62a_100011218427_200011407902 [0,3,0,0,0,0|1,0,0]=4 4203 B17R1.4666 COc1ccc(cc1NC(=O)C)SC[C@@H](C)O 62a_100009817552_200011407902 [0,3,0,0,0,0|1,0,0]=4 4204 B17R1.23658 CC(=O)Nc1cc(ccc1O)NCC(C)(C)C 34a_100000070259_100011219605 [0,3,0,0,0,0|1,0,0]=4 4205 B17R1.23658 CC(=O)Nc1cc(ccc1O)NCC(C)(C)F 34a_100000070259_100011997219 [0,3,0,0,0,0|1,0,0]=4 4206 B17R1.23658 CC(=O)Nc1cc(ccc1O)NCC(C)(C)O 34a_100000070259_100000764493 [0,3,0,0,0,0|1,0,0]=4 4207 B17R1.23658 CC(=O)Nc1cc(ccc1O)NCC(C)(C)O 7a_100000070259_100000764493 [0,3,0,0,0,0|1,0,0]=4 4208 B17R1.23658 CC(=O)Nc1cc(ccc1O)NC[Si](C)(C)C 7a_100000070259_100000233785 [0,3,0,0,0,0|1,0,0]=4 4209 B17R1.329 C#CCCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000695029 [0,3,0,0,0,0|1,0,0]=4 4210 B17R1.329 C#CCCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100011215417 [0,3,0,0,0,0|1,0,0]=4 4211 B17R1.329 C=CCCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000757094 [0,3,0,0,0,0|1,0,0]=4 4212 B17R1.329 C=CCCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000757094 [0,3,0,0,0,0|1,0,0]=4 4213 B17R1.329 C=COCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000039644 [0,3,0,0,0,0|0,0,1]=4 4214 B17R1.329 C=COCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000039644 [0,3,0,0,0,0|0,0,1]=4 4215 B17R1.329 CC(=O)Nc1cc(ccc1O)NCC#CCO 34a_100000070259_200000047223 [0,3,0,0,0,0|1,0,0]=4 4216 B17R1.329 CC(=O)Nc1cc(ccc1O)NCC#CCO 7a_100000070259_200000047223 [0,3,0,0,0,0|1,0,0]=4 4217 B17R1.329 CC(=O)Nc1cc(ccc1O)NCCCC#N 7a_100000070259_100000687738 [0,3,0,0,0,0|1,0,0]=4 4218 B17R1.329 CC(=O)Nc1cc(ccc1O)NCCCC=O 7a_100000070259_200011292268 [0,3,0,0,0,0|1,0,0]=4 4219 B17R1.329 CC(=O)Nc1cc(ccc1O)NCCCCF 34a_100000070259_100000729493 [0,3,0,0,0,0|1,0,0]=4 4220 B17R1.329 CC(=O)Nc1cc(ccc1O)NCCCCF 7a_100000070259_100000729493 [0,3,0,0,0,0|1,0,0]=4 4221 B17R1.329 CC(=O)Nc1cc(ccc1O)NCCCCO 34a_100000070259_100011216708 [0,3,0,0,0,0|1,0,0]=4 4222 B17R1.329 CC(=O)Nc1cc(ccc1O)NCCCCO 7a_100000070259_100000210776 [0,3,0,0,0,0|1,0,0]=4 4223 B17R1.329 CC/C=C\CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100103147603 [0,3,0,0,0,0|1,0,0]=4 4224 B17R1.329 CC/C=C\CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100103147603 [0,3,0,0,0,0|1,0,0]=4 4225 B17R1.329 CCC#CCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100009813939 [0,3,0,0,0,0|1,0,0]=4 4226 B17R1.329 CCC#CCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100009813939 [0,3,0,0,0,0|1,0,0]=4 4227 B17R1.329 CCCCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000718602 [0,3,0,0,0,0|1,0,0]=4 4228 B17R1.329 CCCCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000210326 [0,3,0,0,0,0|1,0,0]=4 4229 B17R1.329 CCOCCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000210147 [0,3,0,0,0,0|1,0,0]=4 4230 B17R1.329 CCOCCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100011215890 [0,3,0,0,0,0|1,0,0]=4 4231 B17R1.329 CCOCCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000210147 [0,3,0,0,0,0|1,0,0]=4 4232 B17R1.329 CCOCCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100011215890 [0,3,0,0,0,0|1,0,0]=4 4233 B17R1.329 CCOCCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000210147 [0,3,0,0,0,0|1,0,0]=4 4234 B17R1.329 CCOCCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100011215890 [0,3,0,0,0,0|1,0,0]=4 4235 B17R1.329 CCOCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000210147 [0,3,0,0,0,0|0,0,0]=3 4236 B17R1.329 CCOCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100011215890 [0,3,0,0,0,0|0,0,0]=3 4237 B17R1.329 CCOCCSc1ccc(c(c1)CC(=O)C)O 62a_100000210147_200010006938 [0,3,0,0,0,0|1,0,0]=4 4238 B17R1.329 CCOCCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100011215890 [0,3,0,0,0,0|1,0,0]=4 4239 B17R1.329 CCOCCSc1ccc(c(c1)NC(=O)C)C 62a_100000210147_100011344836 [0,3,0,0,0,0|1,0,0]=4 4240 B17R1.329 CCOCCSc1ccc(c(c1)NC(=O)C)F 62a_100000210147_200011951791 [0,3,0,0,0,0|1,0,0]=4 4241 B17R1.329 CCSCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000757381 [0,3,0,0,0,0|0,1,0]=4 4242 B17R1.329 CCSCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000757381 [0,3,0,0,0,0|0,1,0]=4 4243 B17R1.329 COCCCNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_100000740836 [0,3,0,0,0,0|1,0,0]=4 4244 B17R1.329 COCCCNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_100000740836 [0,3,0,0,0,0|1,0,0]=4 4245 B17R1.329 COCCCNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_100000740836 [0,3,0,0,0,0|1,0,0]=4 4246 B17R1.329 COCCCNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_100000740836 [0,3,0,0,0,0|1,0,0]=4 4247 B17R1.329 COCCCNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_100000740836 [0,3,0,0,0,0|1,0,0]=4 4248 B17R1.329 COCCCNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_100000740836 [0,3,0,0,0,0|1,0,0]=4 4249 B17R1.329 COCCCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000740836 [0,3,0,0,0,0|0,0,0]=3 4250 B17R1.329 COCCCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000740836 [0,3,0,0,0,0|0,0,0]=3 4251 B17R1.329 COCCCSc1ccc(c(c1)CC(=O)C)O 62a_100000709357_200010006938 [0,3,0,0,0,0|1,0,0]=4 4252 B17R1.329 COCCCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000709357 [0,3,0,0,0,0|1,0,0]=4 4253 B17R1.329 COCCCSc1ccc(c(c1)NC(=O)C)C 62a_100000709357_100011344836 [0,3,0,0,0,0|1,0,0]=4 4254 B17R1.329 COCCCSc1ccc(c(c1)NC(=O)C)F 62a_100000709357_200011951791 [0,3,0,0,0,0|1,0,0]=4 4255 B17R1.6382 CCOCSc1cc(c(cc1F)F)NC(=O)C 62a_100000739092_200013902858 [0,3,0,0,0,0|1,0,0]=4 4256 B17R1.6382 CCOCSc1cc(c(cc1F)F)NC(=O)C 62a_200013902858_100000739092 [0,3,0,0,0,0|1,0,0]=4 4257 B17R1.6382 COCC=Cc1cc(c(cc1F)F)NC(=O)C 271570a_100016286323_200013902858 [0,3,0,0,0,0|1,0,0]=4 4258 B17R1.6382 COCCOc1cc(c(cc1Cl)Cl)NC(=O)C 34a_200000039401_100011201679 [0,3,0,0,0,0|1,0,0]=4 4259 B17R1.6382 COCCOc1cc(c(cc1Cl)Cl)NC(=O)C 7a_200000039401_100000233755 [0,3,0,0,0,0|1,0,0]=4 4260 B17R1.6382 COCCSc1cc(c(cc1F)F)NC(=O)C 62a_100000233755_200013902858 [0,3,0,0,0,0|1,0,0]=4 4261 B17R1.6382 COCCSc1cc(c(cc1F)F)NC(=O)C 62a_200013902858_100000233755 [0,3,0,0,0,0|1,0,0]=4 4262 B17R1.23659 C=C(C)CCNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_100000730704 [0,3,0,0,0,0|1,0,0]=4 4263 B17R1.23659 C=C(C)CCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000730704 [0,3,0,0,0,0|1,0,0]=4 4264 B17R1.23659 CC(=O)CCNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_100000053229 [0,3,0,0,0,0|1,0,0]=4 4265 B17R1.23659 CC(=O)Cc1cc(ccc1O)SCOC(=O)C 62a_100000076356_200010006938 [0,3,0,0,0,0|1,0,0]=4 4266 B17R1.23659 CC(=O)Cc1cc(ccc1O)SCOC(=O)C 62a_200010006938_100000076356 [0,3,0,0,0,0|1,0,0]=4 4267 B17R1.23659 CC(=O)Cc1cc(ccc1O)SCOC(C)C 62a_100000709892_200010006938 [0,3,0,0,0,0|1,0,0]=4 4268 B17R1.23659 CC(=O)Cc1cc(ccc1O)SCOC(C)C 62a_200010006938_100000709892 [0,3,0,0,0,0|1,0,0]=4 4269 B17R1.23659 CC(=O)Nc1cc(ccc1C)NCOC(=O)C 34a_100000740626_100009813279 [0,3,0,0,0,0|1,0,0]=4 4270 B17R1.23659 CC(=O)Nc1cc(ccc1C)NCOC(C)C 34a_100000740626_100000709892 [0,3,0,0,0,0|1,0,0]=4 4271 B17R1.23659 CC(=O)Nc1cc(ccc1C)SCOC(=O)C 62a_100000076356_100011344836 [0,3,0,0,0,0|1,0,0]=4 4272 B17R1.23659 CC(=O)Nc1cc(ccc1C)SCOC(C)C 62a_100000709892_100011344836 [0,3,0,0,0,0|1,0,0]=4 4273 B17R1.23659 CC(=O)Nc1cc(ccc1Cl)NCOC(=O)C 34a_100000745429_100009813279 [0,3,0,0,0,0|1,0,0]=4 4274 B17R1.23659 CC(=O)Nc1cc(ccc1Cl)NCOC(C)C 34a_100000745429_100000709892 [0,3,0,0,0,0|1,0,0]=4 4275 B17R1.23659 CC(=O)Nc1cc(ccc1F)NCOC(=O)C 34a_100000736141_100009813279 [0,3,0,0,0,0|1,0,0]=4 4276 B17R1.23659 CC(=O)Nc1cc(ccc1F)NCOC(C)C 34a_100000736141_100000709892 [0,3,0,0,0,0|1,0,0]=4 4277 B17R1.23659 CC(=O)Nc1cc(ccc1F)SCOC(=O)C 62a_100000076356_200011951791 [0,3,0,0,0,0|1,0,0]=4 4278 B17R1.23659 CC(=O)Nc1cc(ccc1F)SCOC(C)C 62a_100000709892_200011951791 [0,3,0,0,0,0|1,0,0]=4 4279 B17R1.23659 CC(=O)Nc1cc(ccc1O)NCC=C(C)C 34a_100000070259_100000761012 [0,3,0,0,0,0|1,0,0]=4 4280 B17R1.23659 CC(=O)Nc1cc(ccc1O)NCC=C(C)C 7a_100000070259_100000761012 [0,3,0,0,0,0|1,0,0]=4 4281 B17R1.23659 CC(=O)Nc1cc(ccc1O)NCCC(C)C 34a_100000070259_100000210312 [0,3,0,0,0,0|1,0,0]=4 4282 B17R1.23659 CC(=O)Nc1cc(ccc1O)NCCC(C)C 7a_100000070259_100000210626 [0,3,0,0,0,0|1,0,0]=4 4283 B17R1.23659 CC(=O)Nc1cc(ccc1O)NCCC(C)O 34a_100000070259_100012276601 [0,3,0,0,0,0|1,0,0]=4 4284 B17R1.23659 CC(=O)Nc1cc(ccc1O)NCCC(C)O 7a_100000070259_100012276601 [0,3,0,0,0,0|1,0,0]=4 4285 B17R1.23659 CC(=O)Nc1cc(ccc1O)NCCN(C)C 7a_100000070259_100000755713 [0,3,0,0,0,0|1,0,0]=4 4286 B17R1.23659 CC(=O)Nc1cc(ccc1O)NCOC(=O)C 34a_100000070259_100009813279 [0,3,0,0,0,0|0,0,0]=3 4287 B17R1.23659 CC(=O)Nc1cc(ccc1O)NCOC(C)C 34a_100000070259_100000709892 [0,3,0,0,0,0|0,0,0]=3 4288 B17R1.29697 C/C=C/CNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100102629194 [0,3,0,0,0,0|1,0,0]=4 4289 B17R1.29697 C/C=C/CNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100102629194 [0,3,0,0,0,0|1,0,0]=4 4290 B17R1.29697 C/C=C/CSc1ccc(c(c1)NC(=O)C)OC 62a_100102629194_200011407902 [0,3,0,0,0,0|1,0,0]=4 4291 B17R1.29697 CC#CCNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100000748600 [0,3,0,0,0,0|1,0,0]=4 4292 B17R1.29697 CC#CCNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100000748600 [0,3,0,0,0,0|1,0,0]=4 4293 B17R1.29697 CC#CCSc1ccc(c(c1)NC(=O)C)OC 62a_100000748600_200011407902 [0,3,0,0,0,0|1,0,0]=4 4294 B17R1.29697 CC=CCNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100000070051 [0,3,0,0,0,0|1,0,0]=4 4295 B17R1.29697 CC=CCNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100000070051 [0,3,0,0,0,0|1,0,0]=4 4296 B17R1.29697 CC=CCSc1ccc(c(c1)NC(=O)C)OC 62a_100000070051_200011407902 [0,3,0,0,0,0|1,0,0]=4 4297 B17R1.29697 CCCC=Cc1ccc(c(c1)NC(=O)C)OC 271570a_100016258520_200011407902 [0,3,0,0,0,0|1,0,0]=4 4298 B17R1.29697 CCCCNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100000210210 [0,3,0,0,0,0|1,0,0]=4 4299 B17R1.29697 CCCCNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100000210211 [0,3,0,0,0,0|1,0,0]=4 4300 B17R1.29697 CCCCSc1ccc(c(c1)NC(=O)C)OC 62a_100000210211_200011407902 [0,3,0,0,0,0|1,0,0]=4 4301 B17R1.29697 CCOC=Cc1ccc(c(c1)NC(=O)C)OC 271570a_100016256518_200011407902 [0,3,0,0,0,0|0,0,1]=4 4302 B17R1.29697 CCOCSc1ccc(c(c1)CC(=O)C)OC 62a_200011493461_100000739092 [0,3,0,0,0,0|1,0,0]=4 4303 B17R1.29697 CCOCSc1ccc(c(c1)NC(=O)C)OC 62a_100000739092_200011407902 [0,3,0,0,0,0|0,0,0]=3 4304 B17R1.29697 COCC=Cc1ccc(c(c1)CC(=O)C)OC 271570a_100016286323_200011493461 [0,3,0,0,0,0|1,0,0]=4 4305 B17R1.29697 COCC=Cc1ccc(c(c1)NC(=O)C)OC 271570a_100016286323_200011407902 [0,3,0,0,0,0|0,0,0]=3 4306 B17R1.29697 COCC=Cc1ccc(c(c1)OC(=O)C)OC 271570a_100016286323_200011016479 [0,3,0,0,0,0|1,0,0]=4 4307 B17R1.29697 COCCNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_100011201679 [0,3,0,0,0,0|0,0,0]=3 4308 B17R1.29697 COCCNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_100000233755 [0,3,0,0,0,0|0,0,0]=3 4309 B17R1.29697 COCCSc1ccc(c(c1)CC(=O)C)OC 62a_200011493461_100000233755 [0,3,0,0,0,0|1,0,0]=4 4310 B17R1.29697 COCCSc1ccc(c(c1)NC(=O)C)OC 62a_100000233755_200011407902 [0,3,0,0,0,0|0,0,0]=3 4311 B17R1.29697 COc1ccc(cc1NC(=O)C)NCCCF 34a_100000736378_100011934791 [0,3,0,0,0,0|1,0,0]=4 4312 B17R1.29697 COc1ccc(cc1NC(=O)C)NCCCF 7a_100000736378_100011934791 [0,3,0,0,0,0|1,0,0]=4 4313 B17R1.29697 COc1ccc(cc1NC(=O)C)NCCCO 34a_100000736378_100000230001 [0,3,0,0,0,0|1,0,0]=4 4314 B17R1.29697 COc1ccc(cc1NC(=O)C)NCCCO 7a_100000736378_100011215043 [0,3,0,0,0,0|1,0,0]=4 4315 B17R1.29697 COc1ccc(cc1NC(=O)C)NCCSC 34a_100000736378_100000212216 [0,3,0,0,0,0|0,1,0]=4 4316 B17R1.29697 COc1ccc(cc1NC(=O)C)NCCSC 7a_100000736378_100000212216 [0,3,0,0,0,0|0,1,0]=4 4317 B17R1.29697 COc1ccc(cc1NC(=O)C)SCCCF 62a_100011934791_200011407902 [0,3,0,0,0,0|1,0,0]=4 4318 B17R1.29697 COc1ccc(cc1NC(=O)C)SCCCO 62a_100011215043_200011407902 [0,3,0,0,0,0|1,0,0]=4 4319 B17R1.29697 COc1ccc(cc1NC(=O)C)SCCSC 62a_100000212216_200011407902 [0,3,0,0,0,0|0,1,0]=4 4320 B17R1.29698 CCC(=O)Nc1cc(ccc1C)NCCOC 34a_200011193571_100011201679 [0,3,0,0,0,0|1,0,0]=4 4321 B17R1.29698 CCC(=O)Nc1cc(ccc1C)NCCOC 7a_200011193571_100000233755 [0,3,0,0,0,0|1,0,0]=4 4322 B17R1.29698 CCOCSc1ccc(c(c1)CC(=O)OC)O 62a_100000739092_100010185610 [0,3,0,0,0,0|1,0,0]=4 4323 B17R1.29698 CCOCSc1ccc(c(c1)CC(=O)OC)O 62a_100010185610_100000739092 [0,3,0,0,0,0|1,0,0]=4 4324 B17R1.29698 COCC=Cc1ccc(c(c1)CC(=O)OC)O 271570a_100016286323_100010185610 [0,3,0,0,0,0|1,0,0]=4 4325 B17R1.29698 COCCSc1ccc(c(c1)CC(=O)OC)O 62a_100000233755_100010185610 [0,3,0,0,0,0|1,0,0]=4 4326 B17R1.29698 COCCSc1ccc(c(c1)CC(=O)OC)O 62a_100010185610_100000233755 [0,3,0,0,0,0|1,0,0]=4 4327 B17R1.47099 COCCNc1ccc(c(c1F)NC(=O)C)F 34a_100009824841_100011201679 [0,3,0,0,0,0|1,0,0]=4 4328 B17R1.134261 COCSc1cc(c(cc1F)OC)OC(=O)C 62a_100000766300_206258170532 [0,3,0,0,0,0|1,0,0]=4 4329 B17R1.25945 COCSc1ccc(c(c1)CC(=O)OC)OC 62a_100012362489_100000766300 [0,3,0,0,0,0|1,0,0]=4 4330 B17R1.64930 CCC(=O)Nc1c(ccc(c1C)OCOC)C 11a_100154351052_100000210414 [0,3,0,0,0,0|1,0,0]=4 4331 B17R1.64930 CCC(=O)Nc1c(ccc(c1C)OCOC)C 1626a_100154351052_100000210414 [0,3,0,0,0,0|1,0,0]=4 4332 B17R1.64930 CCC(=O)Nc1c(ccc(c1C)OCOC)C 22a_100154351052_100000210414 [0,3,0,0,0,0|1,0,0]=4 4333 B17R1.64930 CCC(=O)Nc1c(ccc(c1C)OCOC)C 527a_100154351052_100000210414 [0,3,0,0,0,0|1,0,0]=4 4334 B17R1.64930 CNC(=O)Nc1c(ccc(c1C)OCOC)C 2430a_100154351052_100102657272 [0,3,0,0,0,0|1,0,0]=4 4335 B17R1.64930 CNC(=O)Nc1c(ccc(c1C)OCOC)C 512a_106832991638_100154351052 [0,3,0,0,0,0|1,0,0]=4 4336 B17R1.64930 COCOc1ccc(c(c1C)NC(=O)CO)C 22a_100154351052_100000210174 [0,3,0,0,0,0|1,0,0]=4 4337 B17R1.64930 COCOc1ccc(c(c1C)NC(=O)CO)C 527a_100154351052_100000210174 [0,3,0,0,0,0|1,0,0]=4 4338 B17R1.4892 C#CCCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000692101 [0,3,0,0,0,0|1,0,0]=4 4339 B17R1.4892 C#CCCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000692101 [0,3,0,0,0,0|1,0,0]=4 4340 B17R1.4892 C#CCNC(=O)Nc1cc(ccc1Br)COC 2430a_200013033220_100000212058 [0,3,0,0,0,0|1,0,0]=4 4341 B17R1.4892 C=CCCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000749702 [0,3,0,0,0,0|1,0,0]=4 4342 B17R1.4892 C=CCCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000749702 [0,3,0,0,0,0|1,0,0]=4 4343 B17R1.4892 C=CCNC(=O)Nc1cc(ccc1Br)COC 2430a_200013033220_100020586998 [0,3,0,0,0,0|1,0,0]=4 4344 B17R1.4892 CC=CCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100121576822 [0,3,0,0,0,0|1,0,0]=4 4345 B17R1.4892 CC=CCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100121576822 [0,3,0,0,0,0|1,0,0]=4 4346 B17R1.4892 CCC=CC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000212282 [0,3,0,0,0,0|1,0,0]=4 4347 B17R1.4892 CCC=CC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000212282 [0,3,0,0,0,0|1,0,0]=4 4348 B17R1.4892 CCCCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000210183 [0,3,0,0,0,0|1,0,0]=4 4349 B17R1.4892 CCCCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000210183 [0,3,0,0,0,0|1,0,0]=4 4350 B17R1.4892 CCCNC(=O)Nc1cc(ccc1Br)COC 2430a_200013033220_100020643023 [0,3,0,0,0,0|1,0,0]=4 4351 B17R1.4892 CCOCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000211967 [0,3,0,0,0,0|1,0,0]=4 4352 B17R1.4892 CCOCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000211967 [0,3,0,0,0,0|1,0,0]=4 4353 B17R1.4892 CCSCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000230394 [0,3,0,0,0,0|1,0,0]=4 4354 B17R1.4892 CCSCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000230394 [0,3,0,0,0,0|1,0,0]=4 4355 B17R1.4892 COC=CC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100016268678 [0,3,0,0,0,0|1,0,0]=4 4356 B17R1.4892 COCCC(=O)Nc1cc(ccc1Br)COC 11a_200013033220_100000749529 [0,3,0,0,0,0|1,0,0]=4 4357 B17R1.4892 COCCC(=O)Nc1cc(ccc1Br)COC 1626a_200013033220_100000749529 [0,3,0,0,0,0|1,0,0]=4 4358 B17R1.4892 COCc1ccc(c(c1)NC(=O)CCC#N)Br 11a_200013033220_100011934036 [0,3,0,0,0,0|1,0,0]=4 4359 B17R1.4892 COCc1ccc(c(c1)NC(=O)CCC#N)Br 1626a_200013033220_100011934036 [0,3,0,0,0,0|1,0,0]=4 4360 B17R1.4892 COCc1ccc(c(c1)NC(=O)CCSC)Br 11a_200013033220_100000174002 [0,3,0,0,0,0|1,0,0]=4 4361 B17R1.4892 COCc1ccc(c(c1)NC(=O)CCSC)Br 1626a_200013033220_100000174002 [0,3,0,0,0,0|1,0,0]=4 4362 B17R1.4892 COCc1ccc(c(c1)NC(=O)CN=[N+]=[N-])Br 11a_200013033220_100000751907 [0,3,0,0,0,0|1,0,0]=4 4363 B17R1.4892 COCc1ccc(c(c1)NC(=O)NCC#N)Br 2430a_200013033220_100000734998 [0,3,0,0,0,0|1,0,0]=4 4364 B17R1.4892 COCc1ccc(c(c1)NC(=O)NCCF)Br 2430a_200013033220_100000724931 [0,3,0,0,0,0|1,0,0]=4 4365 B17R1.4892 COCc1ccc(c(c1)NC(=O)NCCO)Br 2430a_200013033220_100000210304 [0,3,0,0,0,0|1,0,0]=4 4366 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [1,0,1,1,0,0|0,0,1]=4 4367 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [1,0,1,1,0,0|0,0,1]=4 4368 B13R1.2135 COc1cccc(c1NC(=O)C)O 22a_100012022766_100000070787 [1,0,1,1,0,0|0,0,1]=4 4369 B13R1.2135 COc1cccc(c1NC(=O)C)O 527a_100012022766_100103153847 [1,0,1,1,0,0|0,0,1]=4 4370 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,0,1,1,1,0|1,0,0]=4 4371 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,0,1,1,1,0|1,0,0]=4 4372 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,0,1,1,1,0|1,0,0]=4 4373 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,0,1,1,1,0|1,0,0]=4 4374 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,0,1,1,1,0|1,0,0]=4 4375 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,0,1,1,1,0|1,0,0]=4 4376 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,0,1,1,1,0|1,0,0]=4 4377 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,0,1,1,1,0|1,0,0]=4 4378 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,0,1,1,1,0|1,0,0]=4 4379 B13R1.8919 COCC=Cc1c(cccc1O)C 271570a_100016286323_100000686692 [0,0,1,1,1,0|1,0,0]=4 4380 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 34a_100000192217_200025704644 [0,0,1,1,1,0|1,0,0]=4 4381 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 7a_100000192217_200025704644 [0,0,1,1,1,0|1,0,0]=4 4382 B13R1.380 COCc1ccccc1NC(=O)C 34a_100000192217_200000210301 [0,0,1,1,1,0|1,0,0]=4 4383 B13R1.380 COCc1ccccc1NC(=O)C 7a_100000192217_200000210301 [0,0,1,1,1,0|1,0,0]=4 4384 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [2,0,0,1,0,0|1,0,0]=4 4385 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [2,0,0,1,0,0|0,0,0]=3 4386 B13R2.155 O=C1COc2ccc(nc2N1)O 271570a_203496583355_100010235088 [2,0,0,1,0,0|1,0,0]=4 4387 B13R2.155 O=C1COc2ncc(cc2N1)O 271570a_203496583355_100000699640 [2,0,0,1,0,0|1,0,0]=4 4388 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [2,0,0,1,0,0|0,1,0]=4 4389 B13R2.5139 O=C1Cc2c(ccc(c2N1)F)O 271570a_203496583355_100012355367 [2,0,0,1,0,0|1,0,0]=4 4390 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [2,0,0,1,0,0|0,0,1]=4 4391 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [2,0,0,1,0,0|0,0,1]=4 4392 B13R2.611 COc1ccc(c2c1cc[nH]2)O 271570a_203496583355_100010138376 [2,0,0,1,0,0|0,0,1]=4 4393 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [2,0,0,1,0,0|1,0,0]=4 4394 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [2,0,0,1,0,0|1,0,0]=4 4395 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [2,0,0,1,0,0|1,0,0]=4 4396 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [2,0,0,1,0,0|0,0,1]=4 4397 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [2,0,0,1,0,0|0,0,1]=4 4398 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [2,0,0,1,0,0|1,0,0]=4 4399 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [2,0,0,1,0,0|0,0,1]=4 4400 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [2,0,0,1,0,0|0,0,1]=4 4401 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [2,0,0,1,0,0|1,0,0]=4 4402 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [2,0,0,1,0,0|1,0,0]=4 4403 B13R2.581 COc1cccc2c1cc([nH]2)C 34a_200000059750_200000210301 [2,0,0,1,0,0|1,0,0]=4 4404 B13R2.581 CSc1cccc2c1CC(=O)N2 62a_200000210301_100009816812 [2,0,0,1,0,0|0,1,0]=4 4405 B13R2.581 Cc1cc2c(cccc2[nH]1)O[13CH3] 34a_200000059750_200025704644 [2,0,0,1,0,0|1,0,0]=4 4406 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)N2 62a_200025704644_100009816812 [2,0,0,1,0,0|0,1,0]=4 4407 B13R2.292 CC=Cc1cccc2c1COC2 271570a_100016259895_100010384907 [2,0,0,1,0,0|1,0,0]=4 4408 B13R2.292 CCNc1cccc2c1COC2 2230a_100000125316_100000210202 [2,0,0,1,0,0|0,0,1]=4 4409 B13R2.292 CCNc1cccc2c1COC2 34a_100000125316_100000210202 [2,0,0,1,0,0|0,0,1]=4 4410 B13R2.449 CC=Cc1ccc2c(c1)COC2 271570a_100016259895_100000698232 [2,0,0,1,0,0|1,0,0]=4 4411 B13R2.449 CCNc1ccc2c(c1)COC2 2230a_100011728444_100000210202 [2,0,0,1,0,0|0,0,1]=4 4412 B13R2.449 CCNc1ccc2c(c1)COC2 34a_100011728444_100000210202 [2,0,0,1,0,0|0,0,1]=4 4413 B13R2.449 COCc1ccc2c(c1)NCC2 34a_100000694088_200000210301 [2,0,0,1,0,0|0,0,1]=4 4414 B13R2.449 [13CH3]OCc1ccc2c(c1)NCC2 34a_100000694088_200025704644 [2,0,0,1,0,0|0,0,1]=4 4415 B13R2.2461 O=Cc1cc(ccc1O)C2CC2 271570a_100011220607_100000186750 [2,0,0,1,0,0|1,0,0]=4 4416 B13R2.669 COc1ccc2c(c1)C(=O)CC2 34a_100009827925_200000210301 [1,0,0,1,1,0|1,0,0]=4 4417 B13R2.669 COc1ccc2c(c1)C(=O)CC2 7a_100009827925_200000210301 [1,0,0,1,1,0|1,0,0]=4 4418 B13R2.669 CSc1ccc2c(c1)C(=O)CO2 62a_200000210301_100000752586 [1,0,0,1,1,0|0,1,0]=4 4419 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 34a_100009827925_200025704644 [1,0,0,1,1,0|1,0,0]=4 4420 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 7a_100009827925_200025704644 [1,0,0,1,1,0|1,0,0]=4 4421 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CO2 62a_200025704644_100000752586 [1,0,0,1,1,0|0,1,0]=4 4422 B13R2.429 CC(=O)c1cccc(c1)C2CC2 1458a_100011260452_200000210301 [1,0,0,1,1,0|1,0,0]=4 4423 B13R2.429 CC(=O)c1cccc(c1)C2CC2 271570a_100011220607_100000210093 [1,0,0,1,1,0|1,0,0]=4 4424 B13R2.429 [13CH3]C(=O)c1cccc(c1)C2CC2 1458a_100011260452_200025704644 [1,0,0,1,1,0|1,0,0]=4 4425 B13R2.430 C=C(C)c1ccc2c(c1)COC2 271570a_100000694244_100000698232 [1,0,0,1,1,0|1,0,0]=4 4426 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [1,0,0,1,1,0|1,0,0]=4 4427 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [1,0,0,1,1,0|1,0,0]=4 4428 B13R2.5569 C=C(C)c1cccc2c1COC2 271570a_100000694244_100010384907 [1,0,0,1,1,0|1,0,0]=4 4429 B13R2.5569 CC(=O)c1cccc2c1CCC2 1458a_100000051556_200000210301 [1,0,0,1,1,0|1,0,0]=4 4430 B13R2.5569 [13CH3]C(=O)c1cccc2c1CCC2 1458a_100000051556_200025704644 [1,0,0,1,1,0|1,0,0]=4 4431 B15R1.1157 COCC=Cc1cc(ccc1O)C(=O)C 271570a_100016286323_100011772453 [0,0,1,1,0,1|1,0,0]=4 4432 B15R1.1159 COCC=Cc1cc(ccc1C(=O)C)O 271570a_100016286323_100012340537 [0,0,1,1,0,1|1,0,0]=4 4433 B15R2.4834 COc1ccc2c(c1)CN(C2)C(=O)C 11a_100000051402_100015343762 [1,0,0,1,0,1|1,0,0]=4 4434 B15R2.4834 COc1ccc2c(c1)CN(C2)C(=O)C 1626a_100000051402_100015343762 [1,0,0,1,0,1|1,0,0]=4 4435 B15R2.4834 COc1ccc2c(c1)CN(C2)C(=O)C 240690a_100000051402_100015343762 [1,0,0,1,0,1|1,0,0]=4 4436 B15R2.4834 COc1ccc2c(c1)CN(C2)C(=O)C 527a_100000051402_100103153847 [1,0,0,1,0,1|1,0,0]=4 4437 B15R2.7687 CC(=O)NCc1cccc(c1)C2CC2 11a_100011688845_100015343762 [1,0,0,1,0,1|1,0,0]=4 4438 B15R2.7687 CC(=O)NCc1cccc(c1)C2CC2 1626a_100011688845_100015343762 [1,0,0,1,0,1|1,0,0]=4 4439 B15R2.7687 CC(=O)NCc1cccc(c1)C2CC2 240690a_100011688845_100015343762 [1,0,0,1,0,1|1,0,0]=4 4440 B15R2.7687 CC(=O)NCc1cccc(c1)C2CC2 271570a_100011220607_100000766983 [1,0,0,1,0,1|1,0,0]=4 4441 B15R2.7687 CC(=O)NCc1cccc(c1)C2CC2 527a_100011688845_100103153847 [1,0,0,1,0,1|1,0,0]=4 4442 B15R2.7174 C=C(C)c1ccc2c(c1)NC(=O)CO2 271570a_100000694244_100000244627 [1,1,0,1,0,0|0,0,1]=4 4443 B15R2.7174 CC(=O)c1ccc2c(c1)NC(=O)CO2 1458a_100000187493_200000210301 [1,1,0,1,0,0|0,0,1]=4 4444 B15R2.7174 [13CH3]C(=O)c1ccc2c(c1)NC(=O)CO2 1458a_100000187493_200025704644 [1,1,0,1,0,0|0,0,1]=4 4445 B15R2.4807 CN1C(=O)COc2c1cc(cc2)N[13CH3] 2230a_100000765360_200025704644 [1,1,0,1,0,0|1,0,0]=4 4446 B15R2.4807 CN1C(=O)COc2c1cc(cc2)N[13CH3] 34a_100000765360_200025704644 [1,1,0,1,0,0|1,0,0]=4 4447 B15R2.4807 CN1C(=O)COc2c1cc(cc2)S[13CH3] 62a_100010196913_200025704644 [1,1,0,1,0,0|0,1,0]=4 4448 B15R2.4807 CNc1ccc2c(c1)N(C(=O)CO2)C 2230a_100000765360_200000210301 [1,1,0,1,0,0|1,0,0]=4 4449 B15R2.4807 CNc1ccc2c(c1)N(C(=O)CO2)C 34a_100000765360_200000210301 [1,1,0,1,0,0|1,0,0]=4 4450 B15R2.4807 CSc1ccc2c(c1)N(C(=O)CO2)C 62a_100010196913_200000210301 [1,1,0,1,0,0|0,1,0]=4 4451 B15R2.21336 CC1Oc2ccc(cc2NC1=O)S[13CH3] 62a_200025704644_100000745501 [1,1,0,1,0,0|0,1,0]=4 4452 B15R2.21336 CSc1ccc2c(c1)NC(=O)C(O2)C 62a_200000210301_100000745501 [1,1,0,1,0,0|0,1,0]=4 4453 B15R2.6872 CC(=O)Nc1cc(cc(c1)C2CC2)F 11a_102516457065_100015343762 [1,1,0,1,0,0|1,0,0]=4 4454 B15R2.6872 CC(=O)Nc1cc(cc(c1)C2CC2)F 1626a_102516457065_100015343762 [1,1,0,1,0,0|1,0,0]=4 4455 B15R2.6872 CC(=O)Nc1cc(cc(c1)C2CC2)F 22a_102516457065_100000070787 [1,1,0,1,0,0|1,0,0]=4 4456 B15R2.6872 CC(=O)Nc1cc(cc(c1)C2CC2)F 527a_102516457065_100103153847 [1,1,0,1,0,0|1,0,0]=4 4457 B15R2.29021 CS(=O)(=O)Nc1cccc2c1COC2 40a_100000125316_100000738038 [1,1,0,1,0,0|1,0,0]=4 4458 B15R2.42998 CS(=O)(=O)Nc1ccc2c(c1)COC2 40a_100011728444_100000738038 [1,1,0,1,0,0|1,0,0]=4 4459 B15R2.4342 CCC(=O)Nc1cccc(c1)C2CC2 11a_100025755985_100000210414 [1,1,0,1,0,0|1,0,0]=4 4460 B15R2.4342 CCC(=O)Nc1cccc(c1)C2CC2 1626a_100025755985_100000210414 [1,1,0,1,0,0|1,0,0]=4 4461 B15R2.4342 CCC(=O)Nc1cccc(c1)C2CC2 22a_100025755985_100000210414 [1,1,0,1,0,0|1,0,0]=4 4462 B15R2.4342 CCC(=O)Nc1cccc(c1)C2CC2 527a_100025755985_100000210414 [1,1,0,1,0,0|1,0,0]=4 4463 B15R2.4342 CNC(=O)Nc1cccc(c1)C2CC2 2430a_100025755985_100102657272 [1,1,0,1,0,0|1,0,0]=4 4464 B15R2.4342 CNC(=O)Nc1cccc(c1)C2CC2 512a_100025755985_100102657272 [1,1,0,1,0,0|1,0,0]=4 4465 B15R2.4342 O=C(CO)Nc1cccc(c1)C2CC2 22a_100025755985_100000210174 [1,1,0,1,0,0|1,0,0]=4 4466 B15R2.4342 O=C(CO)Nc1cccc(c1)C2CC2 527a_100025755985_100000210174 [1,1,0,1,0,0|1,0,0]=4 4467 B15R2.4343 C=CC(=O)Nc1ccc2c(c1)COC2 1626a_100011728444_100000185746 [1,1,0,1,0,0|0,0,1]=4 4468 B15R2.4343 C=CC(=O)Nc1ccc2c(c1)COC2 22a_100011728444_100000185746 [1,1,0,1,0,0|0,0,1]=4 4469 B15R2.4343 CCC(=O)Nc1ccc2c(c1)CCC2 11a_100000211504_100000210414 [1,1,0,1,0,0|1,0,0]=4 4470 B15R2.4343 CCC(=O)Nc1ccc2c(c1)CCC2 1626a_100000211504_100000210414 [1,1,0,1,0,0|1,0,0]=4 4471 B15R2.4343 CCC(=O)Nc1ccc2c(c1)CCC2 22a_100000211504_100000210414 [1,1,0,1,0,0|1,0,0]=4 4472 B15R2.4343 CCC(=O)Nc1ccc2c(c1)CCC2 527a_100000211504_100000210414 [1,1,0,1,0,0|1,0,0]=4 4473 B15R2.4343 CCC(=O)Nc1ccc2c(c1)COC2 11a_100011728444_100000210414 [1,1,0,1,0,0|0,0,0]=3 4474 B15R2.4343 CCC(=O)Nc1ccc2c(c1)COC2 1626a_100011728444_100000210414 [1,1,0,1,0,0|0,0,0]=3 4475 B15R2.4343 CCC(=O)Nc1ccc2c(c1)COC2 22a_100011728444_100000210414 [1,1,0,1,0,0|0,0,0]=3 4476 B15R2.4343 CCC(=O)Nc1ccc2c(c1)COC2 527a_100011728444_100000210414 [1,1,0,1,0,0|0,0,0]=3 4477 B15R2.4343 CNC(=O)Nc1ccc2c(c1)CCC2 2430a_100000211504_100102657272 [1,1,0,1,0,0|1,0,0]=4 4478 B15R2.4343 CNC(=O)Nc1ccc2c(c1)COC2 2430a_100011728444_100102657272 [1,1,0,1,0,0|0,0,0]=3 4479 B15R2.4343 CNC(=O)Nc1ccc2c(c1)COC2 512a_100011728444_100102657272 [1,1,0,1,0,0|0,0,0]=3 4480 B15R2.4343 O=C(CO)Nc1ccc2c(c1)CCC2 22a_100000211504_100000210174 [1,1,0,1,0,0|1,0,0]=4 4481 B15R2.4343 O=C(CO)Nc1ccc2c(c1)CCC2 527a_100000211504_100000210174 [1,1,0,1,0,0|1,0,0]=4 4482 B15R2.4343 O=C(CO)Nc1ccc2c(c1)COC2 22a_100011728444_100000210174 [1,1,0,1,0,0|0,0,0]=3 4483 B15R2.4343 O=C(CO)Nc1ccc2c(c1)COC2 527a_100011728444_100000210174 [1,1,0,1,0,0|0,0,0]=3 4484 B15R2.19139 C=CC(=O)Nc1cccc2c1COC2 1626a_100000125316_100000185746 [1,1,0,1,0,0|0,0,1]=4 4485 B15R2.19139 C=CC(=O)Nc1cccc2c1COC2 22a_100000125316_100000185746 [1,1,0,1,0,0|0,0,1]=4 4486 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 11a_100000043548_100000210414 [1,1,0,1,0,0|1,0,0]=4 4487 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100000210414 [1,1,0,1,0,0|1,0,0]=4 4488 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000210414 [1,1,0,1,0,0|1,0,0]=4 4489 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 527a_100000043548_100000210414 [1,1,0,1,0,0|1,0,0]=4 4490 B15R2.19139 CCC(=O)Nc1cccc2c1COC2 11a_100000125316_100000210414 [1,1,0,1,0,0|0,0,0]=3 4491 B15R2.19139 CCC(=O)Nc1cccc2c1COC2 1626a_100000125316_100000210414 [1,1,0,1,0,0|0,0,0]=3 4492 B15R2.19139 CCC(=O)Nc1cccc2c1COC2 22a_100000125316_100000210414 [1,1,0,1,0,0|0,0,0]=3 4493 B15R2.19139 CCC(=O)Nc1cccc2c1COC2 527a_100000125316_100000210414 [1,1,0,1,0,0|0,0,0]=3 4494 B15R2.19139 CNC(=O)Nc1cccc2c1CCC2 2430a_100000043548_100102657272 [1,1,0,1,0,0|1,0,0]=4 4495 B15R2.19139 CNC(=O)Nc1cccc2c1COC2 2430a_100000125316_100102657272 [1,1,0,1,0,0|0,0,0]=3 4496 B15R2.19139 CNC(=O)Nc1cccc2c1COC2 512a_100000125316_100102657272 [1,1,0,1,0,0|0,0,0]=3 4497 B15R2.19139 O=C(CO)Nc1cccc2c1CCC2 22a_100000043548_100000210174 [1,1,0,1,0,0|1,0,0]=4 4498 B15R2.19139 O=C(CO)Nc1cccc2c1CCC2 527a_100000043548_100000210174 [1,1,0,1,0,0|1,0,0]=4 4499 B15R2.19139 O=C(CO)Nc1cccc2c1COC2 22a_100000125316_100000210174 [1,1,0,1,0,0|0,0,0]=3 4500 B15R2.19139 O=C(CO)Nc1cccc2c1COC2 527a_100000125316_100000210174 [1,1,0,1,0,0|0,0,0]=3 4501 B15R2.1106 CC(=O)Nc1cccc2c1OC(C2)C 11a_100000124160_100015343762 [1,1,0,1,0,0|1,0,0]=4 4502 B15R2.1106 CC(=O)Nc1cccc2c1OC(C2)C 1626a_100000124160_100015343762 [1,1,0,1,0,0|1,0,0]=4 4503 B15R2.1106 CC(=O)Nc1cccc2c1OC(C2)C 22a_100000124160_100000070787 [1,1,0,1,0,0|1,0,0]=4 4504 B15R2.1106 CC(=O)Nc1cccc2c1OC(C2)C 527a_100000124160_100103153847 [1,1,0,1,0,0|1,0,0]=4 4505 B15R2.45371 CC(=O)Nc1cccc(c1F)C2CC2 11a_102516457095_100015343762 [1,1,0,1,0,0|1,0,0]=4 4506 B15R2.45371 CC(=O)Nc1cccc(c1F)C2CC2 1626a_102516457095_100015343762 [1,1,0,1,0,0|1,0,0]=4 4507 B15R2.45371 CC(=O)Nc1cccc(c1F)C2CC2 22a_102516457095_100000070787 [1,1,0,1,0,0|1,0,0]=4 4508 B15R2.45371 CC(=O)Nc1cccc(c1F)C2CC2 527a_102516457095_100103153847 [1,1,0,1,0,0|1,0,0]=4 4509 B15R2.4238 CC(=O)N(C)c1cccc(c1)C2CC2 11a_200009885028_100015343762 [1,1,0,1,0,0|1,0,0]=4 4510 B15R2.4238 CC(=O)N(C)c1cccc(c1)C2CC2 1626a_200009885028_100015343762 [1,1,0,1,0,0|1,0,0]=4 4511 B15R2.4238 CC(=O)N(C)c1cccc(c1)C2CC2 22a_200009885028_100000070787 [1,1,0,1,0,0|1,0,0]=4 4512 B15R2.4238 CC(=O)N(C)c1cccc(c1)C2CC2 527a_200009885028_100103153847 [1,1,0,1,0,0|1,0,0]=4 4513 B15R2.352 COCSc1ccc2c(c1)NCCO2 62a_100000766300_100000708519 [1,1,0,1,0,0|0,0,1]=4 4514 B15R2.1393 CCCCc1ccc2c(c1)C(=O)CO2 271570a_100020621405_100000752586 [0,1,0,1,1,0|1,0,0]=4 4515 B15R2.1393 CCCSc1ccc2c(c1)C(=O)CO2 62a_100000210303_100000752586 [0,1,0,1,1,0|1,0,0]=4 4516 B15R2.1393 COCSc1ccc2c(c1)C(=O)CC2 62a_100000759401_100000766300 [0,1,0,1,1,0|1,0,0]=4 4517 B15R2.1393 COCSc1ccc2c(c1)C(=O)CC2 62a_100000766300_100000759401 [0,1,0,1,1,0|1,0,0]=4 4518 B15R2.1393 COCSc1ccc2c(c1)C(=O)CO2 62a_100000766300_100000752586 [0,1,0,1,1,0|0,0,0]=3 4519 B15R2.1393 COCSc1ccc2o[nH]c(=O)c2c1 62a_100000766300_100000732257 [0,1,0,1,1,0|1,0,0]=4 4520 B15R2.1393 COCSc1ccc2occ(c2c1)C 62a_100000766300_100000728893 [0,1,0,1,1,0|1,0,0]=4 4521 B15R2.1393 COCSc1ccc2onc(c2c1)C 62a_100000766300_100010196875 [0,1,0,1,1,0|1,0,0]=4 4522 B15R2.1393 COCSc1ccc2onc(c2c1)C 62a_100010196875_100000766300 [0,1,0,1,1,0|1,0,0]=4 4523 B15R2.1393 CSCSc1ccc2c(c1)C(=O)CO2 62a_100011218213_100000752586 [0,1,0,1,1,0|0,1,0]=4 4524 B15R2.15602 CC(=O)c1cc(c(cc1O)C)C2CC2 271570a_100011220607_200010233951 [0,1,0,1,1,0|1,0,0]=4 4525 B15R2.15602 CC(=O)c1cc(c(cc1O)F)C2CC2 271570a_100011220607_100000691652 [0,1,0,1,1,0|1,0,0]=4 4526 B15R2.4327 COc1ccc(cc1C(=O)C)C2CC2 271570a_100011220607_100000173343 [0,1,0,1,1,0|1,0,0]=4 4527 B15R3.845 O=C1Cc2c(cccc2C3CC3)N1 271570a_100011220607_100009816812 [1,0,0,2,0,0|1,0,0]=4 4528 B15R3.530 O=C1Cc2ccc(cc2N1)C3CC3 271570a_100011220607_100000760487 [1,0,0,2,0,0|1,0,0]=4 4529 B15R3.60995 O=C1COc2c1cc(cc2)C3CC3 271570a_100011220607_100000752586 [0,0,0,2,1,0|1,0,0]=4 4530 B17R2.47730 COCc1ccc(c(c1)NC2CCC2=O)Br 34a_200013033220_100009892977 [0,1,0,1,0,1|1,0,0]=4 4531 B17R2.1199 COc1cc2c(cc1CNC(=O)C)CCC2 11a_106741647551_100015343762 [0,1,0,1,0,1|1,0,0]=4 4532 B17R2.1199 COc1cc2c(cc1CNC(=O)C)CCC2 1626a_106741647551_100015343762 [0,1,0,1,0,1|1,0,0]=4 4533 B17R2.1199 COc1cc2c(cc1CNC(=O)C)CCC2 240690a_106741647551_100015343762 [0,1,0,1,0,1|1,0,0]=4 4534 B17R2.1199 COc1cc2c(cc1CNC(=O)C)CCC2 527a_106741647551_100103153847 [0,1,0,1,0,1|1,0,0]=4 4535 B17R2.59666 COCSc1ccc2c(c1)CN(C2)C(=O)C 62a_200015237658_100000766300 [0,1,0,1,0,1|1,0,0]=4 4536 B17R2.59666 COCSc1ccc2oc(cc2c1)C(=O)C 62a_100000766300_100000181247 [0,1,0,1,0,1|1,0,0]=4 4537 B17R2.87297 COc1ccc(cc1NC(=O)C)NC2CC2 34a_100000736378_100000211595 [0,2,0,1,0,0|1,0,0]=4 4538 B17R2.9611 CCC(C)Nc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000758301 [0,2,0,1,0,0|1,0,0]=4 4539 B17R2.9611 CCC(C)Oc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100011215416 [0,2,0,1,0,0|1,0,0]=4 4540 B17R2.9611 COC(C)Sc1ccc2c(c1)NC(=O)CC2 62a_100000763451_100009879195 [0,2,0,1,0,0|1,0,0]=4 4541 B17R2.9611 COC(C)Sc1ccc2c(c1)NC(=O)CC2 62a_100009879195_100000763451 [0,2,0,1,0,0|1,0,0]=4 4542 B17R2.9611 COC(C)Sc1cnc2c(c1)NC(=O)CO2 62a_100009879195_100000699640 [0,2,0,1,0,0|1,0,0]=4 4543 B17R2.347142 CC(=O)Cc1cc(ccc1O)SC2COC2 62a_200010006938_100009818527 [0,2,0,1,0,0|1,0,0]=4 4544 B17R2.347142 CC(=O)Nc1cc(ccc1C)NC2COC2 34a_100000740626_100009818527 [0,2,0,1,0,0|1,0,0]=4 4545 B17R2.347142 CC(=O)Nc1cc(ccc1C)NC2COC2 7a_100000740626_100009818527 [0,2,0,1,0,0|1,0,0]=4 4546 B17R2.347142 CC(=O)Nc1cc(ccc1Cl)NC2COC2 34a_100000745429_100009818527 [0,2,0,1,0,0|1,0,0]=4 4547 B17R2.347142 CC(=O)Nc1cc(ccc1Cl)NC2COC2 7a_100000745429_100009818527 [0,2,0,1,0,0|1,0,0]=4 4548 B17R2.347142 CC(=O)Nc1cc(ccc1F)NC2COC2 34a_100000736141_100009818527 [0,2,0,1,0,0|1,0,0]=4 4549 B17R2.347142 CC(=O)Nc1cc(ccc1F)NC2COC2 7a_100000736141_100009818527 [0,2,0,1,0,0|1,0,0]=4 4550 B17R2.347142 CC(=O)Nc1cc(ccc1O)NC2CCC2 34a_100000070259_100000749161 [0,2,0,1,0,0|1,0,0]=4 4551 B17R2.347142 CC(=O)Nc1cc(ccc1O)NC2COC2 34a_100000070259_100009818527 [0,2,0,1,0,0|0,0,0]=3 4552 B17R2.347142 CC(=O)Nc1cc(ccc1O)NC2COC2 7a_100000070259_100009818527 [0,2,0,1,0,0|0,0,0]=3 4553 B17R2.351956 COC(C)Sc1ccc(c2c1CC(=O)N2)F 62a_100009879195_100012355367 [0,2,0,1,0,0|1,0,0]=4 4554 B17R2.337 CC(=O)Cc1cc(ccc1O)C2=CCOC2 271570a_100009872500_200010006938 [0,2,0,1,0,0|1,0,0]=4 4555 B17R2.337 CC(=O)Nc1cc(ccc1C)C2=CCOC2 271570a_100009872500_100011344836 [0,2,0,1,0,0|1,0,0]=4 4556 B17R2.337 CC(=O)Nc1cc(ccc1F)C2=CCOC2 271570a_100009872500_200011951791 [0,2,0,1,0,0|1,0,0]=4 4557 B17R2.6194 CCCC(=O)c1ccc2c(c1)NC(=O)CO2 1458a_100000187493_100000210303 [0,2,0,1,0,0|1,0,0]=4 4558 B17R2.6194 CNCC(=O)c1ccc2c(c1)NC(=O)CO2 2230a_106832991635_100000185150 [0,2,0,1,0,0|1,0,0]=4 4559 B17R2.6194 CNCC(=O)c1ccc2c(c1)NC(=O)CO2 7a_106832991635_100000185150 [0,2,0,1,0,0|1,0,0]=4 4560 B17R2.19729 C=C(C)CNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000748629 [0,2,0,1,0,0|1,0,0]=4 4561 B17R2.19729 C=C(C)COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000748629 [0,2,0,1,0,0|1,0,0]=4 4562 B17R2.19729 CC(C)CNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000210760 [0,2,0,1,0,0|1,0,0]=4 4563 B17R2.19729 CC(C)COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000210624 [0,2,0,1,0,0|1,0,0]=4 4564 B17R2.19729 CC(O)CNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100011218427 [0,2,0,1,0,0|1,0,0]=4 4565 B17R2.19729 CC(O)COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100011218427 [0,2,0,1,0,0|1,0,0]=4 4566 B17R2.19729 C[C@@H](O)CNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100009817552 [0,2,0,1,0,0|1,0,0]=4 4567 B17R2.19729 C[C@@H](O)COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100009817552 [0,2,0,1,0,0|1,0,0]=4 4568 B17R2.56827 CC(=O)Cc1cc(ccc1O)SCC2CO2 62a_102125554688_200010006938 [0,2,0,1,0,0|1,0,0]=4 4569 B17R2.56827 CC(=O)Cc1cc(ccc1O)SCC2CO2 62a_200010006938_102125554688 [0,2,0,1,0,0|1,0,0]=4 4570 B17R2.56827 CC(=O)Cc1cc(ccc1O)SC[C@@H]2CO2 62a_100000745022_200010006938 [0,2,0,1,0,0|1,0,0]=4 4571 B17R2.56827 CC(=O)Cc1cc(ccc1O)SC[C@@H]2CO2 62a_200010006938_100000745022 [0,2,0,1,0,0|1,0,0]=4 4572 B17R2.56827 CC(=O)Nc1cc(ccc1C)NCC2CO2 34a_100000740626_102125554688 [0,2,0,1,0,0|1,0,0]=4 4573 B17R2.56827 CC(=O)Nc1cc(ccc1C)NCC2CO2 7a_100000740626_102125554688 [0,2,0,1,0,0|1,0,0]=4 4574 B17R2.56827 CC(=O)Nc1cc(ccc1C)NC[C@@H]2CO2 7a_100000740626_100000745022 [0,2,0,1,0,0|1,0,0]=4 4575 B17R2.56827 CC(=O)Nc1cc(ccc1C)SCC2CO2 62a_102125554688_100011344836 [0,2,0,1,0,0|1,0,0]=4 4576 B17R2.56827 CC(=O)Nc1cc(ccc1C)SC[C@@H]2CO2 62a_100000745022_100011344836 [0,2,0,1,0,0|1,0,0]=4 4577 B17R2.56827 CC(=O)Nc1cc(ccc1Cl)NCC2CO2 34a_100000745429_102125554688 [0,2,0,1,0,0|1,0,0]=4 4578 B17R2.56827 CC(=O)Nc1cc(ccc1Cl)NCC2CO2 7a_100000745429_102125554688 [0,2,0,1,0,0|1,0,0]=4 4579 B17R2.56827 CC(=O)Nc1cc(ccc1Cl)NC[C@@H]2CO2 7a_100000745429_100000745022 [0,2,0,1,0,0|1,0,0]=4 4580 B17R2.56827 CC(=O)Nc1cc(ccc1F)NCC2CO2 34a_100000736141_102125554688 [0,2,0,1,0,0|1,0,0]=4 4581 B17R2.56827 CC(=O)Nc1cc(ccc1F)NCC2CO2 7a_100000736141_102125554688 [0,2,0,1,0,0|1,0,0]=4 4582 B17R2.56827 CC(=O)Nc1cc(ccc1F)NC[C@@H]2CO2 7a_100000736141_100000745022 [0,2,0,1,0,0|1,0,0]=4 4583 B17R2.56827 CC(=O)Nc1cc(ccc1F)SCC2CO2 62a_102125554688_200011951791 [0,2,0,1,0,0|1,0,0]=4 4584 B17R2.56827 CC(=O)Nc1cc(ccc1F)SC[C@@H]2CO2 62a_100000745022_200011951791 [0,2,0,1,0,0|1,0,0]=4 4585 B17R2.56827 CC(=O)Nc1cc(ccc1O)NCC2CC2 34a_100000070259_100000742324 [0,2,0,1,0,0|1,0,0]=4 4586 B17R2.56827 CC(=O)Nc1cc(ccc1O)NCC2CC2 7a_100000070259_100000742324 [0,2,0,1,0,0|1,0,0]=4 4587 B17R2.56827 CC(=O)Nc1cc(ccc1O)NCC2CO2 34a_100000070259_102125554688 [0,2,0,1,0,0|0,0,0]=3 4588 B17R2.56827 CC(=O)Nc1cc(ccc1O)NCC2CO2 7a_100000070259_102125554688 [0,2,0,1,0,0|0,0,0]=3 4589 B17R2.56827 CC(=O)Nc1cc(ccc1O)NCC2CS2 7a_100000070259_100000031435 [0,2,0,1,0,0|0,1,0]=4 4590 B17R2.56827 CC(=O)Nc1cc(ccc1O)NC[C@@H]2CO2 7a_100000070259_100000745022 [0,2,0,1,0,0|0,0,0]=3 4591 B17R2.2015 C/C=C/COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100102629194 [0,2,0,1,0,0|1,0,0]=4 4592 B17R2.2015 C=CCNCc1ccc2c(c1)NC(=O)CO2 270004a_100020586998_100000766376 [0,2,0,1,0,0|1,0,0]=4 4593 B17R2.2015 CC#CCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000748600 [0,2,0,1,0,0|1,0,0]=4 4594 B17R2.2015 CC#CCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000748600 [0,2,0,1,0,0|1,0,0]=4 4595 B17R2.2015 CC=CCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000070051 [0,2,0,1,0,0|1,0,0]=4 4596 B17R2.2015 CC=CCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000070051 [0,2,0,1,0,0|1,0,0]=4 4597 B17R2.2015 CCCC=Cc1ccc2c(c1)NC(=O)CO2 271570a_100016258520_100000244627 [0,2,0,1,0,0|1,0,0]=4 4598 B17R2.2015 CCCCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000210211 [0,2,0,1,0,0|1,0,0]=4 4599 B17R2.2015 CCCCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000210210 [0,2,0,1,0,0|1,0,0]=4 4600 B17R2.2015 CCCNCc1ccc2c(c1)NC(=O)CO2 270004a_100020643023_100000766376 [0,2,0,1,0,0|1,0,0]=4 4601 B17R2.2015 CCOC=Cc1ccc2c(c1)NC(=O)CO2 271570a_100016256518_100000244627 [0,2,0,1,0,0|0,0,1]=4 4602 B17R2.2015 CCOCSc1ccc2c(c1)NC(=O)CC2 62a_100000739092_100000763451 [0,2,0,1,0,0|1,0,0]=4 4603 B17R2.2015 CCOCSc1ccc2c(c1)NC(=O)CC2 62a_100000763451_100000739092 [0,2,0,1,0,0|1,0,0]=4 4604 B17R2.2015 CCOCSc1cnc2c(c1)NC(=O)CO2 62a_100000739092_100000699640 [0,2,0,1,0,0|1,0,0]=4 4605 B17R2.2015 COCC=Cc1ccc2c(c1)NC(=O)CC2 271570a_100016286323_100000763451 [0,2,0,1,0,0|1,0,0]=4 4606 B17R2.2015 COCC=Cc1ccc2c(c1)NC(=O)CO2 271570a_100016286323_100000244627 [0,2,0,1,0,0|0,0,0]=3 4607 B17R2.2015 COCC=Cc1ccc2c(c1)NC(=O)CS2 271570a_100016286323_100012361575 [0,2,0,1,0,0|0,1,0]=4 4608 B17R2.2015 COCC=Cc1ccc2c(n1)NC(=O)CO2 271570a_100016286323_100010235088 [0,2,0,1,0,0|1,0,0]=4 4609 B17R2.2015 COCC=Cc1cnc2c(c1)NC(=O)CO2 271570a_100016286323_100000699640 [0,2,0,1,0,0|1,0,0]=4 4610 B17R2.2015 COCCNc1ccc2c(c1)NC(=O)CC2 2230a_100000055022_100011201679 [0,2,0,1,0,0|1,0,0]=4 4611 B17R2.2015 COCCNc1ccc2c(c1)NC(=O)CC2 34a_100000055022_100011201679 [0,2,0,1,0,0|1,0,0]=4 4612 B17R2.2015 COCCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100011201679 [0,2,0,1,0,0|0,0,0]=3 4613 B17R2.2015 COCCOc1ccc2c(c1)NC(=O)CC2 34a_100000708604_100011201679 [0,2,0,1,0,0|1,0,0]=4 4614 B17R2.2015 COCCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100011201679 [0,2,0,1,0,0|0,0,0]=3 4615 B17R2.2015 COCCSc1ccc2c(c1)NC(=O)CC2 62a_100000233755_100000763451 [0,2,0,1,0,0|1,0,0]=4 4616 B17R2.2015 COCCSc1ccc2c(c1)NC(=O)CC2 62a_100000763451_100000233755 [0,2,0,1,0,0|1,0,0]=4 4617 B17R2.2015 COCCSc1cnc2c(c1)NC(=O)CO2 62a_100000233755_100000699640 [0,2,0,1,0,0|1,0,0]=4 4618 B17R2.2015 CSCCNc1ccc2c(c1)NC(=O)CO2 2230a_100000230169_100000751147 [0,2,0,1,0,0|0,1,0]=4 4619 B17R2.2015 CSCCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000212216 [0,2,0,1,0,0|0,1,0]=4 4620 B17R2.2015 O=C1COc2ccc(cc2N1)CNCCO 270004a_100000210304_100000766376 [0,2,0,1,0,0|1,0,0]=4 4621 B17R2.2015 O=C1COc2ccc(cc2N1)NCCCF 2230a_100000230169_100011934791 [0,2,0,1,0,0|1,0,0]=4 4622 B17R2.2015 O=C1COc2ccc(cc2N1)NCCCO 2230a_100000230169_100000230001 [0,2,0,1,0,0|1,0,0]=4 4623 B17R2.2015 O=C1COc2ccc(cc2N1)OCCCF 34a_100009876821_100011934791 [0,2,0,1,0,0|1,0,0]=4 4624 B17R2.2015 O=C1COc2ccc(cc2N1)OCCCO 34a_100009876821_100000230001 [0,2,0,1,0,0|1,0,0]=4 4625 B17R2.86927 CCOCSc1ccc(c2c1CC(=O)N2)F 62a_100000739092_100012355367 [0,2,0,1,0,0|1,0,0]=4 4626 B17R2.86927 COCC=Cc1ccc(c2c1CC(=O)N2)F 271570a_100016286323_100012355367 [0,2,0,1,0,0|1,0,0]=4 4627 B17R2.86927 COCCSc1ccc(c2c1CC(=O)N2)F 62a_100000233755_100012355367 [0,2,0,1,0,0|1,0,0]=4 4628 B17R2.56288 CCCCc1cc(c2c(c1)NC(=O)CO2)C 271570a_100020621405_100012356449 [0,2,0,1,0,0|1,0,0]=4 4629 B17R2.56288 CCCCc1cc(c2c(c1)NC(=O)CO2)F 271570a_100020621405_100012356450 [0,2,0,1,0,0|1,0,0]=4 4630 B17R2.56288 CCCSc1cc(c2c(c1)NC(=O)CO2)C 62a_100000210303_100012356449 [0,2,0,1,0,0|1,0,0]=4 4631 B17R2.56288 CCCSc1cc(c2c(c1)NC(=O)CO2)F 62a_100012356450_100000210303 [0,2,0,1,0,0|1,0,0]=4 4632 B17R2.56288 COCSc1cc(c2c(c1)NC(=O)CO2)C 62a_100000766300_100012356449 [0,2,0,1,0,0|0,0,0]=3 4633 B17R2.56288 COCSc1cc(c2c(c1)NC(=O)CO2)F 62a_100012356450_100000766300 [0,2,0,1,0,0|0,0,0]=3 4634 B17R2.56288 CSCSc1cc(c2c(c1)NC(=O)CO2)C 62a_100011218213_100012356449 [0,2,0,1,0,0|0,1,0]=4 4635 B17R2.56288 CSCSc1cc(c2c(c1)NC(=O)CO2)F 62a_100012356450_100011218213 [0,2,0,1,0,0|0,1,0]=4 4636 B17R2.59640 CCCCc1ccc2c(c1)N(C(=O)CO2)C 271570a_100020621405_100010196913 [0,2,0,1,0,0|1,0,0]=4 4637 B17R2.59640 CCCNc1ccc2c(c1)N(C(=O)CO2)C 2230a_100000765360_100000210303 [0,2,0,1,0,0|1,0,0]=4 4638 B17R2.59640 CCCNc1ccc2c(c1)N(C(=O)CO2)C 34a_100000765360_100000210303 [0,2,0,1,0,0|1,0,0]=4 4639 B17R2.59640 CCCSc1ccc2c(c1)N(C(=O)CO2)C 62a_100010196913_100000210303 [0,2,0,1,0,0|1,0,0]=4 4640 B17R2.59640 COCNc1ccc2c(c1)N(C(=O)CO2)C 2230a_100000765360_100000766300 [0,2,0,1,0,0|0,0,0]=3 4641 B17R2.59640 COCSc1ccc2c(c1)N(C(=O)CO2)C 62a_100010196913_100000766300 [0,2,0,1,0,0|0,0,0]=3 4642 B17R2.59640 CSCNc1ccc2c(c1)N(C(=O)CO2)C 2230a_100000765360_100011218213 [0,2,0,1,0,0|0,1,0]=4 4643 B17R2.59640 CSCNc1ccc2c(c1)N(C(=O)CO2)C 34a_100000765360_100011218213 [0,2,0,1,0,0|0,1,0]=4 4644 B17R2.59640 CSCSc1ccc2c(c1)N(C(=O)CO2)C 62a_100010196913_100011218213 [0,2,0,1,0,0|0,1,0]=4 4645 B17R2.51112 COCNc1ccc2c(c1)NC(=O)CCC2 2230a_100000081071_100000766300 [0,2,0,1,0,0|1,0,0]=4 4646 B17R2.59605 COCSc1ccc2c(c1)C=C(CO2)C=O 62a_100000739462_100000766300 [0,2,0,1,0,0|1,0,0]=4 4647 B17R2.153043 CCCCc1ccc2c(c1)NC(=O)C(O2)C 271570a_100020621405_100000745501 [0,2,0,1,0,0|1,0,0]=4 4648 B17R2.153043 CCCSc1ccc2c(c1)NC(=O)C(O2)C 62a_100000210303_100000745501 [0,2,0,1,0,0|1,0,0]=4 4649 B17R2.153043 COCSc1ccc2c(c1)NC(=O)C(O2)C 62a_100000766300_100000745501 [0,2,0,1,0,0|0,0,0]=3 4650 B17R2.153043 CSCSc1ccc2c(c1)NC(=O)C(O2)C 62a_100011218213_100000745501 [0,2,0,1,0,0|0,1,0]=4 4651 B17R2.59603 CCCCc1ccc2c(c1C)NC(=O)CO2 271570a_100020621405_100010272156 [0,2,0,1,0,0|1,0,0]=4 4652 B17R3.18499 O=C1COc2ccc(cc2N1)OC3CC3 34a_100009876821_100000211595 [0,1,0,2,0,0|1,0,0]=4 4653 B17R3.1231010 Cc1cc(cc2c1OCC(=O)N2)C3CC3 271570a_100011220607_100012356449 [0,1,0,2,0,0|1,0,0]=4 4654 B17R3.1231010 O=C1COc2c(cc(cc2N1)C3CC3)F 271570a_100011220607_100012356450 [0,1,0,2,0,0|1,0,0]=4 4655 B17R3.201542 CN1C(=O)COc2c1cc(cc2)C3CC3 271570a_100011220607_100010196913 [0,1,0,2,0,0|1,0,0]=4 4656 B17R3.49995 CC1Oc2ccc(cc2NC1=O)C3CC3 271570a_100011220607_100000745501 [0,1,0,2,0,0|1,0,0]=4 4657 B17R3.204063 Cc1c(ccc2c1NC(=O)CO2)C3CC3 271570a_100011220607_100010272156 [0,1,0,2,0,0|1,0,0]=4 4658 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [2,0,0,0,1,0|1,0,0]=4 4659 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [2,0,0,0,1,0|1,0,0]=4 4660 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [2,0,0,0,1,0|1,0,0]=4 4661 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [2,0,0,0,1,0|1,0,0]=4 4662 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [2,0,0,0,1,0|1,0,0]=4 4663 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [2,0,0,0,1,0|1,0,0]=4 4664 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [2,0,0,0,1,0|1,0,0]=4 4665 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [2,0,0,0,1,0|1,0,0]=4 4666 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [2,0,0,0,1,0|1,0,0]=4 4667 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [2,0,0,0,1,0|1,0,0]=4 4668 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [2,0,0,0,1,0|1,0,0]=4 4669 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [2,0,0,0,1,0|1,0,0]=4 4670 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [2,0,0,0,1,0|1,0,0]=4 4671 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [2,0,0,0,1,0|1,0,0]=4 4672 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [2,0,0,0,1,0|1,0,0]=4 4673 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [2,0,0,0,1,0|1,0,0]=4 4674 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [2,0,0,0,1,0|1,0,0]=4 4675 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [2,0,0,0,1,0|1,0,0]=4 4676 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [2,0,0,0,1,0|0,0,0]=3 4677 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [2,0,0,0,1,0|0,0,0]=3 4678 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [2,0,0,0,1,0|1,0,0]=4 4679 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [2,0,0,0,1,0|1,0,0]=4 4680 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [2,0,0,0,1,0|1,0,0]=4 4681 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [2,0,0,0,1,0|1,0,0]=4 4682 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [2,0,0,0,1,0|1,0,0]=4 4683 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [2,0,0,0,1,0|0,0,0]=3 4684 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [2,0,0,0,1,0|0,0,0]=3 4685 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [2,0,0,0,1,0|1,0,0]=4 4686 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [2,0,0,0,1,0|1,0,0]=4 4687 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [2,0,0,0,1,0|1,0,0]=4 4688 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [2,0,0,0,1,0|1,0,0]=4 4689 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [2,0,0,0,1,0|1,0,0]=4 4690 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [2,0,0,0,1,0|1,0,0]=4 4691 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [2,0,0,0,1,0|0,0,0]=3 4692 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [2,0,0,0,1,0|1,0,0]=4 4693 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [2,0,0,0,1,0|1,0,0]=4 4694 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [2,0,0,0,1,0|1,0,0]=4 4695 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [2,0,0,0,1,0|1,0,0]=4 4696 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [2,0,0,0,1,0|1,0,0]=4 4697 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [2,0,0,0,1,0|1,0,0]=4 4698 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [2,0,0,0,1,0|1,0,0]=4 4699 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [2,0,0,0,1,0|1,0,0]=4 4700 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [2,0,0,0,1,0|1,0,0]=4 4701 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [2,0,0,0,1,0|1,0,0]=4 4702 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [2,0,0,0,1,0|0,0,0]=3 4703 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [2,0,0,0,1,0|1,0,0]=4 4704 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [2,0,0,0,1,0|1,0,0]=4 4705 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [2,0,0,0,1,0|1,0,0]=4 4706 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [2,0,0,0,1,0|0,0,0]=3 4707 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [2,0,0,0,1,0|0,0,0]=3 4708 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [2,0,0,0,1,0|0,0,0]=3 4709 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [2,0,0,0,1,0|0,1,0]=4 4710 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [2,0,0,0,1,0|0,1,0]=4 4711 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [2,0,0,0,1,0|0,0,0]=3 4712 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [2,0,0,0,1,0|0,0,0]=3 4713 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [2,0,0,0,1,0|0,0,0]=3 4714 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [2,0,0,0,1,0|0,0,0]=3 4715 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [2,0,0,0,1,0|0,0,0]=3 4716 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [2,0,0,0,1,0|1,0,0]=4 4717 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [2,0,0,0,1,0|1,0,0]=4 4718 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [2,0,0,0,1,0|0,0,0]=3 4719 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [2,0,0,0,1,0|0,1,0]=4 4720 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [2,0,0,0,1,0|0,1,0]=4 4721 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [2,0,0,0,1,0|0,1,0]=4 4722 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [2,0,0,0,1,0|0,1,0]=4 4723 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [2,0,0,0,1,0|0,0,0]=3 4724 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [2,0,0,0,1,0|1,0,0]=4 4725 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [2,0,0,0,1,0|1,0,0]=4 4726 B11R1.124 COCc1csc(c1)C(=O)C 34a_100138415774_200000067479 [1,0,0,0,2,0|1,0,0]=4 4727 B13R1.893 C=C(C)CNc1cc(ccc1O)C 34a_100011215204_100000748629 [2,0,0,0,0,1|1,0,0]=4 4728 B13R1.893 CC(=O)NCc1cc(ccc1C)C 11a_100000174964_100015343762 [2,0,0,0,0,1|1,0,0]=4 4729 B13R1.893 CC(=O)NCc1cc(ccc1C)C 1626a_100000174964_100015343762 [2,0,0,0,0,1|1,0,0]=4 4730 B13R1.893 CC(=O)NCc1cc(ccc1C)C 240690a_100000174964_100015343762 [2,0,0,0,0,1|1,0,0]=4 4731 B13R1.893 CC(=O)NCc1cc(ccc1C)C 527a_100000174964_100103153847 [2,0,0,0,0,1|1,0,0]=4 4732 B13R1.893 CC(=O)NCc1cc(ccc1C)O 240690a_200009844824_100015343762 [2,0,0,0,0,1|1,0,0]=4 4733 B13R1.893 CC(=O)NCc1cc(ccc1C)O 527a_200009844824_100103153847 [2,0,0,0,0,1|1,0,0]=4 4734 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 11a_100025705715_100015343762 [2,0,0,0,0,1|1,0,0]=4 4735 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 1626a_100025705715_100015343762 [2,0,0,0,0,1|1,0,0]=4 4736 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 240690a_100025705715_100015343762 [2,0,0,0,0,1|1,0,0]=4 4737 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 527a_100025705715_100103153847 [2,0,0,0,0,1|1,0,0]=4 4738 B13R1.893 CC(=O)NCc1cc(ccc1F)C 11a_100102693586_100015343762 [2,0,0,0,0,1|1,0,0]=4 4739 B13R1.893 CC(=O)NCc1cc(ccc1F)C 1626a_100102693586_100015343762 [2,0,0,0,0,1|1,0,0]=4 4740 B13R1.893 CC(=O)NCc1cc(ccc1F)C 240690a_100102693586_100015343762 [2,0,0,0,0,1|1,0,0]=4 4741 B13R1.893 CC(=O)NCc1cc(ccc1F)C 527a_100102693586_100103153847 [2,0,0,0,0,1|1,0,0]=4 4742 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 240690a_100000730032_100015343762 [2,0,0,0,0,1|1,0,0]=4 4743 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 527a_100000730032_100103153847 [2,0,0,0,0,1|1,0,0]=4 4744 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_100015343762 [2,0,0,0,0,1|1,0,0]=4 4745 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 527a_100000238540_100103153847 [2,0,0,0,0,1|1,0,0]=4 4746 B13R1.893 CC(=O)NNc1cc(ccc1C)C 22a_100000683361_100000070787 [2,0,0,0,0,1|1,0,0]=4 4747 B13R1.893 CC(=O)NNc1cc(ccc1Cl)C 22a_200020642191_100000070787 [2,0,0,0,0,1|1,0,0]=4 4748 B13R1.893 CC(=O)NNc1cc(ccc1F)C 22a_100011248256_100000070787 [2,0,0,0,0,1|1,0,0]=4 4749 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)O 34a_100011215204_100000187820 [2,0,0,0,0,1|1,0,0]=4 4750 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])O 34a_100011215204_100020667443 [2,0,0,0,0,1|1,0,0]=4 4751 B17R1.18181 COCc1ccc(c(c1)NCCCC(=O)C)Br 34a_200013033220_100000685027 [0,0,0,0,0,3|1,0,0]=4 4752 B17R1.18181 COCc1ccc(c(c1)NCCOC(=O)C)Br 34a_200013033220_100009814007 [0,0,0,0,0,3|1,0,0]=4 4753 B17R1.18181 COCc1ccc(c(c1)SCCNC(=O)C)C 62a_100000189650_200015395492 [0,0,0,0,0,3|1,0,0]=4 4754 B17R1.18181 COCc1ccc(c(c1)SCCNC(=O)C)C 62a_200015395492_100000189650 [0,0,0,0,0,3|1,0,0]=4 4755 B17R1.18181 COCc1ccc(c(c1)SCCNC(=O)C)F 62a_100000189650_200011493689 [0,0,0,0,0,3|1,0,0]=4 4756 B17R1.18181 COCc1ccc(c(c1)SCCNC(=O)C)F 62a_200011493689_100000189650 [0,0,0,0,0,3|1,0,0]=4