0 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.18 Cn1nc(cc1O)N 271570a_203496583355_100116209741 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.18 Cn1nc(nc1N)O 271570a_203496583355_200010296169 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.18 Oc1cc(sc1Cl)Cl 271570a_203496583355_100010244177 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [1,0,0,0,0,0|1,1,1]=4 29 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [1,0,0,0,0,0|2,1,0]=4 30 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,0,0,0,0,0|1,0,1]=3 32 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.22 C=Cc1cc(nn1C)C 271570a_100011290941_100009818511 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.22 C=Cc1cc(nn1C)N 271570a_100011290941_100116209741 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.22 C=Cc1cc(sc1Cl)Cl 271570a_100011290941_100010244177 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.22 CCn1nc([nH]c1=O)O 271570a_203496583355_100009830087 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.22 CCn1nc(cc1C)O 271570a_203496583355_100010781242 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [0,1,0,0,0,0|2,1,0]=4 46 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [0,1,0,0,0,0|2,1,0]=4 47 B9R1.22 CSc1cc(nn1C)N 62a_100116209741_200000210301 [0,1,0,0,0,0|2,1,0]=4 48 B9R1.22 CSc1cc(nn1C)N 62a_200000210301_100116209741 [0,1,0,0,0,0|2,1,0]=4 49 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [0,1,0,0,0,0|2,1,0]=4 50 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [0,1,0,0,0,0|2,1,0]=4 51 B9R1.22 CSc1cc(sc1Cl)Cl 62a_200000210301_100010244177 [0,1,0,0,0,0|2,1,0]=4 52 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [0,1,0,0,0,0|2,1,0]=4 55 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [0,1,0,0,0,0|2,1,0]=4 56 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [0,1,0,0,0,0|2,1,0]=4 60 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [0,1,0,0,0,0|2,1,0]=4 61 B9R1.22 Cn1cc(cc1C#N)O 271570a_203496583355_100009830613 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_100116209741_200025704644 [0,1,0,0,0,0|2,1,0]=4 63 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_200025704644_100116209741 [0,1,0,0,0,0|2,1,0]=4 64 B9R1.22 [13CH3]Sc1cc(sc1Cl)Cl 62a_200025704644_100010244177 [0,1,0,0,0,0|2,1,0]=4 65 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.23 C=Cc1cc(n(n1)C)C 271570a_100011290941_100012001299 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.23 C=Cc1cc(n(n1)C)N 271570a_100011290941_100000734454 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.23 CSc1cc(n(n1)C)C 62a_100012001299_200000210301 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.23 CSc1cc(n(n1)C)C 62a_200000210301_100012001299 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.23 CSc1cc(n(n1)C)N 62a_100000734454_200000210301 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.23 CSc1cc(n(n1)C)N 62a_200000210301_100000734454 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_100012001299_200025704644 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_200025704644_100012001299 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.23 Cn1nc(cc1N)S[13CH3] 62a_100000734454_200025704644 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.23 Cn1nc(cc1N)S[13CH3] 62a_200025704644_100000734454 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.37 Cc1nn(c(c1O)C)C 271570a_203496583355_100000239273 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,1,0,0,0|3,0,0]=4 85 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,1,0,0,0|2,0,0]=3 86 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,1,0,0,0|2,1,0]=4 87 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,0,1,0,0,0|2,0,0]=3 88 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,1,0,0,0|2,0,0]=3 89 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,1,0,0,0|2,0,0]=3 90 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,1,0,0,0|2,0,0]=3 91 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,0,1,0,0,0|1,0,0]=2 92 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,0,1,0,0,0|1,0,0]=2 93 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,0,1,0,0,0|1,0,0]=2 94 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,0,1,0,0,0|1,1,0]=3 95 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,0,1,0,0,0|1,1,0]=3 96 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,0,1,0,0,0|1,0,0]=2 97 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,0,1,0,0,0|1,0,0]=2 98 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,1,0,0,0|1,1,1]=4 99 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,1,0,0,0|1,1,1]=4 100 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,1,0,0,0|1,1,1]=4 101 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,0,1,0,0,0|3,0,0]=4 102 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,0,1,0,0,0|2,0,1]=4 103 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,0,1,0,0,0|2,0,1]=4 104 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,0,1,0,0,0|2,0,1]=4 105 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,0,1,0,0,0|2,0,1]=4 106 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,0,1,0,0,0|2,0,1]=4 107 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,0,1,0,0,0|2,0,1]=4 108 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,0,1,0,0,0|2,1,0]=4 111 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,0,1,0,0,0|2,0,0]=3 112 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,0,1,0,0,0|2,1,0]=4 113 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,0,1,0,0,0|3,0,0]=4 114 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,0,1,0,0,0|2,0,0]=3 115 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,0,1,0,0,0|2,0,0]=3 116 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,0,1,0,0,0|2,0,0]=3 117 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,0,1,0,0,0|1,1,0]=3 118 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,0,1,0,0,0|1,1,0]=3 119 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,0,1,0,0,0|1,0,0]=2 120 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,0,1,0,0,0|1,0,0]=2 121 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,0,1,0,0,0|1,0,0]=2 122 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,0,1,0,0,0|1,1,0]=3 123 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,0,1,0,0,0|3,0,0]=4 124 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.34 Cc1cc(cc(c1)Cl)O 271570a_203496583355_100010172791 [0,0,0,0,0,1|2,0,1]=4 126 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [0,0,0,0,0,1|2,0,1]=4 127 B9R1.69 Cc1cc(ncc1O)Cl 271570a_203496583355_100010172789 [0,0,0,0,0,1|2,0,1]=4 128 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [0,0,0,0,0,1|2,0,1]=4 129 B9R1.69 Cc1cnc(cc1O)Cl 271570a_203496583355_100010068021 [0,0,0,0,0,1|2,0,1]=4 130 B9R1.69 Cc1nc(c[nH]c1=O)O 271570a_203496583355_100010363809 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.69 Cc1nc(ccc1O)Cl 271570a_203496583355_100000062408 [0,0,0,0,0,1|2,0,1]=4 132 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [0,0,0,0,0,1|2,0,0]=3 133 B9R1.69 Cn1cc(cnc1=O)O 271570a_203496583355_100009819886 [0,0,0,0,0,1|2,0,0]=3 134 B9R1.69 Cn1cc(ncc1=O)O 271570a_203496583355_100009843036 [0,0,0,0,0,1|2,0,0]=3 135 B9R1.69 Cn1ccc(cc1=O)O 271570a_203496583355_100009820031 [0,0,0,0,0,1|2,0,0]=3 136 B9R1.69 Cn1cnc(cc1=O)O 271570a_203496583355_100012179353 [0,0,0,0,0,1|2,0,0]=3 137 B9R1.69 Cn1nc(ccc1=O)O 271570a_203496583355_100009820752 [0,0,0,0,0,1|2,0,0]=3 138 B9R1.69 Cn1ncc(cc1=O)O 271570a_203496583355_200010986246 [0,0,0,0,0,1|2,0,0]=3 139 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,1,0,0,0|1,0,1]=4 141 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,1,0,0,0|1,0,1]=4 142 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,1,0,0,0|1,0,1]=4 143 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,1,0,0,0|1,0,1]=4 144 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|2,0,0]=4 145 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,1,0,0,0|1,0,0]=3 146 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,1,0,0,0|1,0,0]=3 147 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,1,0,0,0|1,0,0]=3 148 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,1,0,0,0|1,1,0]=4 149 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,1,0,0,0|1,0,0]=3 150 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,1,0,0,0|1,1,0]=4 151 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,0,1,0,0,0|0,1,0]=3 152 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,0,1,0,0,0|0,1,0]=3 153 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,0,1,0,0,0|0,0,0]=2 154 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,0,1,0,0,0|0,0,0]=2 155 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,0,1,0,0,0|0,0,0]=2 156 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,0,1,0,0,0|0,1,0]=3 157 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,0,1,0,0,0|1,0,0]=3 160 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,0,1,0,0,0|1,1,0]=4 161 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,0,1,0,0,0|1,0,0]=3 163 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,0,1,0,0,0|1,1,0]=4 164 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [1,0,1,0,0,0|1,0,0]=3 165 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [1,0,1,0,0,0|1,0,0]=3 166 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [1,0,1,0,0,0|1,0,0]=3 168 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [1,0,1,0,0,0|1,0,0]=3 169 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [2,0,0,0,0,0|1,0,1]=4 170 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [2,0,0,0,0,0|2,0,0]=4 171 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|2,0,0]=4 172 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [2,0,0,0,0,0|1,0,1]=4 173 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [2,0,0,0,0,0|0,0,2]=4 174 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [2,0,0,0,0,0|1,0,1]=4 175 B8R0.2 CNC(=O)C(=C(Cl)Cl)Cl 11a_106832991635_100000031907 [0,1,1,0,0,0|1,0,0]=3 176 B8R0.2 CNC(=O)C(=C(Cl)Cl)Cl 1626a_100102657272_100000031907 [0,1,1,0,0,0|1,0,0]=3 177 B8R0.2 CNC(=O)C(=C(Cl)Cl)Cl 240690a_100102657272_100000031907 [0,1,1,0,0,0|1,0,0]=3 178 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,1,1,0,0,0|2,0,0]=4 179 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,1,1,0,0,0|2,0,0]=4 180 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,1,1,0,0,0|2,0,0]=4 181 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,1,1,0,0,0|2,0,0]=4 182 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,1,1,0,0,0|2,0,0]=4 183 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,1,1,0,0,0|2,0,0]=4 184 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,1,0,0,0|2,0,0]=4 185 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,1,0,0,0|2,0,0]=4 186 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,1,1,0,0,0|1,0,0]=3 187 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,1,1,0,0,0|1,0,0]=3 188 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,1,1,0,0,0|1,1,0]=4 189 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,1,1,0,0,0|1,0,0]=3 190 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,1,1,0,0,0|2,0,0]=4 191 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,1,1,0,0,0|1,0,0]=3 192 B8R0.5 O=C(C=C(Cl)Cl)CCF 1458a_100000137448_100011217306 [0,1,1,0,0,0|2,0,0]=4 193 B8R0.5 O=C(C=C(Cl)Cl)CCO 1458a_100000137448_100000211926 [0,1,1,0,0,0|2,0,0]=4 194 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,1,0,0,0|2,0,0]=4 195 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,1,0,0,0|2,0,0]=4 196 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,1,0,0,0|2,0,0]=4 197 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,1,0,0,0|2,0,0]=4 198 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,1,0,0,0|2,0,0]=4 199 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,1,0,0,0|2,0,0]=4 200 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,1,1,0,0,0|2,0,0]=4 201 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,1,1,0,0,0|2,0,0]=4 202 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,1,1,0,0,0|2,0,0]=4 203 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,1,1,0,0,0|2,0,0]=4 204 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,1,1,0,0,0|1,0,0]=3 205 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,1,1,0,0,0|1,0,0]=3 206 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,1,1,0,0,0|1,0,0]=3 207 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,1,1,0,0,0|1,1,0]=4 208 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,1,1,0,0,0|1,1,0]=4 209 B8R0.23 CC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000210206 [0,1,1,0,0,0|2,0,0]=4 210 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 1626a_100102631434_100000137448 [0,1,1,0,0,0|1,0,0]=3 211 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 240690a_100102631434_100000137448 [0,1,1,0,0,0|1,0,0]=3 212 B8R0.3 C#CC(C)C(=O)C=CCl 1458a_200016279998_200000035995 [0,1,1,0,0,0|2,0,0]=4 213 B8R0.3 C=CCN(C)C(=O)C=C 1626a_100000225617_100000185746 [0,1,1,0,0,0|2,0,0]=4 214 B8R0.3 C=CCN(C)C(=O)C=C 240690a_100000225617_200121576911 [0,1,1,0,0,0|2,0,0]=4 215 B8R0.3 CC(C#N)C(=O)C=CCl 1458a_200016279998_100000703298 [0,1,1,0,0,0|2,0,0]=4 216 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,1,1,0,0,0|2,0,0]=4 217 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,1,1,0,0,0|2,0,0]=4 218 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,1,1,0,0,0|2,0,0]=4 219 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,1,1,0,0,0|2,0,0]=4 220 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,1,1,0,0,0|1,1,0]=4 221 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,1,1,0,0,0|1,1,0]=4 222 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,1,1,0,0,0|1,0,0]=3 223 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,1,1,0,0,0|1,0,0]=3 224 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,1,1,0,0,0|1,0,0]=3 225 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,1,1,0,0,0|1,1,0]=4 226 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [0,1,1,0,0,0|2,0,0]=4 227 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,1,1,0,0,0|2,0,0]=4 228 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,1,1,0,0,0|2,0,0]=4 229 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,1,1,0,0,0|2,0,0]=4 230 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,1,1,0,0,0|2,0,0]=4 231 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,1,1,0,0,0|2,0,0]=4 232 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,1,1,0,0,0|2,0,0]=4 234 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [0,1,1,0,0,0|2,0,0]=4 235 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [0,1,1,0,0,0|2,0,0]=4 236 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.1 C=Cc1ccn(n1)C 271570a_100011290941_100000752436 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [1,1,0,0,0,0|1,1,0]=4 242 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [1,1,0,0,0,0|1,1,0]=4 243 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [1,1,0,0,0,0|1,1,0]=4 256 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [1,1,0,0,0,0|1,1,0]=4 257 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [1,1,0,0,0,0|1,0,1]=4 261 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [1,1,0,0,0,0|1,1,0]=4 263 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [1,1,0,0,0,0|1,1,0]=4 264 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,1,0,0,0,0|1,1,0]=4 265 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,1,0,0,0,0|1,1,0]=4 266 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,1,0,0,0,0|1,1,0]=4 274 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,1,0,0,0,0|1,1,0]=4 275 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [1,1,0,0,0,0|1,1,0]=4 277 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [1,1,0,0,0,0|1,1,0]=4 278 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.118 Cc1cc(=O)n(nc1O)C 271570a_203496583355_100010988965 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.118 Cn1cc(c(=O)[nH]c1=O)O 271570a_203496583355_100000185368 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.119 Cn1ncc(c(c1=O)O)N 271570a_203496583355_100012360461 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.176 C=Cc1cc(=O)n(cn1)C 271570a_100011290941_100012179353 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.176 C=Cc1ccc(=O)n(n1)C 271570a_100011290941_100009820752 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.176 C=Cc1ccn(c(=O)c1)C 271570a_100011290941_100009820031 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.176 C=Cc1cn(c(=O)cn1)C 271570a_100011290941_100009843036 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.176 C=Cc1cnc(=O)n(c1)C 271570a_100011290941_100009819886 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.176 C=Cc1cnn(c(=O)c1)C 271570a_100011290941_200010986246 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.176 CNc1cc(=O)n(cn1)C 27a_100102657272_100012179353 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.176 CNc1ccn(c(=O)c1)C 27a_100102657272_100009820031 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.176 CSc1cc(=O)n(cn1)C 62a_100012179353_200000210301 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.176 CSc1cc(=O)n(cn1)C 62a_200000210301_100012179353 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.176 CSc1ccc(=O)n(c1)C 62a_100011245003_200000210301 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.176 CSc1ccc(=O)n(c1)C 62a_200000210301_100011245003 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.176 CSc1ccc(=O)n(n1)C 62a_100009820752_200000210301 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.176 CSc1ccc(=O)n(n1)C 62a_200000210301_100009820752 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.176 CSc1ccn(c(=O)c1)C 62a_100009820031_200000210301 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.176 CSc1ccn(c(=O)c1)C 62a_200000210301_100009820031 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.176 CSc1cn(c(=O)cn1)C 62a_100009843036_200000210301 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.176 CSc1cn(c(=O)cn1)C 62a_200000210301_100009843036 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.176 CSc1cnc(=O)n(c1)C 62a_100009819886_200000210301 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.176 CSc1cnc(=O)n(c1)C 62a_200000210301_100009819886 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.176 CSc1cnn(c(=O)c1)C 62a_200000210301_200010986246 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.176 CSc1cnn(c(=O)c1)C 62a_200010986246_200000210301 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_100011245003_200025704644 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_200025704644_100011245003 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.176 Cn1cc(cnc1=O)S[13CH3] 62a_100009819886_200025704644 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.176 Cn1cc(cnc1=O)S[13CH3] 62a_200025704644_100009819886 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.176 Cn1cc(ncc1=O)S[13CH3] 62a_100009843036_200025704644 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.176 Cn1cc(ncc1=O)S[13CH3] 62a_200025704644_100009843036 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.176 Cn1ccc(cc1=O)S[13CH3] 62a_100009820031_200025704644 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.176 Cn1ccc(cc1=O)S[13CH3] 62a_200025704644_100009820031 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.176 Cn1cnc(cc1=O)S[13CH3] 62a_100012179353_200025704644 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.176 Cn1cnc(cc1=O)S[13CH3] 62a_200025704644_100012179353 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.176 Cn1nc(ccc1=O)S[13CH3] 62a_100009820752_200025704644 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.176 Cn1nc(ccc1=O)S[13CH3] 62a_200025704644_100009820752 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.176 Cn1ncc(cc1=O)S[13CH3] 62a_200010986246_200025704644 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.176 Cn1ncc(cc1=O)S[13CH3] 62a_200025704644_200010986246 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.130 CNCc1sc(cc1Br)Cl 207a_100102657272_100021366026 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.130 CNCc1sc(cc1Br)Cl 270004a_106832991635_100021366026 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,0,1,0,0,1|1,1,0]=4 326 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,0,1,0,0,1|1,1,0]=4 327 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,0,1,0,0,1|2,0,0]=4 328 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,0,1,0,0,1|2,0,0]=4 329 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,0,1,0,0,1|2,0,0]=4 330 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,0,1,0,0,1|2,0,0]=4 331 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [1,0,0,0,0,1|2,0,0]=4 332 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [1,0,0,0,0,1|2,0,0]=4 333 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [1,0,0,0,0,1|2,0,0]=4