0 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.118 CCC(CC)Oc1cccnc1 7a_100000210849_100000210505 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.118 CCC(CC)Sc1ccccn1 62a_100000210505_100011216584 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.118 CCC(CC)Sc1ccccn1 62a_100011216584_100000210505 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.118 CCC(CC)Sc1cccnc1 62a_100000210063_100000210505 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.118 CCC(CC)Sc1cccnc1 62a_100000210505_100000210063 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.118 CCC(CC)Sc1ccncc1 62a_100000210505_100000728582 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.118 CCC(CC)Sc1ccncc1 62a_100000728582_100000210505 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000186914_100000210202 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000724800_100015291786 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.118 CCN(CC)Cc1ccccc1 269956a_100000042499_100015291786 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000186914_100000204670 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000724800_100000211182 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.118 CCN(CC)Cc1ccccc1 270004a_100000724800_100015611070 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.118 CCN(CC)Cc1ccccn1 2230a_100000201164_100000210202 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.118 CCN(CC)Cc1ccccn1 2230a_100000724800_100000721315 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.118 CCN(CC)Cc1ccccn1 269956a_100000042499_100000721315 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.118 CCN(CC)Cc1ccccn1 269982a_100000201164_100000204670 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.118 CCN(CC)Cc1ccccn1 269982a_100000724800_100000721315 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.118 CCN(CC)Cc1ccccn1 270004a_100000724800_100000209966 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.118 CCN(CC)Cc1cccnc1 2230a_100000186920_100000210202 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.118 CCN(CC)Cc1cccnc1 2230a_100000724800_100000741622 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.118 CCN(CC)Cc1cccnc1 269956a_100000042499_100000733263 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.118 CCN(CC)Cc1cccnc1 269982a_100000186920_100000204670 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.118 CCN(CC)Cc1cccnc1 269982a_100000724800_100000733263 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.118 CCN(CC)Cc1cccnc1 270004a_100000724800_100000209961 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.118 CCN(CC)Cc1ccncc1 2230a_100000186919_100000210202 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.118 CCN(CC)Cc1ccncc1 2230a_100000724800_100015193705 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.118 CCN(CC)Cc1ccncc1 269956a_100000042499_100015193705 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.118 CCN(CC)Cc1ccncc1 269982a_100000186919_100000204670 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.118 CCN(CC)Cc1ccncc1 269982a_100000724800_100015193705 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.118 CCN(CF)Cc1ccccc1 269982a_100000186914_100015361967 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,0,0,0,0,0|2,0,0]=2 47 B12R1.118 COC(CN1CC=CCC1)OC 2230a_100000698166_100000751394 [0,0,0,0,0,0|1,0,3]=4 48 B12R1.118 COC(CN1CC=CCC1)OC 270004a_100000698166_100000752162 [0,0,0,0,0,0|1,0,3]=4 49 B12R1.118 COC(CN1CC=CCC1)OC 34a_100000698166_100000211822 [0,0,0,0,0,0|1,0,3]=4 50 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,0,0,0,0,0|2,0,0]=2 51 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,0,0,0,0,0|2,1,0]=3 52 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,0,0,0,0,0|2,1,0]=3 53 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,0,0,0,0,0|3,0,0]=3 54 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,0,0,0,0,0|3,0,0]=3 55 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,0,0,0,0,0|2,0,0]=2 58 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,0,0,0,0,0|2,0,0]=2 59 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,0,0,0,0,0|2,1,0]=3 60 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,0,0,0,0,0|2,1,0]=3 61 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,0,0,0,0,0|0,0,0]=1 73 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,0,0,0,0,0|0,0,0]=1 74 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,0,0,0,0,0|0,1,0]=2 75 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,0,0,0,0,0|0,1,0]=2 76 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,0,0,0,0,0|1,0,2]=4 80 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,0,0,0,0,0|1,0,0]=2 129 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,0,0,0,0,0|1,0,0]=2 130 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,0,0,0,0,0|2,0,0]=3 133 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,0,0,0,0,0|0,0,0]=1 137 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,0,0,0,0,0|0,0,0]=1 138 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,0,0,0,0,0|0,0,0]=1 139 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,0,0,0,0,0|1,0,0]=2 140 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,0,0,0,0,0|1,0,0]=2 141 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [1,0,0,0,0,0|2,0,0]=3 142 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [1,0,0,0,0,0|2,0,0]=3 144 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [1,0,0,0,0,0|2,0,0]=3 145 B11R1.40 COC(C)Sc1cccnn1 62a_100009879195_100016991348 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.40 COC(C)Sc1cccnn1 62a_100016991348_100009879195 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.40 COC(C)Sc1ccncc1 62a_100000728582_100009879195 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.40 COC(C)Sc1ccncc1 62a_100009879195_100000728582 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.40 COC(C)Sc1ccncn1 62a_100000703185_100009879195 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.40 COC(C)Sc1ccncn1 62a_100009879195_100000703185 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.40 COC(C)Sc1ccnnc1 62a_100000732662_100009879195 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.40 COC(C)Sc1ccnnc1 62a_100009879195_100000732662 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [1,0,0,0,0,0|3,0,0]=4 154 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [1,0,0,0,0,0|3,0,0]=4 155 B11R1.40 COC(C)Sc1cncnc1 62a_100009879195_100011206942 [1,0,0,0,0,0|3,0,0]=4 156 B11R1.40 COC(C)Sc1cncnc1 62a_100011206942_100009879195 [1,0,0,0,0,0|3,0,0]=4 157 B11R1.40 COC(C)Sc1ncccn1 62a_100000211032_100009879195 [1,0,0,0,0,0|3,0,0]=4 158 B11R1.40 COC(C)Sc1ncccn1 62a_100009879195_100000211032 [1,0,0,0,0,0|3,0,0]=4 159 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,0,0,0,0,0|0,1,0]=2 160 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,0,0,0,0,0|0,1,0]=2 161 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,0,0,0,0,0|3,0,0]=4 163 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [0,1,0,0,0,0|1,0,1]=3 164 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [0,1,0,0,0,0|1,0,1]=3 165 B13R1.79 C#CC(Cc1ccccc1)OCF 34a_100000685211_100015361967 [0,1,0,0,0,0|1,0,1]=3 166 B13R1.79 C#CC(Cc1ccccc1)OCF 7a_100000685211_100015361967 [0,1,0,0,0,0|1,0,1]=3 167 B13R1.79 CCC(Cc1ccccc1)OCF 7a_100000760156_100015361967 [0,1,0,0,0,0|1,0,0]=2 168 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000184400_100000210202 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000186914_100000210303 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000226822_100015291786 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000184400_100000204670 [0,1,0,0,0,0|3,0,0]=4 175 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000186914_100000210303 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000226822_100000211182 [0,1,0,0,0,0|3,0,0]=4 177 B13R1.79 CCCN(CC)Cc1ccccc1 270004a_100000226822_100015611070 [0,1,0,0,0,0|3,0,0]=4 178 B13R1.79 CCN(CCF)Cc1ccccc1 2230a_100000186914_100011217306 [0,1,0,0,0,0|3,0,0]=4 179 B13R1.79 CCN(CCF)Cc1ccccc1 269982a_100000186914_100011217306 [0,1,0,0,0,0|3,0,0]=4 180 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000180844_100000210202 [0,1,0,0,0,0|3,0,0]=4 181 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000186914_100000211926 [0,1,0,0,0,0|3,0,0]=4 182 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000210973_100015291786 [0,1,0,0,0,0|3,0,0]=4 183 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000180844_100000204670 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000186914_100000211926 [0,1,0,0,0,0|3,0,0]=4 185 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000210973_100000211182 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.79 CCN(CCO)Cc1ccccc1 270004a_100000210973_100015611070 [0,1,0,0,0,0|3,0,0]=4 187 B13R1.79 CCN(COC)Cc1ccccc1 2230a_100000186914_100000766300 [0,1,0,0,0,0|2,0,0]=3 188 B13R1.79 CCN(COC)Cc1ccccc1 269982a_100000186914_100000766300 [0,1,0,0,0,0|2,0,0]=3 189 B13R1.79 CCN(COC)Cc1ccccn1 2230a_100000201164_100000766300 [0,1,0,0,0,0|3,0,0]=4 190 B13R1.79 CCN(COC)Cc1ccccn1 269982a_100000201164_100000766300 [0,1,0,0,0,0|3,0,0]=4 191 B13R1.79 CCN(COC)Cc1cccnc1 2230a_100000186920_100000766300 [0,1,0,0,0,0|3,0,0]=4 192 B13R1.79 CCN(COC)Cc1cccnc1 269982a_100000186920_100000766300 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.79 CCN(COC)Cc1ccncc1 2230a_100000186919_100000766300 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.79 CCN(COC)Cc1ccncc1 269982a_100000186919_100000766300 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.79 CCN(CSC)Cc1ccccc1 2230a_100000186914_100011218213 [0,1,0,0,0,0|2,1,0]=4 196 B13R1.79 CCN(CSC)Cc1ccccc1 269982a_100000186914_100011218213 [0,1,0,0,0,0|2,1,0]=4 197 B13R1.79 CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210202 [0,1,0,0,0,0|3,0,0]=4 198 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,1,0,0,0,0|2,0,0]=3 199 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,1,0,0,0,0|3,0,0]=4 200 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,1,0,0,0,0|1,0,0]=2 201 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,1,0,0,0,0|2,0,0]=3 202 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,1,0,0,0,0|2,0,0]=3 203 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000183401_100000210202 [0,1,0,0,0,0|2,1,0]=4 204 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000210202_100000183401 [0,1,0,0,0,0|2,1,0]=4 205 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,1,0,0,0,0|1,0,0]=2 206 B13R1.79 CNCC(CO)Cc1ccccc1 34a_100160572655_200000210301 [0,1,0,0,0,0|3,0,0]=4 207 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,1,0,0,0,0|1,0,0]=2 208 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,1,0,0,0,0|1,0,0]=2 209 B13R1.79 COCC(C#N)Cc1ccccc1 34a_100000684917_200000210301 [0,1,0,0,0,0|2,0,0]=3 210 B13R1.79 COCC(C#N)Cc1ccccc1 7a_100000684917_200000210301 [0,1,0,0,0,0|2,0,0]=3 211 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [0,1,0,0,0,0|2,0,0]=3 212 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,1,0,0,0,0|1,0,0]=2 213 B13R1.79 FCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015361967 [0,1,0,0,0,0|2,0,0]=3 214 B13R1.79 N#CC(Cc1ccccc1)SCF 62a_100000183401_100015361967 [0,1,0,0,0,0|2,1,0]=4 215 B13R1.79 N#CC(Cc1ccccc1)SCF 62a_100015361967_100000183401 [0,1,0,0,0,0|2,1,0]=4 216 B13R1.79 NCC(Cc1ccccc1)OCF 34a_100000752270_100015361967 [0,1,0,0,0,0|2,0,0]=3 217 B13R1.79 [13CH3]NCC(CO)Cc1ccccc1 34a_100160572655_200025704644 [0,1,0,0,0,0|3,0,0]=4 218 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 34a_100000684917_200025704644 [0,1,0,0,0,0|2,0,0]=3 219 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 7a_100000684917_200025704644 [0,1,0,0,0,0|2,0,0]=3 220 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [0,1,0,0,0,0|2,0,0]=3 221 B13R1.86 CCC(CC)C(=O)c1ccccc1 1458a_100000185807_100000210505 [0,1,0,0,0,0|2,0,1]=4 222 B13R1.86 CCC(CC)N(C)c1ccccc1 269982a_100000210012_100000210505 [0,1,0,0,0,0|3,0,0]=4 223 B13R1.86 CCN(CC)C(C)c1ccccc1 2230a_100000724800_100000230085 [0,1,0,0,0,0|3,0,0]=4 224 B13R1.86 CCN(CC)C(C)c1ccccc1 269956a_100000042499_100000211855 [0,1,0,0,0,0|3,0,0]=4 225 B13R1.86 CCN(CC)C(C)c1ccccc1 269982a_100000724800_100000230085 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.86 CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200000210301 [0,1,0,0,0,0|3,0,0]=4 227 B13R1.86 [13CH3]N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.145 CCC(CC)Oc1ccc(cc1)Br 7a_100000185759_100000210505 [0,1,0,0,0,0|3,0,0]=4 229 B13R1.145 CCC(CC)Oc1ccc(cc1)C 7a_100000210336_100000210505 [0,1,0,0,0,0|3,0,0]=4 230 B13R1.145 CCC(CC)Oc1ccc(cc1)Cl 7a_100000210216_100000210505 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.145 CCC(CC)Oc1ccc(cc1)I 7a_100000212066_100000210505 [0,1,0,0,0,0|3,0,0]=4 232 B13R1.145 CCC(CC)Sc1ccc(cc1)Br 62a_100000210505_100000752885 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.145 CCC(CC)Sc1ccc(cc1)Br 62a_100000752885_100000210505 [0,1,0,0,0,0|3,0,0]=4 234 B13R1.145 CCC(CC)Sc1ccc(cc1)C 62a_100000186775_100000210505 [0,1,0,0,0,0|3,0,0]=4 235 B13R1.145 CCC(CC)Sc1ccc(cc1)C 62a_100000210505_100000186775 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.145 CCC(CC)Sc1ccc(cc1)Cl 62a_100000210505_100000755918 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.145 CCC(CC)Sc1ccc(cc1)Cl 62a_100000755918_100000210505 [0,1,0,0,0,0|3,0,0]=4 238 B13R1.145 CCC(CC)Sc1ccc(cc1)F 62a_100000210505_100000211213 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.145 CCC(CC)Sc1ccc(cc1)F 62a_100000211213_100000210505 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.145 CCC(CC)Sc1ccc(cc1)N 62a_100000185761_100000210505 [0,1,0,0,0,0|3,0,0]=4 241 B13R1.145 CCC(CC)Sc1ccc(cc1)N 62a_100000210505_100000185761 [0,1,0,0,0,0|3,0,0]=4 242 B13R1.145 CCC(CC)Sc1ccc(cc1)O 62a_100000210505_100000185759 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 2230a_100000187385_100000210202 [0,1,0,0,0,0|3,0,0]=4 244 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 2230a_100000724800_100011217064 [0,1,0,0,0,0|3,0,0]=4 245 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 269956a_100000042499_100011217064 [0,1,0,0,0,0|3,0,0]=4 246 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 269982a_100000187385_100000204670 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 269982a_100000724800_100011217064 [0,1,0,0,0,0|3,0,0]=4 248 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 270004a_100000724800_100000186029 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.145 CCN(CC)Cc1ccc(cc1)C 2230a_100000180869_100000210202 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.145 CCN(CC)Cc1ccc(cc1)C 2230a_100000724800_100000210814 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.145 CCN(CC)Cc1ccc(cc1)C 269956a_100000042499_100000210814 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.145 CCN(CC)Cc1ccc(cc1)C 269982a_100000180869_100000204670 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.145 CCN(CC)Cc1ccc(cc1)C 269982a_100000724800_100000210814 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.145 CCN(CC)Cc1ccc(cc1)C 270004a_100000724800_100000211033 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 2230a_100000180830_100000210202 [0,1,0,0,0,0|3,0,0]=4 256 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 2230a_100000724800_100000694040 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 269956a_100000042499_100000187161 [0,1,0,0,0,0|3,0,0]=4 258 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 269982a_100000180830_100000204670 [0,1,0,0,0,0|3,0,0]=4 259 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 269982a_100000724800_100000187161 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 270004a_100000724800_100000189385 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.145 CCN(CC)Cc1ccc(cc1)F 2230a_100000724800_100000198546 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.145 CCN(CC)Cc1ccc(cc1)F 2230a_100015183324_100000210202 [0,1,0,0,0,0|3,0,0]=4 263 B13R1.145 CCN(CC)Cc1ccc(cc1)F 269956a_100000042499_100000198546 [0,1,0,0,0,0|3,0,0]=4 264 B13R1.145 CCN(CC)Cc1ccc(cc1)F 269982a_100000724800_100000198546 [0,1,0,0,0,0|3,0,0]=4 265 B13R1.145 CCN(CC)Cc1ccc(cc1)F 269982a_100015183324_100000204670 [0,1,0,0,0,0|3,0,0]=4 266 B13R1.145 CCN(CC)Cc1ccc(cc1)F 270004a_100000724800_100000210084 [0,1,0,0,0,0|3,0,0]=4 267 B13R1.145 CCN(CC)Cc1ccc(cc1)F 34a_100015183324_100000210202 [0,1,0,0,0,0|3,0,0]=4 268 B13R1.145 CCN(CC)Cc1ccc(cc1)I 2230a_100000724800_100000189116 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.145 CCN(CC)Cc1ccc(cc1)I 269956a_100000042499_100000189116 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.145 CCN(CC)Cc1ccc(cc1)I 269982a_100000724800_100000189116 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.145 CCN(CC)Cc1ccc(cc1)O 269982a_100000748449_100000204670 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.145 CCN(CC)Cc1ccc(cc1)O 271570a_203496583355_200011356839 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 34a_100102657272_100000697087 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 7a_106832991635_100000697087 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200000210301 [0,1,0,0,0,0|3,0,0]=4 276 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,1,0,0,0,0|3,0,0]=4 277 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200000210301 [0,1,0,0,0,0|3,0,0]=4 278 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200000210301 [0,1,0,0,0,0|3,0,0]=4 279 B13R1.145 COC(C#N)Cc1ccc(cc1)C 34a_100138415774_100000697087 [0,1,0,0,0,0|2,0,0]=3 280 B13R1.145 CSC(C#N)Cc1ccc(cc1)C 62a_100000697087_200000210301 [0,1,0,0,0,0|2,1,0]=4 281 B13R1.145 CSC(C#N)Cc1ccc(cc1)C 62a_200000210301_100000697087 [0,1,0,0,0,0|2,1,0]=4 282 B13R1.145 Cc1ccc(cc1)CC(C#N)S[13CH3] 62a_100000697087_200025704644 [0,1,0,0,0,0|2,1,0]=4 283 B13R1.145 Cc1ccc(cc1)CC(C#N)S[13CH3] 62a_200025704644_100000697087 [0,1,0,0,0,0|2,1,0]=4 284 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200025704644 [0,1,0,0,0,0|3,0,0]=4 285 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200025704644 [0,1,0,0,0,0|3,0,0]=4 288 B13R1.146 CCC(CC)Oc1cccc(c1)Br 7a_100000210342_100000210505 [0,1,0,0,0,0|3,0,0]=4 289 B13R1.146 CCC(CC)Oc1cccc(c1)C 7a_100000210337_100000210505 [0,1,0,0,0,0|3,0,0]=4 290 B13R1.146 CCC(CC)Oc1cccc(c1)Cl 7a_100000210295_100000210505 [0,1,0,0,0,0|3,0,0]=4 291 B13R1.146 CCC(CC)Oc1cccc(c1)F 7a_100000210426_100000210505 [0,1,0,0,0,0|3,0,0]=4 292 B13R1.146 CCC(CC)Oc1cccc(c1)I 7a_100000211634_100000210505 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.146 CCC(CC)Sc1cccc(c1)Br 62a_100000210505_100000691529 [0,1,0,0,0,0|3,0,0]=4 294 B13R1.146 CCC(CC)Sc1cccc(c1)Br 62a_100000691529_100000210505 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.146 CCC(CC)Sc1cccc(c1)C 62a_100000210505_100011215228 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.146 CCC(CC)Sc1cccc(c1)C 62a_100011215228_100000210505 [0,1,0,0,0,0|3,0,0]=4 297 B13R1.146 CCC(CC)Sc1cccc(c1)Cl 62a_100000210505_100000699651 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.146 CCC(CC)Sc1cccc(c1)Cl 62a_100000699651_100000210505 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.146 CCC(CC)Sc1cccc(c1)F 62a_100000210505_100000685547 [0,1,0,0,0,0|3,0,0]=4 300 B13R1.146 CCC(CC)Sc1cccc(c1)F 62a_100000685547_100000210505 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.146 CCC(CC)Sc1cccc(c1)N 62a_100000210019_100000210505 [0,1,0,0,0,0|3,0,0]=4 302 B13R1.146 CCC(CC)Sc1cccc(c1)N 62a_100000210505_100000210019 [0,1,0,0,0,0|3,0,0]=4 303 B13R1.146 CCC(CC)Sc1cccc(c1)O 62a_100000210505_100000211634 [0,1,0,0,0,0|3,0,0]=4 304 B13R1.146 CCC(CC)Sc1cccc(c1)[S] 62a_100000210505_114929384022 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.146 CCC(CC)Sc1cccc(c1)[S] 62a_114929384022_100000210505 [0,1,0,0,0,0|3,0,0]=4 306 B13R1.146 CCN(CC)Cc1cccc(c1)Br 2230a_100000187426_100000210202 [0,1,0,0,0,0|3,0,0]=4 307 B13R1.146 CCN(CC)Cc1cccc(c1)Br 2230a_100000724800_100000698116 [0,1,0,0,0,0|3,0,0]=4 308 B13R1.146 CCN(CC)Cc1cccc(c1)Br 269956a_100000042499_100000211773 [0,1,0,0,0,0|3,0,0]=4 309 B13R1.146 CCN(CC)Cc1cccc(c1)Br 269982a_100000187426_100000204670 [0,1,0,0,0,0|3,0,0]=4 310 B13R1.146 CCN(CC)Cc1cccc(c1)Br 269982a_100000724800_100000211773 [0,1,0,0,0,0|3,0,0]=4 311 B13R1.146 CCN(CC)Cc1cccc(c1)Br 270004a_100000724800_100000210085 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.146 CCN(CC)Cc1cccc(c1)C 2230a_100000724800_100000211840 [0,1,0,0,0,0|3,0,0]=4 313 B13R1.146 CCN(CC)Cc1cccc(c1)C 2230a_102516607250_100000210202 [0,1,0,0,0,0|3,0,0]=4 314 B13R1.146 CCN(CC)Cc1cccc(c1)C 269956a_100000042499_100000005736 [0,1,0,0,0,0|3,0,0]=4 315 B13R1.146 CCN(CC)Cc1cccc(c1)C 269982a_100000724800_100000211840 [0,1,0,0,0,0|3,0,0]=4 316 B13R1.146 CCN(CC)Cc1cccc(c1)C 269982a_102516607250_100000204670 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.146 CCN(CC)Cc1cccc(c1)C 270004a_100000724800_100000211157 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 2230a_100000201194_100000210202 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 2230a_100000724800_100000181238 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 269956a_100000042499_100000187163 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 269982a_100000201194_100000204670 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 269982a_100000724800_100000181238 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 270004a_100000724800_100000210801 [0,1,0,0,0,0|3,0,0]=4 324 B13R1.146 CCN(CC)Cc1cccc(c1)F 2230a_100000195558_100000210202 [0,1,0,0,0,0|3,0,0]=4 325 B13R1.146 CCN(CC)Cc1cccc(c1)F 2230a_100000724800_100000230114 [0,1,0,0,0,0|3,0,0]=4 326 B13R1.146 CCN(CC)Cc1cccc(c1)F 269956a_100000042499_100000230114 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.146 CCN(CC)Cc1cccc(c1)F 269982a_100000195558_100000204670 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.146 CCN(CC)Cc1cccc(c1)F 269982a_100000724800_100000230114 [0,1,0,0,0,0|3,0,0]=4 329 B13R1.146 CCN(CC)Cc1cccc(c1)F 270004a_100000724800_100000210812 [0,1,0,0,0,0|3,0,0]=4 330 B13R1.146 CCN(CC)Cc1cccc(c1)F 34a_100000195558_100000210202 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.146 CCN(CC)Cc1cccc(c1)I 2230a_100000724800_100011218688 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.146 CCN(CC)Cc1cccc(c1)I 269956a_100000042499_100011218688 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.146 CCN(CC)Cc1cccc(c1)I 269982a_100000724800_100011218688 [0,1,0,0,0,0|3,0,0]=4 334 B13R1.146 CCN(CC)Cc1cccc(c1)I 270004a_100000724800_100000014684 [0,1,0,0,0,0|3,0,0]=4 335 B13R1.146 CCN(CC)Cc1cccc(c1)O 2230a_100000201218_100000210202 [0,1,0,0,0,0|3,0,0]=4 336 B13R1.146 CCN(CC)Cc1cccc(c1)O 2230a_100000724800_100011660834 [0,1,0,0,0,0|3,0,0]=4 337 B13R1.146 CCN(CC)Cc1cccc(c1)O 269956a_100000042499_100011660834 [0,1,0,0,0,0|3,0,0]=4 338 B13R1.146 CCN(CC)Cc1cccc(c1)O 269982a_100000201218_100000204670 [0,1,0,0,0,0|3,0,0]=4 339 B13R1.146 CCN(CC)Cc1cccc(c1)O 269982a_100000724800_100000084143 [0,1,0,0,0,0|3,0,0]=4 340 B13R1.146 CCN(CC)Cc1cccc(c1)O 270004a_100000724800_100000188321 [0,1,0,0,0,0|3,0,0]=4 341 B13R1.146 CNC(CO)Cc1cccc(c1)Br 2230a_114802770106_200000210301 [0,1,0,0,0,0|3,0,0]=4 342 B13R1.146 CNC(CO)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,1,0,0,0,0|3,0,0]=4 343 B13R1.146 CNC(CO)Cc1cccc(c1)C 2230a_100000716799_200000210301 [0,1,0,0,0,0|3,0,0]=4 344 B13R1.146 CNC(CO)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,1,0,0,0,0|3,0,0]=4 345 B13R1.146 CNC(CO)Cc1cccc(c1)F 2230a_200012000099_200000210301 [0,1,0,0,0,0|3,0,0]=4 346 B13R1.146 CNC(CO)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,1,0,0,0,0|3,0,0]=4 347 B13R1.146 Cc1cccc(c1)CC(CO)N[13CH3] 2230a_100000716799_200025704644 [0,1,0,0,0,0|3,0,0]=4 348 B13R1.146 Cc1cccc(c1)CC(CO)N[13CH3] 34a_100000716799_200025704644 [0,1,0,0,0,0|3,0,0]=4 349 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)Br 2230a_114802770106_200025704644 [0,1,0,0,0,0|3,0,0]=4 350 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)F 2230a_200012000099_200025704644 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,1,0,0,0,0|3,0,0]=4 353 B13R1.335 CCC(CC)Oc1ccccc1Br 7a_100000181306_100000210505 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.335 CCC(CC)Oc1ccccc1C 7a_100000210338_100000210505 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.335 CCC(CC)Oc1ccccc1Cl 7a_100000210172_100000210505 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.335 CCC(CC)Oc1ccccc1F 7a_100000210171_100000210505 [0,1,0,0,0,0|3,0,0]=4 357 B13R1.335 CCC(CC)Oc1ccccc1I 7a_100000739446_100000210505 [0,1,0,0,0,0|3,0,0]=4 358 B13R1.335 CCC(CC)Oc1ccccc1N 7a_100000185747_100000210505 [0,1,0,0,0,0|3,0,0]=4 359 B13R1.335 CCC(CC)Sc1ccccc1Br 62a_100000210505_100000695589 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.335 CCC(CC)Sc1ccccc1Br 62a_100000695589_100000210505 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.335 CCC(CC)Sc1ccccc1C 62a_100000210505_100000210755 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.335 CCC(CC)Sc1ccccc1C 62a_100000210755_100000210505 [0,1,0,0,0,0|3,0,0]=4 363 B13R1.335 CCC(CC)Sc1ccccc1Cl 62a_100000210505_100000764095 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.335 CCC(CC)Sc1ccccc1Cl 62a_100000764095_100000210505 [0,1,0,0,0,0|3,0,0]=4 365 B13R1.335 CCC(CC)Sc1ccccc1F 62a_100000210505_100011215700 [0,1,0,0,0,0|3,0,0]=4 366 B13R1.335 CCC(CC)Sc1ccccc1F 62a_100011215700_100000210505 [0,1,0,0,0,0|3,0,0]=4 367 B13R1.335 CCC(CC)Sc1ccccc1N 62a_100000210017_100000210505 [0,1,0,0,0,0|3,0,0]=4 368 B13R1.335 CCC(CC)Sc1ccccc1N 62a_100000210505_100000210017 [0,1,0,0,0,0|3,0,0]=4 369 B13R1.335 CCC(CC)Sc1ccccc1O 62a_100000210505_100000739446 [0,1,0,0,0,0|3,0,0]=4 370 B13R1.335 CCC(CC)Sc1ccccc1O 62a_100000739446_100000210505 [0,1,0,0,0,0|3,0,0]=4 371 B13R1.335 CCN(CC)Cc1ccccc1Br 2230a_100000724800_100000184730 [0,1,0,0,0,0|3,0,0]=4 372 B13R1.335 CCN(CC)Cc1ccccc1Br 269956a_100000042499_100000184730 [0,1,0,0,0,0|3,0,0]=4 373 B13R1.335 CCN(CC)Cc1ccccc1Br 269982a_100000724800_100000184730 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.335 CCN(CC)Cc1ccccc1Br 270004a_100000724800_100000211189 [0,1,0,0,0,0|3,0,0]=4 375 B13R1.335 CCN(CC)Cc1ccccc1C 2230a_100000201206_100000210202 [0,1,0,0,0,0|3,0,0]=4 376 B13R1.335 CCN(CC)Cc1ccccc1C 2230a_100000724800_100000211839 [0,1,0,0,0,0|3,0,0]=4 377 B13R1.335 CCN(CC)Cc1ccccc1C 269956a_100000042499_100000211750 [0,1,0,0,0,0|3,0,0]=4 378 B13R1.335 CCN(CC)Cc1ccccc1C 269982a_100000201206_100000204670 [0,1,0,0,0,0|3,0,0]=4 379 B13R1.335 CCN(CC)Cc1ccccc1C 269982a_100000724800_100000211839 [0,1,0,0,0,0|3,0,0]=4 380 B13R1.335 CCN(CC)Cc1ccccc1C 270004a_100000724800_100000211143 [0,1,0,0,0,0|3,0,0]=4 381 B13R1.335 CCN(CC)Cc1ccccc1Cl 2230a_100000201176_100000210202 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.335 CCN(CC)Cc1ccccc1Cl 2230a_100000724800_100000187162 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.335 CCN(CC)Cc1ccccc1Cl 269956a_100000042499_100000187162 [0,1,0,0,0,0|3,0,0]=4 384 B13R1.335 CCN(CC)Cc1ccccc1Cl 269982a_100000201176_100000204670 [0,1,0,0,0,0|3,0,0]=4 385 B13R1.335 CCN(CC)Cc1ccccc1Cl 269982a_100000724800_100000187162 [0,1,0,0,0,0|3,0,0]=4 386 B13R1.335 CCN(CC)Cc1ccccc1Cl 270004a_100000724800_100000210073 [0,1,0,0,0,0|3,0,0]=4 387 B13R1.335 CCN(CC)Cc1ccccc1F 2230a_100000724800_100000211605 [0,1,0,0,0,0|3,0,0]=4 388 B13R1.335 CCN(CC)Cc1ccccc1F 2230a_100015186831_100000210202 [0,1,0,0,0,0|3,0,0]=4 389 B13R1.335 CCN(CC)Cc1ccccc1F 269956a_100000042499_100000187165 [0,1,0,0,0,0|3,0,0]=4 390 B13R1.335 CCN(CC)Cc1ccccc1F 269982a_100000724800_100000211605 [0,1,0,0,0,0|3,0,0]=4 391 B13R1.335 CCN(CC)Cc1ccccc1F 269982a_100015186831_100000204670 [0,1,0,0,0,0|3,0,0]=4 392 B13R1.335 CCN(CC)Cc1ccccc1F 270004a_100000724800_100000210811 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.335 CCN(CC)Cc1ccccc1F 34a_100015186831_100000210202 [0,1,0,0,0,0|3,0,0]=4 394 B13R1.335 CCN(CC)Cc1ccccc1I 2230a_100000724800_100011215278 [0,1,0,0,0,0|3,0,0]=4 395 B13R1.335 CCN(CC)Cc1ccccc1I 269956a_100000042499_100011216222 [0,1,0,0,0,0|3,0,0]=4 396 B13R1.335 CCN(CC)Cc1ccccc1I 269982a_100000724800_100011215278 [0,1,0,0,0,0|3,0,0]=4 397 B13R1.335 CCN(CC)Cc1ccccc1I 270004a_100000724800_100000010305 [0,1,0,0,0,0|3,0,0]=4 398 B13R1.335 CCN(CC)Cc1ccccc1O 2230a_100011223546_100000210202 [0,1,0,0,0,0|3,0,0]=4 399 B13R1.335 CCN(CC)Cc1ccccc1O 269982a_100011223546_100000204670 [0,1,0,0,0,0|3,0,0]=4 400 B13R1.335 CNC(CO)Cc1ccccc1Cl 2230a_100012001541_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B13R1.335 CNC(CO)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,1,0,0,0,0|3,0,0]=4 402 B13R1.335 [13CH3]NC(CO)Cc1ccccc1Cl 2230a_100012001541_200025704644 [0,1,0,0,0,0|3,0,0]=4 403 B13R1.335 [13CH3]NC(CO)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,1,0,0,0,0|3,0,0]=4 404 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000070787_100000183401 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200000210301 [0,1,0,0,0,0|3,0,0]=4 406 B13R1.418 CCC(Cc1ccccc1)N(C)C 270004a_100102631434_100000212045 [0,1,0,0,0,0|2,0,0]=3 407 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,1,0,0,0,0|3,0,0]=4 409 B13R1.418 CCC(Sc1ccccc1)C(=O)C 1458a_100000230495_200000210301 [0,1,0,0,0,0|3,0,0]=4 410 B13R1.418 CCC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000230495_200025704644 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.418 CCN(Cc1ccccc1)C(=O)C 11a_100000186914_100015343762 [0,1,0,0,0,0|3,0,0]=4 412 B13R1.418 CCN(Cc1ccccc1)C(=O)C 1626a_100000186914_100015343762 [0,1,0,0,0,0|3,0,0]=4 413 B13R1.418 CCN(Cc1ccccc1)C(=O)C 240690a_100000186914_100015343762 [0,1,0,0,0,0|3,0,0]=4 414 B13R1.418 CCN(Cc1ccccc1)C(=O)C 527a_100000186914_100103153847 [0,1,0,0,0,0|3,0,0]=4 415 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000068392_100000210202 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000186914_100000210206 [0,1,0,0,0,0|3,0,0]=4 417 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000223864_100015291786 [0,1,0,0,0,0|3,0,0]=4 418 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000068392_100000204670 [0,1,0,0,0,0|3,0,0]=4 419 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000186914_100000210206 [0,1,0,0,0,0|3,0,0]=4 420 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000223864_100000211182 [0,1,0,0,0,0|3,0,0]=4 421 B13R1.418 CCN(Cc1ccccc1)C(C)C 270004a_100000223864_100015611070 [0,1,0,0,0,0|3,0,0]=4 422 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_200000210301 [0,1,0,0,0,0|3,0,0]=4 423 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_200000210301 [0,1,0,0,0,0|3,0,0]=4 424 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 2230a_100016995599_200025704644 [0,1,0,0,0,0|3,0,0]=4 425 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 269982a_100016995599_200025704644 [0,1,0,0,0,0|3,0,0]=4 426 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,1,0,0,0,0|3,0,0]=4 427 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,1,0,0,0,0|3,0,0]=4 428 B13R1.418 CNC(Cc1ccccc1)C(C)C 270004a_106832991635_200000703227 [0,1,0,0,0,0|2,0,0]=3 429 B13R1.418 [13CH3]C(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200025704644 [0,1,0,0,0,0|3,0,0]=4 430 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.3080 CCC(C)(CC)Oc1ccccc1 7a_100000210340_100009817345 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.3080 CCC(C)(CC)Sc1ccccc1 62a_100000719477_100009817345 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.3080 CCC(C)(CC)Sc1ccccc1 62a_100009817345_100000041952 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.3080 CCC(C)(Cc1ccccc1)OC 7a_100011346069_200000210301 [0,1,0,0,0,0|1,0,0]=2 436 B13R1.3080 CCC(C)(Cc1ccccc1)O[13CH3] 7a_100011346069_200025704644 [0,1,0,0,0,0|1,0,0]=2 437 B11R0.72 C/C=C/CC(=O)CC(OC)OC 1458a_100000082724_100102629194 [0,0,1,0,0,0|1,0,2]=4 438 B11R0.72 C=CC=CC(=O)CC(CC)CC 1458a_100016291481_100011215472 [0,0,1,0,0,0|3,0,0]=4 439 B11R0.72 C=CC=CC(=O)CC(OC)OC 1458a_100016291481_100000751394 [0,0,1,0,0,0|1,0,0]=2 440 B11R0.72 C=CCCC(=O)CC(OC)OC 1458a_100000082724_100000754431 [0,0,1,0,0,0|1,0,2]=4 441 B11R0.72 C=CCCC(=O)CC(OC)OC 1458a_100000749702_100000751394 [0,0,1,0,0,0|1,0,2]=4 442 B11R0.72 C=CCNC(=O)CC(OC)OC 1626a_100020586998_100000082724 [0,0,1,0,0,0|2,0,1]=4 443 B11R0.72 C=CCNC(=O)CC(OC)OC 240690a_100020586998_100000082724 [0,0,1,0,0,0|2,0,1]=4 444 B11R0.72 C=CCNC(=O)CC(OC)OC 527a_100020586998_100000082724 [0,0,1,0,0,0|2,0,1]=4 445 B11R0.72 CC=CCC(=O)CC(OC)OC 1458a_100000082724_100000070051 [0,0,1,0,0,0|1,0,2]=4 446 B11R0.72 CC=CCC(=O)CC(OC)OC 1458a_100121576822_100000751394 [0,0,1,0,0,0|1,0,2]=4 447 B11R0.72 CCC=CC(=O)CC(OC)OC 1458a_100000212282_100000751394 [0,0,1,0,0,0|1,0,2]=4 448 B11R0.72 COC=CC(=O)CC(OC)OC 1458a_100016268678_100000751394 [0,0,1,0,0,0|2,0,1]=4 449 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,0,0,1,0,0|3,0,0]=4 450 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,0,0,1,0,0|3,0,0]=4 451 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,0,0,1,0,0|3,0,0]=4 452 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,0,0,1,0,0|3,0,0]=4 453 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,0,0,1,0,0|2,0,0]=3 454 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,0,0,1,0,0|1,0,2]=4 455 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,0,0,1,0,0|2,1,0]=4 456 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,0,0,1,0,0|2,1,0]=4 457 B13R2.45 CSC1Cc2ccccc2C1O 62a_100000211646_200000210301 [0,0,0,1,0,0|2,1,0]=4 458 B13R2.45 CSC1Cc2ccccc2C1O 62a_200000210301_100000211646 [0,0,0,1,0,0|2,1,0]=4 459 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,0,0,1,0,0|1,0,2]=4 460 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,0,0,1,0,0|2,1,0]=4 461 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,0,0,1,0,0|2,1,0]=4 462 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_100000211646_200025704644 [0,0,0,1,0,0|2,1,0]=4 463 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_200025704644_100000211646 [0,0,0,1,0,0|2,1,0]=4 464 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,0,0,1,0,0|3,0,0]=4 465 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,0,0,1,0,0|3,0,0]=4 466 B13R2.57 CCN1CCc2ccccc2C1 2230a_100000188457_100000210202 [0,0,0,1,0,0|3,0,0]=4 467 B13R2.57 CCN1CCc2ccccc2C1 269982a_100000188457_100000204670 [0,0,0,1,0,0|3,0,0]=4 468 B13R2.57 CCN1CCc2ccccc2C1 34a_100000188457_100000210202 [0,0,0,1,0,0|3,0,0]=4 469 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,0,0,1,0,0|2,0,0]=3 470 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,0,0,1,0,0|2,0,0]=3 471 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,0,0,1,0,0|2,0,0]=3 472 B13R2.57 CNC1COc2ccccc2C1 2230a_100000739546_200000210301 [0,0,0,1,0,0|3,0,0]=4 473 B13R2.57 CNC1COc2ccccc2C1 270004a_106832991635_100000048293 [0,0,0,1,0,0|3,0,0]=4 474 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,0,0,1,0,0|1,0,0]=2 475 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,0,0,1,0,0|1,0,0]=2 476 B13R2.57 COC1Cc2ccccc2CO1 34a_200000095866_200000210301 [0,0,0,1,0,0|0,0,0]=1 477 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,0,0,1,0,0|2,0,0]=3 478 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,0,0,1,0,0|2,0,0]=3 479 B13R2.57 [13CH3]NC1COc2ccccc2C1 2230a_100000739546_200025704644 [0,0,0,1,0,0|3,0,0]=4 480 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,0,0,1,0,0|1,0,0]=2 481 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,0,0,1,0,0|1,0,0]=2 482 B13R2.57 [13CH3]OC1Cc2ccccc2CO1 34a_200000095866_200025704644 [0,0,0,1,0,0|0,0,0]=1 483 B13R2.64 c1ccc(cc1)CN2CCCC2 2230a_100000188435_100015291786 [0,0,0,1,0,0|3,0,0]=4 484 B13R2.64 c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000211182 [0,0,0,1,0,0|3,0,0]=4 485 B13R2.64 c1ccc(cc1)CN2CCCC2 270004a_100000188435_100015611070 [0,0,0,1,0,0|3,0,0]=4 486 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,0,0,1,0,0|3,0,0]=4 487 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,0,0,1,0,0|3,0,0]=4 488 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,0,0,1,0,0|3,0,0]=4 489 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,0,0,1,0,0|3,0,0]=4 490 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,0,0,1,0,0|3,0,0]=4 491 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,0,0,0,1,0|1,0,1]=3 492 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,0,0,0,1,0|1,0,1]=3 493 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,0,0,0,1,0|1,0,1]=3 494 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,0,0,0,1,0|1,0,1]=3 495 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,0,0,0,1,0|2,0,1]=4 496 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,0,0,0,1,0|1,0,1]=3 497 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,0,0,0,1,0|1,0,1]=3 498 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,0,0,0,1,0|1,0,1]=3 499 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,0,0,0,1,0|1,0,1]=3 500 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,0,0,0,1,0|1,1,1]=4 501 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,0,0,0,1,0|1,1,1]=4 502 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,0,0,0,1,0|1,1,1]=4 503 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,0,0,0,1,0|1,1,1]=4 504 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,0,0,0,1,0|2,0,0]=3 505 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,0,0,0,1,0|2,0,0]=3 506 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,0,0,0,1,0|3,0,0]=4 507 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,0,0,0,1,0|3,0,0]=4 508 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,0,0,0,1,0|3,0,0]=4 509 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,0,0,0,1,0|3,0,0]=4 510 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [0,0,0,0,1,0|3,0,0]=4 511 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,0,0,0,1,0|2,0,0]=3 512 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,0,0,0,1,0|3,0,0]=4 513 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,0,0,0,1,0|3,0,0]=4 514 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,0,0,0,1,0|1,0,0]=2 515 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,0,0,0,1,0|1,0,0]=2 516 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,0,0,0,1,0|1,0,0]=2 517 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,0,0,0,1,0|1,0,0]=2 518 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [0,0,0,0,1,0|3,0,0]=4 519 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [0,0,0,0,1,0|3,0,0]=4 520 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [0,0,0,0,1,0|3,0,0]=4 521 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,0,0,0,1,0|3,0,0]=4 522 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,0,0,0,1,0|3,0,0]=4 523 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,0,0,0,1,0|2,0,0]=3 524 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,0,0,0,1,0|2,0,0]=3 525 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,0,0,0,1,0|2,0,0]=3 526 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,0,0,0,1,0|2,0,0]=3 527 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,0,0,0,1,0|2,0,0]=3 528 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,0,0,0,1,0|3,0,0]=4 529 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,0,0,0,1,0|3,0,0]=4 530 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,0,0,0,1,0|2,0,0]=3 531 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,0,0,0,1,0|2,0,0]=3 532 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,0,0,0,1,0|2,0,0]=3 533 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,0,0,0,1,0|2,0,0]=3 534 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,0,0,0,1,0|2,0,0]=3 535 B11R1.84 CCC(Cc1ccco1)NC 270004a_106832991635_200011996595 [0,0,0,0,1,0|3,0,0]=4 536 B13R1.417 C#CC(CC)OCc1ccccc1 34a_100000758843_100015291786 [0,0,0,0,0,1|2,0,1]=4 537 B13R1.417 C#CC(CC)OCc1ccccc1 7a_100000758843_100000211182 [0,0,0,0,0,1|2,0,1]=4 538 B13R1.417 C=CC(CC)OCc1ccccc1 34a_100000766422_100015291786 [0,0,0,0,0,1|2,0,1]=4 539 B13R1.417 C=CC(CC)OCc1ccccc1 7a_100000766422_100000211182 [0,0,0,0,0,1|2,0,1]=4 540 B13R1.417 CCC(C#Cc1ccccc1)OC 34a_200000065154_200000210301 [0,0,0,0,0,1|1,0,1]=3 541 B13R1.417 CCC(C#Cc1ccccc1)OC 7a_200000065154_200000210301 [0,0,0,0,0,1|1,0,1]=3 542 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 34a_200000065154_200025704644 [0,0,0,0,0,1|1,0,1]=3 543 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 7a_200000065154_200025704644 [0,0,0,0,0,1|1,0,1]=3 544 B13R1.417 CCC(CC)CNc1ccccc1 34a_100000106764_100011215472 [0,0,0,0,0,1|2,0,0]=3 545 B13R1.417 CCC(CC)COc1ccccc1 34a_100000210340_100011215472 [0,0,0,0,0,1|2,0,0]=3 546 B13R1.417 CCC(CC)COc1ccccc1 7a_100000210340_100011215472 [0,0,0,0,0,1|2,0,0]=3 547 B13R1.417 CCC(CC)COc1cccnc1 34a_100000210849_100011215472 [0,0,0,0,0,1|3,0,0]=4 548 B13R1.417 CCC(CC)COc1cccnc1 7a_100000210849_100011215472 [0,0,0,0,0,1|3,0,0]=4 549 B13R1.417 CCC(CC)COc1ccncc1 34a_100000212176_100011215472 [0,0,0,0,0,1|3,0,0]=4 550 B13R1.417 CCC(CC)CSc1ccccc1 62a_100000719477_100011215472 [0,0,0,0,0,1|2,0,0]=3 551 B13R1.417 CCC(CC)CSc1ccccc1 62a_100011215472_100000041952 [0,0,0,0,0,1|2,0,0]=3 552 B13R1.417 CCC(CC)CSc1ccccn1 62a_100011215472_100011216584 [0,0,0,0,0,1|3,0,0]=4 553 B13R1.417 CCC(CC)CSc1ccccn1 62a_100011216584_100011215472 [0,0,0,0,0,1|3,0,0]=4 554 B13R1.417 CCC(CC)CSc1cccnc1 62a_100000210063_100011215472 [0,0,0,0,0,1|3,0,0]=4 555 B13R1.417 CCC(CC)CSc1cccnc1 62a_100011215472_100000210063 [0,0,0,0,0,1|3,0,0]=4 556 B13R1.417 CCC(CC)CSc1ccncc1 62a_100000728582_100011215472 [0,0,0,0,0,1|3,0,0]=4 557 B13R1.417 CCC(CC)CSc1ccncc1 62a_100011215472_100000728582 [0,0,0,0,0,1|3,0,0]=4 558 B13R1.417 CCC(CC)NCc1ccccc1 207a_100000199018_100015611070 [0,0,0,0,0,1|2,0,0]=3 559 B13R1.417 CCC(CC)NCc1ccccc1 2230a_100000199018_100015291786 [0,0,0,0,0,1|2,0,0]=3 560 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100000199018_100015611070 [0,0,0,0,0,1|2,0,0]=3 561 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100015324214_100000210860 [0,0,0,0,0,1|2,0,0]=3 562 B13R1.417 CCC(CC)NCc1ccccn1 207a_100000199018_100000209966 [0,0,0,0,0,1|3,0,0]=4 563 B13R1.417 CCC(CC)NCc1ccccn1 2230a_100000199018_100000721315 [0,0,0,0,0,1|3,0,0]=4 564 B13R1.417 CCC(CC)NCc1ccccn1 270004a_100000199018_100000209966 [0,0,0,0,0,1|3,0,0]=4 565 B13R1.417 CCC(CC)NCc1ccccn1 270004a_100000210449_100000210860 [0,0,0,0,0,1|3,0,0]=4 566 B13R1.417 CCC(CC)NCc1cccnc1 207a_100000199018_100000209961 [0,0,0,0,0,1|3,0,0]=4 567 B13R1.417 CCC(CC)NCc1cccnc1 2230a_100000199018_100000741622 [0,0,0,0,0,1|3,0,0]=4 568 B13R1.417 CCC(CC)NCc1cccnc1 270004a_100000199018_100000209961 [0,0,0,0,0,1|3,0,0]=4 569 B13R1.417 CCC(CC)NCc1cccnc1 270004a_100000210453_100000210860 [0,0,0,0,0,1|3,0,0]=4 570 B13R1.417 CCC(CC)NCc1ccncc1 207a_100000199018_100000186114 [0,0,0,0,0,1|3,0,0]=4 571 B13R1.417 CCC(CC)NCc1ccncc1 2230a_100000199018_100015193705 [0,0,0,0,0,1|3,0,0]=4 572 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000210790_100000210505 [0,0,0,0,0,1|2,0,0]=3 573 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000688536_100000211182 [0,0,0,0,0,1|2,0,0]=3 574 B13R1.417 CCC(CC)OCc1ccccn1 7a_100000688536_100000721315 [0,0,0,0,0,1|3,0,0]=4 575 B13R1.417 CCC(CC)OCc1cccnc1 7a_100000688536_100000741622 [0,0,0,0,0,1|3,0,0]=4 576 B13R1.417 CCC(CC)OCc1ccncc1 7a_100000688536_100015193705 [0,0,0,0,0,1|3,0,0]=4 577 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000210505_100015291786 [0,0,0,0,0,1|2,0,0]=3 578 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000211182_100000210505 [0,0,0,0,0,1|2,0,0]=3 579 B13R1.417 CCC(CC)SCc1ccccn1 62a_100000210505_100000721315 [0,0,0,0,0,1|3,0,0]=4 580 B13R1.417 CCC(CC)SCc1ccccn1 62a_100000721315_100000210505 [0,0,0,0,0,1|3,0,0]=4 581 B13R1.417 CCC(CC)SCc1cccnc1 62a_100000210505_100000741622 [0,0,0,0,0,1|3,0,0]=4 582 B13R1.417 CCC(CC)SCc1cccnc1 62a_100000741622_100000210505 [0,0,0,0,0,1|3,0,0]=4 583 B13R1.417 CCC(CC)SCc1ccncc1 62a_100000210505_100015193705 [0,0,0,0,0,1|3,0,0]=4 584 B13R1.417 CCC(CC)SCc1ccncc1 62a_100015193705_100000210505 [0,0,0,0,0,1|3,0,0]=4 585 B13R1.417 CCC(CCc1ccccc1)NC 270004a_106832991635_100011279265 [0,0,0,0,0,1|2,0,0]=3 586 B13R1.417 CCC(CNc1cccnn1)OC 27a_100000731041_100016991348 [0,0,0,0,0,1|3,0,0]=4 587 B13R1.417 CCC(CNc1ccncn1)OC 27a_100000731041_100000703185 [0,0,0,0,0,1|3,0,0]=4 588 B13R1.417 CCC(CNc1cnccn1)OC 27a_100000731041_100000211759 [0,0,0,0,0,1|3,0,0]=4 589 B13R1.417 CCC(CNc1ncccn1)OC 27a_100000731041_100000211032 [0,0,0,0,0,1|3,0,0]=4 590 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000724800_100000765856 [0,0,0,0,0,1|3,0,0]=4 591 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000741020_100000210202 [0,0,0,0,0,1|3,0,0]=4 592 B13R1.417 CCN(CC)CCc1ccccc1 269956a_100000042499_100000765856 [0,0,0,0,0,1|3,0,0]=4 593 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000724800_100000765856 [0,0,0,0,0,1|3,0,0]=4 594 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000741020_100000204670 [0,0,0,0,0,1|3,0,0]=4 595 B13R1.417 CCN(CC)CSc1ccccc1 2230a_100000724800_100011218342 [0,0,0,0,0,1|3,0,0]=4 596 B13R1.417 CCN(CC)CSc1ccccc1 269956a_100000042499_100011218342 [0,0,0,0,0,1|3,0,0]=4 597 B13R1.417 CCN(CC)CSc1ccccc1 269982a_100000724800_100011218342 [0,0,0,0,0,1|3,0,0]=4 598 B13R1.417 CC[C@@H](CO)NCc1ccccc1 207a_100000709445_100015611070 [0,0,0,0,0,1|3,0,0]=4 599 B13R1.417 CC[C@@H](CO)NCc1ccccc1 2230a_100000709445_100015291786 [0,0,0,0,0,1|3,0,0]=4 600 B13R1.417 CC[C@@H](CO)NCc1ccccc1 270004a_100000709445_100015611070 [0,0,0,0,0,1|3,0,0]=4 601 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [0,0,0,0,0,1|2,0,0]=3 602 B13R1.417 COC(CNc1ccccc1)OC 34a_100000106764_100000211822 [0,0,0,0,0,1|0,0,0]=1 603 B13R1.417 COC(COc1ccccc1)OC 34a_100000210340_100000211822 [0,0,0,0,0,1|0,0,0]=1 604 B13R1.417 COC(COc1ccccc1)OC 7a_100000210340_100000751394 [0,0,0,0,0,1|0,0,0]=1 605 B13R1.417 COC(COc1cccnc1)OC 34a_100000210849_100000211822 [0,0,0,0,0,1|1,0,0]=2 606 B13R1.417 COC(COc1cccnc1)OC 7a_100000210849_100000751394 [0,0,0,0,0,1|1,0,0]=2 607 B13R1.417 COC(COc1ccncc1)OC 34a_100000212176_100000211822 [0,0,0,0,0,1|1,0,0]=2 608 B13R1.417 COC(COc1ccnnc1)OC 34a_100015204005_100000211822 [0,0,0,0,0,1|2,0,0]=3 609 B13R1.417 COC(COc1cncnc1)OC 7a_100000754086_100000751394 [0,0,0,0,0,1|2,0,0]=3 610 B13R1.417 COC(CSc1ccccc1)OC 62a_100000719477_100000751394 [0,0,0,0,0,1|0,0,0]=1 611 B13R1.417 COC(CSc1ccccc1)OC 62a_100000751394_100000041952 [0,0,0,0,0,1|0,0,0]=1 612 B13R1.417 COC(CSc1ccccn1)OC 62a_100000751394_100011216584 [0,0,0,0,0,1|1,0,0]=2 613 B13R1.417 COC(CSc1ccccn1)OC 62a_100011216584_100000751394 [0,0,0,0,0,1|1,0,0]=2 614 B13R1.417 COC(CSc1cccnc1)OC 62a_100000210063_100000751394 [0,0,0,0,0,1|1,0,0]=2 615 B13R1.417 COC(CSc1cccnc1)OC 62a_100000751394_100000210063 [0,0,0,0,0,1|1,0,0]=2 616 B13R1.417 COC(CSc1cccnn1)OC 62a_100000751394_100016991348 [0,0,0,0,0,1|2,0,0]=3 617 B13R1.417 COC(CSc1cccnn1)OC 62a_100016991348_100000751394 [0,0,0,0,0,1|2,0,0]=3 618 B13R1.417 COC(CSc1ccncc1)OC 62a_100000728582_100000751394 [0,0,0,0,0,1|1,0,0]=2 619 B13R1.417 COC(CSc1ccncc1)OC 62a_100000751394_100000728582 [0,0,0,0,0,1|1,0,0]=2 620 B13R1.417 COC(CSc1ccncn1)OC 62a_100000703185_100000751394 [0,0,0,0,0,1|2,0,0]=3 621 B13R1.417 COC(CSc1ccncn1)OC 62a_100000751394_100000703185 [0,0,0,0,0,1|2,0,0]=3 622 B13R1.417 COC(CSc1ccnnc1)OC 62a_100000732662_100000751394 [0,0,0,0,0,1|2,0,0]=3 623 B13R1.417 COC(CSc1ccnnc1)OC 62a_100000751394_100000732662 [0,0,0,0,0,1|2,0,0]=3 624 B13R1.417 COC(CSc1cnccn1)OC 62a_100000211759_100000751394 [0,0,0,0,0,1|2,0,0]=3 625 B13R1.417 COC(CSc1cnccn1)OC 62a_100000751394_100000211759 [0,0,0,0,0,1|2,0,0]=3 626 B13R1.417 COC(CSc1cncnc1)OC 62a_100000751394_100011206942 [0,0,0,0,0,1|2,0,0]=3 627 B13R1.417 COC(CSc1cncnc1)OC 62a_100011206942_100000751394 [0,0,0,0,0,1|2,0,0]=3 628 B13R1.417 COC(CSc1cnnnc1)OC 62a_100000751394_100009846058 [0,0,0,0,0,1|3,0,0]=4 629 B13R1.417 COC(CSc1cnnnc1)OC 62a_100009846058_100000751394 [0,0,0,0,0,1|3,0,0]=4 630 B13R1.417 COC(CSc1ncccn1)OC 62a_100000211032_100000751394 [0,0,0,0,0,1|2,0,0]=3 631 B13R1.417 COC(CSc1ncccn1)OC 62a_100000751394_100000211032 [0,0,0,0,0,1|2,0,0]=3 632 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [0,0,0,0,0,1|2,0,0]=3 633 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [1,0,1,0,0,0|2,0,0]=4 634 B10R0.18 C=CC=CC(=O)CC(O)CC 1458a_100016291481_100011218378 [1,0,1,0,0,0|2,0,0]=4 635 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [1,0,1,0,0,0|2,0,0]=4 636 B10R0.34 C=CCC(=O)CC(OC)OC 1458a_100000082724_100000210623 [1,0,1,0,0,0|1,0,1]=4 637 B10R0.34 C=CCC(=O)CC(OC)OC 1458a_100000210193_100000751394 [1,0,1,0,0,0|1,0,1]=4 638 B10R0.34 CC=CC(=O)CC(OC)OC 1458a_100000210699_100000751394 [1,0,1,0,0,0|1,0,1]=4 639 B10R0.34 COC(CC(=O)C=CBr)OC 1458a_100016273825_100000751394 [1,0,1,0,0,0|2,0,0]=4 640 B10R0.34 COC(CC(=O)C=CCl)OC 1458a_200016279998_100000751394 [1,0,1,0,0,0|2,0,0]=4 641 B10R0.34 COC(CC(=O)C=CI)OC 1458a_100016256311_100000751394 [1,0,1,0,0,0|2,0,0]=4 642 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|1,0,0]=3 643 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [2,0,0,0,0,0|2,0,0]=4 644 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [2,0,0,0,0,0|2,0,0]=4 645 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [2,0,0,0,0,0|2,0,0]=4 646 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [2,0,0,0,0,0|2,0,0]=4 647 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [2,0,0,0,0,0|2,0,0]=4 648 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [2,0,0,0,0,0|2,0,0]=4 649 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [2,0,0,0,0,0|2,0,0]=4 650 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [2,0,0,0,0,0|2,0,0]=4 651 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|2,0,0]=4 652 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|2,0,0]=4 653 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|2,0,0]=4 654 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|2,0,0]=4 655 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|2,0,0]=4 656 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|2,0,0]=4 657 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|2,0,0]=4 658 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|2,0,0]=4 659 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [2,0,0,0,0,0|2,0,0]=4 660 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [2,0,0,0,0,0|2,0,0]=4 661 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|1,0,0]=3 662 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|1,0,0]=3 663 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|1,0,0]=3 664 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|1,0,0]=3 665 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|1,0,0]=3 666 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [2,0,0,0,0,0|2,0,0]=4 667 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [2,0,0,0,0,0|2,0,0]=4 668 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [2,0,0,0,0,0|2,0,0]=4 669 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [2,0,0,0,0,0|2,0,0]=4 670 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [2,0,0,0,0,0|2,0,0]=4 671 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [2,0,0,0,0,0|2,0,0]=4 672 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [2,0,0,0,0,0|2,0,0]=4 673 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [2,0,0,0,0,0|2,0,0]=4 674 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|0,0,0]=2 675 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|0,0,0]=2 676 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|0,0,0]=2 677 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [2,0,0,0,0,0|1,0,0]=3 678 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [2,0,0,0,0,0|1,0,0]=3 679 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [2,0,0,0,0,0|1,0,0]=3 680 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [2,0,0,0,0,0|2,0,0]=4 681 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [2,0,0,0,0,0|2,0,0]=4 682 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [2,0,0,0,0,0|1,0,0]=3 683 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [2,0,0,0,0,0|1,0,0]=3 684 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [2,0,0,0,0,0|2,0,0]=4 685 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [2,0,0,0,0,0|2,0,0]=4 686 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [2,0,0,0,0,0|2,0,0]=4 687 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [2,0,0,0,0,0|2,0,0]=4 688 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [2,0,0,0,0,0|2,0,0]=4 689 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [2,0,0,0,0,0|2,0,0]=4 690 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|0,1,0]=3 691 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|0,1,0]=3 692 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [2,0,0,0,0,0|1,1,0]=4 693 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [2,0,0,0,0,0|1,1,0]=4 694 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [2,0,0,0,0,0|1,1,0]=4 695 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [2,0,0,0,0,0|1,1,0]=4 696 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [2,0,0,0,0,0|1,1,0]=4 697 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [2,0,0,0,0,0|1,1,0]=4 698 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [2,0,0,0,0,0|1,1,0]=4 699 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [2,0,0,0,0,0|1,1,0]=4 700 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [2,0,0,0,0,0|1,1,0]=4 701 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [2,0,0,0,0,0|1,1,0]=4 702 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [2,0,0,0,0,0|1,1,0]=4 703 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [2,0,0,0,0,0|1,1,0]=4 704 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|1,0,0]=3 705 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|1,0,0]=3 706 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [2,0,0,0,0,0|2,0,0]=4 707 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|0,0,0]=2 708 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|0,0,0]=2 709 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [2,0,0,0,0,0|1,0,0]=3 710 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [2,0,0,0,0,0|1,0,0]=3 711 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [2,0,0,0,0,0|1,0,0]=3 712 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [2,0,0,0,0,0|2,0,0]=4 713 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [2,0,0,0,0,0|2,0,0]=4 714 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|0,1,0]=3 715 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|0,1,0]=3 716 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [2,0,0,0,0,0|1,1,0]=4 717 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [2,0,0,0,0,0|1,1,0]=4 718 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [2,0,0,0,0,0|1,1,0]=4 719 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [2,0,0,0,0,0|1,1,0]=4 720 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [2,0,0,0,0,0|1,1,0]=4 721 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [2,0,0,0,0,0|1,1,0]=4 722 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [2,0,0,0,0,0|1,1,0]=4 723 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [2,0,0,0,0,0|1,1,0]=4 724 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [2,0,0,0,0,0|0,0,2]=4 725 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|0,0,2]=4 726 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [2,0,0,0,0,0|1,0,0]=3 727 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [2,0,0,0,0,0|1,0,0]=3 728 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [2,0,0,0,0,0|1,0,0]=3 729 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [2,0,0,0,0,0|2,0,0]=4 730 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [2,0,0,0,0,0|2,0,0]=4 731 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [2,0,0,0,0,0|2,0,0]=4 732 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [2,0,0,0,0,0|1,0,0]=3 733 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [2,0,0,0,0,0|1,0,0]=3 734 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [2,0,0,0,0,0|2,0,0]=4 735 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [2,0,0,0,0,0|2,0,0]=4 736 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [2,0,0,0,0,0|2,0,0]=4 737 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [2,0,0,0,0,0|2,0,0]=4 738 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [2,0,0,0,0,0|2,0,0]=4 739 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [2,0,0,0,0,0|2,0,0]=4 740 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [2,0,0,0,0,0|1,0,0]=3 741 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [2,0,0,0,0,0|1,0,0]=3 742 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [2,0,0,0,0,0|1,0,0]=3 743 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [2,0,0,0,0,0|1,0,0]=3 744 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [2,0,0,0,0,0|1,0,0]=3 745 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [2,0,0,0,0,0|2,0,0]=4 746 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [2,0,0,0,0,0|2,0,0]=4 747 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [2,0,0,0,0,0|2,0,0]=4 748 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [2,0,0,0,0,0|2,0,0]=4 749 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [2,0,0,0,0,0|2,0,0]=4 750 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [2,0,0,0,0,0|2,0,0]=4 751 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [2,0,0,0,0,0|2,0,0]=4 752 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [2,0,0,0,0,0|2,0,0]=4 753 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [2,0,0,0,0,0|2,0,0]=4 754 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [2,0,0,0,0,0|2,0,0]=4 755 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [2,0,0,0,0,0|2,0,0]=4 756 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [2,0,0,0,0,0|2,0,0]=4 757 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [2,0,0,0,0,0|2,0,0]=4 758 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [2,0,0,0,0,0|2,0,0]=4 759 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [2,0,0,0,0,0|1,0,0]=3 760 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [2,0,0,0,0,0|1,0,0]=3 761 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [2,0,0,0,0,0|2,0,0]=4 762 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [2,0,0,0,0,0|2,0,0]=4 763 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [2,0,0,0,0,0|2,0,0]=4 764 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [2,0,0,0,0,0|2,0,0]=4 765 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [2,0,0,0,0,0|2,0,0]=4 766 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [2,0,0,0,0,0|2,0,0]=4 767 B12R0.144 C/C=C/C=CC(=O)CC(OC)OC 1458a_100000185730_100000751394 [0,1,1,0,0,0|1,0,0]=3 768 B12R0.57 C/C=C/C=C/COCC(OC)OC 34a_100016283227_100000211822 [0,1,1,0,0,0|0,0,2]=4 769 B12R0.133 C=CC=CC(=O)CCC(OC)OC 1458a_100016291481_100000139399 [0,1,1,0,0,0|0,0,1]=3 770 B12R0.133 C=CC=CC(=O)NCC(CC)OC 1626a_100000731041_100016291481 [0,1,1,0,0,0|2,0,0]=4 771 B12R0.133 C=CC=CC(=O)NCC(OC)OC 1626a_100000210479_100016291481 [0,1,1,0,0,0|1,0,0]=3 772 B12R0.162 C=CCN(CC=C)CC(OC)OC 2230a_100000210471_100000751394 [0,1,1,0,0,0|1,0,1]=4 773 B12R0.162 C=CCN(CC=C)CC(OC)OC 270004a_100000210471_100000752162 [0,1,1,0,0,0|1,0,1]=4 774 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [1,1,0,0,0,0|0,0,2]=4 775 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [1,1,0,0,0,0|0,0,2]=4 776 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [1,1,0,0,0,0|2,0,0]=4 777 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [1,1,0,0,0,0|2,0,0]=4 779 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [1,1,0,0,0,0|2,0,0]=4 780 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [1,1,0,0,0,0|2,0,0]=4 781 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [1,1,0,0,0,0|2,0,0]=4 782 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [1,1,0,0,0,0|2,0,0]=4 783 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,1,0,0,0,0|0,0,0]=2 784 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,1,0,0,0,0|0,0,0]=2 785 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [1,1,0,0,0,0|1,0,0]=3 786 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [1,1,0,0,0,0|1,0,0]=3 787 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [1,1,0,0,0,0|0,0,0]=2 788 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [1,1,0,0,0,0|0,0,0]=2 789 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [1,1,0,0,0,0|0,1,0]=3 790 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [1,1,0,0,0,0|0,1,0]=3 791 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [1,1,0,0,0,0|2,0,0]=4 792 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [1,1,0,0,0,0|2,0,0]=4 793 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [1,1,0,0,0,0|2,0,0]=4 794 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [1,1,0,0,0,0|2,0,0]=4 795 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [1,1,0,0,0,0|2,0,0]=4 796 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [1,1,0,0,0,0|2,0,0]=4 797 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [1,1,0,0,0,0|2,0,0]=4 798 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [1,1,0,0,0,0|2,0,0]=4 799 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [1,1,0,0,0,0|2,0,0]=4 800 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [1,1,0,0,0,0|2,0,0]=4 801 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [1,1,0,0,0,0|2,0,0]=4 802 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [1,1,0,0,0,0|2,0,0]=4 803 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [1,1,0,0,0,0|2,0,0]=4 804 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [1,1,0,0,0,0|2,0,0]=4 805 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [1,1,0,0,0,0|2,0,0]=4 806 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [1,1,0,0,0,0|2,0,0]=4 807 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [1,1,0,0,0,0|2,0,0]=4 808 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [1,1,0,0,0,0|2,0,0]=4 809 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [1,1,0,0,0,0|2,0,0]=4 810 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [1,1,0,0,0,0|0,0,0]=2 811 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [1,1,0,0,0,0|0,0,0]=2 812 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [1,1,0,0,0,0|0,0,0]=2 813 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [1,1,0,0,0,0|0,1,0]=3 814 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [1,1,0,0,0,0|0,1,0]=3 815 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [1,1,0,0,0,0|2,0,0]=4 816 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [1,1,0,0,0,0|2,0,0]=4 817 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [1,1,0,0,0,0|2,0,0]=4 818 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [1,1,0,0,0,0|2,0,0]=4 819 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [1,1,0,0,0,0|2,0,0]=4 820 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [1,1,0,0,0,0|2,0,0]=4 821 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [1,1,0,0,0,0|2,0,0]=4 822 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [1,1,0,0,0,0|2,0,0]=4 823 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [1,1,0,0,0,0|2,0,0]=4 824 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [1,1,0,0,0,0|2,0,0]=4 825 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [1,1,0,0,0,0|2,0,0]=4 826 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [1,1,0,0,0,0|1,0,0]=3 827 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [1,1,0,0,0,0|1,0,0]=3 828 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [1,1,0,0,0,0|1,0,0]=3 829 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [1,1,0,0,0,0|1,0,0]=3 830 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [1,1,0,0,0,0|0,0,2]=4 831 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [1,1,0,0,0,0|0,0,2]=4 832 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [1,1,0,0,0,0|0,0,2]=4 833 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,1,0,0,0,0|0,0,0]=2 834 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,1,0,0,0,0|0,0,0]=2 835 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [1,1,0,0,0,0|1,0,0]=3 836 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [1,1,0,0,0,0|1,0,0]=3 837 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [1,1,0,0,0,0|1,0,0]=3 838 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [1,1,0,0,0,0|1,0,0]=3 839 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [1,1,0,0,0,0|1,0,0]=3 840 B12R1.32 COCC(C)Oc1cccnc1 34a_100000210849_100000765312 [1,1,0,0,0,0|2,0,0]=4 841 B12R1.32 COCC(C)Oc1cccnc1 7a_100000210849_100000765312 [1,1,0,0,0,0|2,0,0]=4 842 B12R1.32 COCC(C)Oc1ccncc1 34a_100000212176_100000765312 [1,1,0,0,0,0|2,0,0]=4 843 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [1,1,0,0,0,0|1,0,0]=3 844 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [1,1,0,0,0,0|1,0,0]=3 845 B12R1.32 COCC(C)Sc1ccccn1 62a_100000765312_100011216584 [1,1,0,0,0,0|2,0,0]=4 846 B12R1.32 COCC(C)Sc1ccccn1 62a_100011216584_100000765312 [1,1,0,0,0,0|2,0,0]=4 847 B12R1.32 COCC(C)Sc1cccnc1 62a_100000210063_100000765312 [1,1,0,0,0,0|2,0,0]=4 848 B12R1.32 COCC(C)Sc1cccnc1 62a_100000765312_100000210063 [1,1,0,0,0,0|2,0,0]=4 849 B12R1.32 COCC(C)Sc1ccncc1 62a_100000728582_100000765312 [1,1,0,0,0,0|2,0,0]=4 850 B12R1.32 COCC(C)Sc1ccncc1 62a_100000765312_100000728582 [1,1,0,0,0,0|2,0,0]=4 851 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [1,1,0,0,0,0|1,0,0]=3 852 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [1,1,0,0,0,0|1,0,0]=3 853 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [1,1,0,0,0,0|1,0,0]=3 854 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [1,1,0,0,0,0|2,0,0]=4 855 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [1,1,0,0,0,0|2,0,0]=4 856 B12R1.32 COCN(C)Cc1cccnc1 2230a_100000184577_100000766300 [1,1,0,0,0,0|2,0,0]=4 857 B12R1.32 COCN(C)Cc1cccnc1 269982a_100000184577_100000766300 [1,1,0,0,0,0|2,0,0]=4 858 B12R1.32 COCN(C)Cc1ccncc1 2230a_100000187231_100000766300 [1,1,0,0,0,0|2,0,0]=4 859 B12R1.32 COCN(C)Cc1ccncc1 269982a_100000187231_100000766300 [1,1,0,0,0,0|2,0,0]=4 860 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [1,1,0,0,0,0|0,0,0]=2 861 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [1,1,0,0,0,0|1,1,0]=4 862 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [1,1,0,0,0,0|1,1,0]=4 863 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [1,1,0,0,0,0|0,1,0]=3 864 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [1,1,0,0,0,0|0,1,0]=3 865 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [1,1,0,0,0,0|2,0,0]=4 866 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [1,1,0,0,0,0|2,0,0]=4 867 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [1,1,0,0,0,0|1,0,0]=3 868 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [1,1,0,0,0,0|1,0,0]=3 869 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [1,1,0,0,0,0|0,1,0]=3 870 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [1,1,0,0,0,0|0,1,0]=3 871 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [1,1,0,0,0,0|0,1,1]=4 872 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [1,1,0,0,0,0|0,1,1]=4 873 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [1,1,0,0,0,0|1,0,1]=4 874 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [1,1,0,0,0,0|2,0,0]=4 875 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [1,1,0,0,0,0|2,0,0]=4 876 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [1,1,0,0,0,0|2,0,0]=4 877 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [1,1,0,0,0,0|2,0,0]=4 878 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [1,1,0,0,0,0|2,0,0]=4 879 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [1,1,0,0,0,0|2,0,0]=4 880 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [1,1,0,0,0,0|2,0,0]=4 881 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [1,1,0,0,0,0|1,0,1]=4 882 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [1,1,0,0,0,0|1,0,1]=4 883 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [1,1,0,0,0,0|1,0,0]=3 884 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [1,1,0,0,0,0|0,0,0]=2 885 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [1,1,0,0,0,0|0,1,1]=4 886 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [1,1,0,0,0,0|0,1,1]=4 887 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [1,1,0,0,0,0|0,0,0]=2 888 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,1,0,0,0,0|1,0,0]=3 889 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,1,0,0,0,0|1,0,0]=3 890 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [1,1,0,0,0,0|2,0,0]=4 891 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,1,0,0,0,0|2,0,0]=4 892 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,1,0,0,0,0|2,0,0]=4 893 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,1,0,0,0,0|2,0,0]=4 894 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,1,0,0,0,0|2,0,0]=4 895 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,1,0,0,0,0|2,0,0]=4 896 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [1,1,0,0,0,0|2,0,0]=4 897 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [1,1,0,0,0,0|2,0,0]=4 898 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [1,1,0,0,0,0|2,0,0]=4 899 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [1,1,0,0,0,0|2,0,0]=4 900 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,1,0,0,0,0|1,0,0]=3 901 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [1,1,0,0,0,0|2,0,0]=4 902 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [1,1,0,0,0,0|2,0,0]=4 903 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [1,1,0,0,0,0|2,0,0]=4 904 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [1,1,0,0,0,0|2,0,0]=4 905 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [1,1,0,0,0,0|2,0,0]=4 906 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [1,1,0,0,0,0|2,0,0]=4 907 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [1,1,0,0,0,0|2,0,0]=4 908 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [1,1,0,0,0,0|2,0,0]=4 909 B12R1.43 CC(C[n+]1ccccc1)N(C)C 270004a_100102631434_100000034229 [1,1,0,0,0,0|2,0,0]=4 910 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,1,0,0,0,0|1,0,0]=3 911 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [1,1,0,0,0,0|1,0,0]=3 912 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [1,1,0,0,0,0|2,0,0]=4 913 B12R1.43 CC(Cc1ccccn1)N(C)C 2230a_200011351704_200000210301 [1,1,0,0,0,0|2,0,0]=4 914 B12R1.43 CC(Cc1ccccn1)N(C)C 269982a_200011351704_200000210301 [1,1,0,0,0,0|2,0,0]=4 915 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 2230a_200011351704_200025704644 [1,1,0,0,0,0|2,0,0]=4 916 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 269982a_200011351704_200025704644 [1,1,0,0,0,0|2,0,0]=4 917 B12R1.43 CC(Cc1cccnc1)N(C)C 270004a_100102631434_100015187140 [1,1,0,0,0,0|2,0,0]=4 918 B12R1.43 CC(Cc1ccncc1)N(C)C 270004a_100102631434_100000238508 [1,1,0,0,0,0|2,0,0]=4 919 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,1,0,0,0,0|2,0,0]=4 920 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,1,0,0,0,0|2,0,0]=4 921 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,1,0,0,0,0|1,0,0]=3 922 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [1,1,0,0,0,0|0,0,0]=2 923 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [1,1,0,0,0,0|0,0,0]=2 924 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [1,1,0,0,0,0|1,0,0]=3 925 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [1,1,0,0,0,0|1,0,0]=3 926 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [1,1,0,0,0,0|2,0,0]=4 927 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [1,1,0,0,0,0|2,0,0]=4 928 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [1,1,0,0,0,0|2,0,0]=4 929 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [1,1,0,0,0,0|2,0,0]=4 930 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [1,1,0,0,0,0|2,0,0]=4 931 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [1,1,0,0,0,0|2,0,0]=4 932 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [1,1,0,0,0,0|2,0,0]=4 933 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [1,1,0,0,0,0|2,0,0]=4 934 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [1,1,0,0,0,0|2,0,0]=4 935 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [1,1,0,0,0,0|2,0,0]=4 936 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [1,1,0,0,0,0|2,0,0]=4 937 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [1,1,0,0,0,0|2,0,0]=4 938 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [1,1,0,0,0,0|2,0,0]=4 939 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [1,1,0,0,0,0|2,0,0]=4 940 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [1,1,0,0,0,0|2,0,0]=4 941 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [1,1,0,0,0,0|2,0,0]=4 942 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [1,1,0,0,0,0|2,0,0]=4 943 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [1,1,0,0,0,0|2,0,0]=4 944 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [1,1,0,0,0,0|2,0,0]=4 945 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [1,1,0,0,0,0|2,0,0]=4 946 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [1,1,0,0,0,0|2,0,0]=4 947 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [1,1,0,0,0,0|2,0,0]=4 948 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [1,1,0,0,0,0|2,0,0]=4 949 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [1,1,0,0,0,0|2,0,0]=4 950 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [1,1,0,0,0,0|2,0,0]=4 951 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [1,1,0,0,0,0|2,0,0]=4 952 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [1,1,0,0,0,0|2,0,0]=4 953 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [1,1,0,0,0,0|2,0,0]=4 954 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [1,1,0,0,0,0|2,0,0]=4 955 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210202 [1,1,0,0,0,0|2,0,0]=4 956 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000187385_200000210301 [1,1,0,0,0,0|2,0,0]=4 957 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000225621_100011217064 [1,1,0,0,0,0|2,0,0]=4 958 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000204670 [1,1,0,0,0,0|2,0,0]=4 959 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000187385_200000210301 [1,1,0,0,0,0|2,0,0]=4 960 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000225621_100011217064 [1,1,0,0,0,0|2,0,0]=4 961 B12R1.49 CCN(C)Cc1ccc(cc1)Br 26a_100000225621_100000185759 [1,1,0,0,0,0|2,0,0]=4 962 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [1,1,0,0,0,0|2,0,0]=4 963 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [1,1,0,0,0,0|2,0,0]=4 964 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [1,1,0,0,0,0|2,0,0]=4 965 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [1,1,0,0,0,0|2,0,0]=4 966 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [1,1,0,0,0,0|2,0,0]=4 967 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [1,1,0,0,0,0|2,0,0]=4 968 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [1,1,0,0,0,0|2,0,0]=4 969 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [1,1,0,0,0,0|2,0,0]=4 970 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [1,1,0,0,0,0|2,0,0]=4 971 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [1,1,0,0,0,0|2,0,0]=4 972 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [1,1,0,0,0,0|2,0,0]=4 973 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [1,1,0,0,0,0|2,0,0]=4 974 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [1,1,0,0,0,0|2,0,0]=4 975 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [1,1,0,0,0,0|2,0,0]=4 976 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [1,1,0,0,0,0|2,0,0]=4 977 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210202 [1,1,0,0,0,0|2,0,0]=4 978 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000225621_100000198546 [1,1,0,0,0,0|2,0,0]=4 979 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100015183324_200000210301 [1,1,0,0,0,0|2,0,0]=4 980 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000204670 [1,1,0,0,0,0|2,0,0]=4 981 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000225621_100000198546 [1,1,0,0,0,0|2,0,0]=4 982 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100015183324_200000210301 [1,1,0,0,0,0|2,0,0]=4 983 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210202 [1,1,0,0,0,0|2,0,0]=4 984 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100015183324_200000210301 [1,1,0,0,0,0|2,0,0]=4 985 B12R1.49 CCN(C)Cc1ccc(cc1)I 2230a_100000225621_100000189116 [1,1,0,0,0,0|2,0,0]=4 986 B12R1.49 CCN(C)Cc1ccc(cc1)I 269982a_100000225621_100000189116 [1,1,0,0,0,0|2,0,0]=4 987 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [1,1,0,0,0,0|2,0,0]=4 988 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [1,1,0,0,0,0|2,0,0]=4 989 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [1,1,0,0,0,0|2,0,0]=4 990 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000187385_200025704644 [1,1,0,0,0,0|2,0,0]=4 991 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000187385_200025704644 [1,1,0,0,0,0|2,0,0]=4 992 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [1,1,0,0,0,0|2,0,0]=4 993 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [1,1,0,0,0,0|2,0,0]=4 994 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [1,1,0,0,0,0|2,0,0]=4 995 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [1,1,0,0,0,0|2,0,0]=4 996 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 2230a_100015183324_200025704644 [1,1,0,0,0,0|2,0,0]=4 997 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 269982a_100015183324_200025704644 [1,1,0,0,0,0|2,0,0]=4 998 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 34a_100015183324_200025704644 [1,1,0,0,0,0|2,0,0]=4 999 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [1,1,0,0,0,0|2,0,0]=4 1000 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [1,1,0,0,0,0|1,0,0]=3 1001 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [1,1,0,0,0,0|1,0,0]=3 1002 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [1,1,0,0,0,0|1,0,0]=3 1003 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [1,1,0,0,0,0|1,0,0]=3 1004 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [1,1,0,0,0,0|1,0,0]=3 1005 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [1,1,0,0,0,0|1,0,0]=3 1006 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [1,1,0,0,0,0|1,0,0]=3 1007 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [1,1,0,0,0,0|0,0,2]=4 1008 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [1,1,0,0,0,0|0,0,0]=2 1009 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [1,1,0,0,0,0|0,0,0]=2 1010 B12R1.49 COC(C)Sc1cc[n+](cc1)[O-] 62a_100009879195_100000039755 [1,1,0,0,0,0|2,0,0]=4 1011 B12R1.49 COC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100009879195 [1,1,0,0,0,0|2,0,0]=4 1012 B12R1.49 COC(C)Sc1ccc(=O)[nH]c1 62a_100009879195_100000212171 [1,1,0,0,0,0|2,0,0]=4 1013 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100000752885_100009879195 [1,1,0,0,0,0|1,0,0]=3 1014 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100009879195_100000752885 [1,1,0,0,0,0|1,0,0]=3 1015 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [1,1,0,0,0,0|1,0,0]=3 1016 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [1,1,0,0,0,0|1,0,0]=3 1017 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009879195 [1,1,0,0,0,0|1,0,0]=3 1018 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100009879195_100000755918 [1,1,0,0,0,0|1,0,0]=3 1019 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100000211213_100009879195 [1,1,0,0,0,0|1,0,0]=3 1020 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100009879195_100000211213 [1,1,0,0,0,0|1,0,0]=3 1021 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100000185761_100009879195 [1,1,0,0,0,0|1,0,0]=3 1022 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100009879195_100000185761 [1,1,0,0,0,0|1,0,0]=3 1023 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [1,1,0,0,0,0|1,0,0]=3 1024 B12R1.49 COC(C)Sc1ccc(cn1)Br 62a_100000686858_100009879195 [1,1,0,0,0,0|2,0,0]=4 1025 B12R1.49 COC(C)Sc1ccc(cn1)Br 62a_100009879195_100000686858 [1,1,0,0,0,0|2,0,0]=4 1026 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100009879195_100000754016 [1,1,0,0,0,0|2,0,0]=4 1027 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100011192072_100009879195 [1,1,0,0,0,0|2,0,0]=4 1028 B12R1.49 COC(C)Sc1ccc(cn1)Cl 62a_100009879195_100011356976 [1,1,0,0,0,0|2,0,0]=4 1029 B12R1.49 COC(C)Sc1ccc(cn1)Cl 62a_100011356976_100009879195 [1,1,0,0,0,0|2,0,0]=4 1030 B12R1.49 COC(C)Sc1ccc(cn1)F 62a_100000744514_100009879195 [1,1,0,0,0,0|2,0,0]=4 1031 B12R1.49 COC(C)Sc1ccc(cn1)F 62a_100009879195_100000744514 [1,1,0,0,0,0|2,0,0]=4 1032 B12R1.49 COC(C)Sc1ccc(cn1)N 62a_100000737798_100009879195 [1,1,0,0,0,0|2,0,0]=4 1033 B12R1.49 COC(C)Sc1ccc(cn1)N 62a_100009879195_100000737798 [1,1,0,0,0,0|2,0,0]=4 1034 B12R1.49 COC(C)Sc1ccc(cn1)O 62a_100000685995_100009879195 [1,1,0,0,0,0|2,0,0]=4 1035 B12R1.49 COC(C)Sc1ccc(cn1)O 62a_100009879195_100000744096 [1,1,0,0,0,0|2,0,0]=4 1036 B12R1.49 COC(C)Sc1ccc(nc1)Br 62a_100009814638_100009879195 [1,1,0,0,0,0|2,0,0]=4 1037 B12R1.49 COC(C)Sc1ccc(nc1)Br 62a_100009879195_100009814638 [1,1,0,0,0,0|2,0,0]=4 1038 B12R1.49 COC(C)Sc1ccc(nc1)C 62a_100000751577_100009879195 [1,1,0,0,0,0|2,0,0]=4 1039 B12R1.49 COC(C)Sc1ccc(nc1)C 62a_100009879195_100000751577 [1,1,0,0,0,0|2,0,0]=4 1040 B12R1.49 COC(C)Sc1ccc(nc1)Cl 62a_100000034144_100009879195 [1,1,0,0,0,0|2,0,0]=4 1041 B12R1.49 COC(C)Sc1ccc(nc1)Cl 62a_100009879195_100000034144 [1,1,0,0,0,0|2,0,0]=4 1042 B12R1.49 COC(C)Sc1ccc(nc1)F 62a_100000042367_100009879195 [1,1,0,0,0,0|2,0,0]=4 1043 B12R1.49 COC(C)Sc1ccc(nc1)F 62a_100009879195_100000042367 [1,1,0,0,0,0|2,0,0]=4 1044 B12R1.49 COC(C)Sc1ccc(nc1)N 62a_100000187370_100009879195 [1,1,0,0,0,0|2,0,0]=4 1045 B12R1.49 COC(C)Sc1ccc(nc1)N 62a_100009879195_100000187370 [1,1,0,0,0,0|2,0,0]=4 1046 B12R1.50 CCC(C)Nc1cccc(c1)Br 34a_100000210019_100011215416 [1,1,0,0,0,0|2,0,0]=4 1047 B12R1.50 CCC(C)Nc1cccc(c1)C 2230a_100000188690_100000758301 [1,1,0,0,0,0|2,0,0]=4 1048 B12R1.50 CCC(C)Nc1cccc(c1)C 34a_100000188690_100011215416 [1,1,0,0,0,0|2,0,0]=4 1049 B12R1.50 CCC(C)Nc1cccc(c1)Cl 34a_100000185859_100011215416 [1,1,0,0,0,0|2,0,0]=4 1050 B12R1.50 CCC(C)Nc1cccc(c1)F 34a_100000210047_100011215416 [1,1,0,0,0,0|2,0,0]=4 1051 B12R1.50 CCC(C)Nc1cccc(c1)I 34a_100000211102_100011215416 [1,1,0,0,0,0|2,0,0]=4 1052 B12R1.50 CCC(C)Nc1cccc(c1)O 34a_100000210217_100011215416 [1,1,0,0,0,0|2,0,0]=4 1053 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [1,1,0,0,0,0|2,0,0]=4 1054 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [1,1,0,0,0,0|2,0,0]=4 1056 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [1,1,0,0,0,0|2,0,0]=4 1057 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [1,1,0,0,0,0|2,0,0]=4 1058 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [1,1,0,0,0,0|2,0,0]=4 1059 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [1,1,0,0,0,0|2,0,0]=4 1060 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [1,1,0,0,0,0|2,0,0]=4 1061 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [1,1,0,0,0,0|2,0,0]=4 1062 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [1,1,0,0,0,0|2,0,0]=4 1063 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [1,1,0,0,0,0|2,0,0]=4 1064 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [1,1,0,0,0,0|2,0,0]=4 1065 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000691529_100000758301 [1,1,0,0,0,0|2,0,0]=4 1066 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000758301_100000691529 [1,1,0,0,0,0|2,0,0]=4 1067 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100000758301_100011215228 [1,1,0,0,0,0|2,0,0]=4 1068 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100011215228_100000758301 [1,1,0,0,0,0|2,0,0]=4 1069 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000758301 [1,1,0,0,0,0|2,0,0]=4 1070 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000758301_100000699651 [1,1,0,0,0,0|2,0,0]=4 1071 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000685547_100000758301 [1,1,0,0,0,0|2,0,0]=4 1072 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000758301_100000685547 [1,1,0,0,0,0|2,0,0]=4 1073 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000210019_100000758301 [1,1,0,0,0,0|2,0,0]=4 1074 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000758301_100000210019 [1,1,0,0,0,0|2,0,0]=4 1075 B12R1.50 CCC(C)Sc1cccc(c1)O 62a_100000758301_100000211634 [1,1,0,0,0,0|2,0,0]=4 1076 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_100000758301_114929384022 [1,1,0,0,0,0|2,0,0]=4 1077 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000758301 [1,1,0,0,0,0|2,0,0]=4 1078 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1079 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210202 [1,1,0,0,0,0|2,0,0]=4 1080 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000225621_100000698116 [1,1,0,0,0,0|2,0,0]=4 1081 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1082 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000204670 [1,1,0,0,0,0|2,0,0]=4 1083 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000225621_100000211773 [1,1,0,0,0,0|2,0,0]=4 1084 B12R1.50 CCN(C)Cc1cccc(c1)Br 26a_100000225621_100000210342 [1,1,0,0,0,0|2,0,0]=4 1085 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_100000225621_100000211840 [1,1,0,0,0,0|2,0,0]=4 1086 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210202 [1,1,0,0,0,0|2,0,0]=4 1087 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102516607250_200000210301 [1,1,0,0,0,0|2,0,0]=4 1088 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_100000225621_100000211840 [1,1,0,0,0,0|2,0,0]=4 1089 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000204670 [1,1,0,0,0,0|2,0,0]=4 1090 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102516607250_200000210301 [1,1,0,0,0,0|2,0,0]=4 1091 B12R1.50 CCN(C)Cc1cccc(c1)C 34a_102495364743_100000210202 [1,1,0,0,0,0|2,0,0]=4 1092 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000201194_200000210301 [1,1,0,0,0,0|2,0,0]=4 1093 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000225621_100000181238 [1,1,0,0,0,0|2,0,0]=4 1094 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210202 [1,1,0,0,0,0|2,0,0]=4 1095 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000201194_200000210301 [1,1,0,0,0,0|2,0,0]=4 1096 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000225621_100000181238 [1,1,0,0,0,0|2,0,0]=4 1097 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000204670 [1,1,0,0,0,0|2,0,0]=4 1098 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210202 [1,1,0,0,0,0|2,0,0]=4 1099 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000195558_200000210301 [1,1,0,0,0,0|2,0,0]=4 1100 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000225621_100000230114 [1,1,0,0,0,0|2,0,0]=4 1101 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000204670 [1,1,0,0,0,0|2,0,0]=4 1102 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000195558_200000210301 [1,1,0,0,0,0|2,0,0]=4 1103 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000225621_100000230114 [1,1,0,0,0,0|2,0,0]=4 1104 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000184398_100000210202 [1,1,0,0,0,0|2,0,0]=4 1105 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000195558_200000210301 [1,1,0,0,0,0|2,0,0]=4 1106 B12R1.50 CCN(C)Cc1cccc(c1)I 2230a_100000225621_100011218688 [1,1,0,0,0,0|2,0,0]=4 1107 B12R1.50 CCN(C)Cc1cccc(c1)I 269982a_100000225621_100011218688 [1,1,0,0,0,0|2,0,0]=4 1108 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000201218_200000210301 [1,1,0,0,0,0|2,0,0]=4 1109 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210202 [1,1,0,0,0,0|2,0,0]=4 1110 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000225621_100011660834 [1,1,0,0,0,0|2,0,0]=4 1111 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000201218_200000210301 [1,1,0,0,0,0|2,0,0]=4 1112 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000204670 [1,1,0,0,0,0|2,0,0]=4 1113 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000225621_100000084143 [1,1,0,0,0,0|2,0,0]=4 1114 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 2230a_100000187426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1115 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 269982a_100000187426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1116 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 2230a_102516607250_200025704644 [1,1,0,0,0,0|2,0,0]=4 1117 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 269982a_102516607250_200025704644 [1,1,0,0,0,0|2,0,0]=4 1118 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 2230a_100000201194_200025704644 [1,1,0,0,0,0|2,0,0]=4 1119 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 269982a_100000201194_200025704644 [1,1,0,0,0,0|2,0,0]=4 1120 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 2230a_100000195558_200025704644 [1,1,0,0,0,0|2,0,0]=4 1121 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 269982a_100000195558_200025704644 [1,1,0,0,0,0|2,0,0]=4 1122 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 34a_100000195558_200025704644 [1,1,0,0,0,0|2,0,0]=4 1123 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 2230a_100000201218_200025704644 [1,1,0,0,0,0|2,0,0]=4 1124 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 269982a_100000201218_200025704644 [1,1,0,0,0,0|2,0,0]=4 1125 B12R1.50 CNC(C)Cc1cc(ccn1)C 270004a_106832991635_200015184229 [1,1,0,0,0,0|2,0,0]=4 1126 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [1,1,0,0,0,0|1,0,0]=3 1127 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [1,1,0,0,0,0|1,0,0]=3 1128 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [1,1,0,0,0,0|1,0,0]=3 1129 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [1,1,0,0,0,0|0,0,2]=4 1130 B12R1.50 COC(C)Cc1cccc(n1)C 34a_200015421231_200000210301 [1,1,0,0,0,0|1,0,0]=3 1131 B12R1.50 COC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100009879195 [1,1,0,0,0,0|2,0,0]=4 1132 B12R1.50 COC(C)Sc1cc(ccn1)C 62a_100000750283_100009879195 [1,1,0,0,0,0|2,0,0]=4 1133 B12R1.50 COC(C)Sc1cc(ccn1)C 62a_100009879195_100000750283 [1,1,0,0,0,0|2,0,0]=4 1134 B12R1.50 COC(C)Sc1cc(ccn1)Cl 62a_100009879195_100010167805 [1,1,0,0,0,0|2,0,0]=4 1135 B12R1.50 COC(C)Sc1cc(ccn1)Cl 62a_100010167805_100009879195 [1,1,0,0,0,0|2,0,0]=4 1136 B12R1.50 COC(C)Sc1cc(ccn1)F 62a_100000764206_100009879195 [1,1,0,0,0,0|2,0,0]=4 1137 B12R1.50 COC(C)Sc1cc(ccn1)F 62a_100009879195_100000764206 [1,1,0,0,0,0|2,0,0]=4 1138 B12R1.50 COC(C)Sc1cc(ccn1)N 62a_100009814236_100009879195 [1,1,0,0,0,0|2,0,0]=4 1139 B12R1.50 COC(C)Sc1cc(ccn1)N 62a_100009879195_100009814236 [1,1,0,0,0,0|2,0,0]=4 1140 B12R1.50 COC(C)Sc1cc(ccn1)O 62a_100009879195_100000762945 [1,1,0,0,0,0|2,0,0]=4 1141 B12R1.50 COC(C)Sc1cc[nH]c(=O)c1 62a_100009816521_100009879195 [1,1,0,0,0,0|2,0,0]=4 1142 B12R1.50 COC(C)Sc1cc[nH]c(=O)c1 62a_100009879195_100009816521 [1,1,0,0,0,0|2,0,0]=4 1143 B12R1.50 COC(C)Sc1ccc[n+](c1)C 62a_100009879195_100009996589 [1,1,0,0,0,0|2,0,0]=4 1144 B12R1.50 COC(C)Sc1ccc[n+](c1)C 62a_100009996589_100009879195 [1,1,0,0,0,0|2,0,0]=4 1145 B12R1.50 COC(C)Sc1ccc[n+](c1)[O-] 62a_100009879195_100009815978 [1,1,0,0,0,0|2,0,0]=4 1146 B12R1.50 COC(C)Sc1cccc(=O)[nH]1 62a_100009879195_100000752884 [1,1,0,0,0,0|2,0,0]=4 1147 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100000691529_100009879195 [1,1,0,0,0,0|1,0,0]=3 1148 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100009879195_100000691529 [1,1,0,0,0,0|1,0,0]=3 1149 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100009879195_100011215228 [1,1,0,0,0,0|1,0,0]=3 1150 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100011215228_100009879195 [1,1,0,0,0,0|1,0,0]=3 1151 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100000699651_100009879195 [1,1,0,0,0,0|1,0,0]=3 1152 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100009879195_100000699651 [1,1,0,0,0,0|1,0,0]=3 1153 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100000685547_100009879195 [1,1,0,0,0,0|1,0,0]=3 1154 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100009879195_100000685547 [1,1,0,0,0,0|1,0,0]=3 1155 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100000210019_100009879195 [1,1,0,0,0,0|1,0,0]=3 1156 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100009879195_100000210019 [1,1,0,0,0,0|1,0,0]=3 1157 B12R1.50 COC(C)Sc1cccc(c1)O 62a_100009879195_100000211634 [1,1,0,0,0,0|1,0,0]=3 1158 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_100009879195_114929384022 [1,1,0,0,0,0|1,0,0]=3 1159 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_114929384022_100009879195 [1,1,0,0,0,0|1,0,0]=3 1160 B12R1.50 COC(C)Sc1cccc(n1)Br 62a_100000684672_100009879195 [1,1,0,0,0,0|2,0,0]=4 1161 B12R1.50 COC(C)Sc1cccc(n1)Br 62a_100009879195_100000684672 [1,1,0,0,0,0|2,0,0]=4 1162 B12R1.50 COC(C)Sc1cccc(n1)C 62a_100000742759_100009879195 [1,1,0,0,0,0|2,0,0]=4 1163 B12R1.50 COC(C)Sc1cccc(n1)C 62a_100009879195_100000742759 [1,1,0,0,0,0|2,0,0]=4 1164 B12R1.50 COC(C)Sc1cccc(n1)Cl 62a_100000051397_100009879195 [1,1,0,0,0,0|2,0,0]=4 1165 B12R1.50 COC(C)Sc1cccc(n1)Cl 62a_100009879195_100000051397 [1,1,0,0,0,0|2,0,0]=4 1166 B12R1.50 COC(C)Sc1cccc(n1)F 62a_100009815982_100009879195 [1,1,0,0,0,0|2,0,0]=4 1167 B12R1.50 COC(C)Sc1cccc(n1)F 62a_100009879195_100009815982 [1,1,0,0,0,0|2,0,0]=4 1168 B12R1.50 COC(C)Sc1cccc(n1)N 62a_100000740741_100009879195 [1,1,0,0,0,0|2,0,0]=4 1169 B12R1.50 COC(C)Sc1cccc(n1)N 62a_100009879195_100000740741 [1,1,0,0,0,0|2,0,0]=4 1170 B12R1.50 COC(C)Sc1ccnc(c1)Br 62a_100009814637_100009879195 [1,1,0,0,0,0|2,0,0]=4 1171 B12R1.50 COC(C)Sc1ccnc(c1)Br 62a_100009879195_100009814637 [1,1,0,0,0,0|2,0,0]=4 1172 B12R1.50 COC(C)Sc1ccnc(c1)C 62a_100000758586_100009879195 [1,1,0,0,0,0|2,0,0]=4 1173 B12R1.50 COC(C)Sc1ccnc(c1)C 62a_100009879195_100000758586 [1,1,0,0,0,0|2,0,0]=4 1174 B12R1.50 COC(C)Sc1ccnc(c1)Cl 62a_100000035001_100009879195 [1,1,0,0,0,0|2,0,0]=4 1175 B12R1.50 COC(C)Sc1ccnc(c1)Cl 62a_100009879195_100000035001 [1,1,0,0,0,0|2,0,0]=4 1176 B12R1.50 COC(C)Sc1ccnc(c1)F 62a_100009816116_100009879195 [1,1,0,0,0,0|2,0,0]=4 1177 B12R1.50 COC(C)Sc1ccnc(c1)F 62a_100009879195_100009816116 [1,1,0,0,0,0|2,0,0]=4 1178 B12R1.50 COC(C)Sc1ccnc(c1)N 62a_100000049665_100009879195 [1,1,0,0,0,0|2,0,0]=4 1179 B12R1.50 COC(C)Sc1ccnc(c1)N 62a_100009879195_100000049665 [1,1,0,0,0,0|2,0,0]=4 1180 B12R1.50 COC(C)Sc1cncc(c1)Br 62a_100000728054_100009879195 [1,1,0,0,0,0|2,0,0]=4 1181 B12R1.50 COC(C)Sc1cncc(c1)Br 62a_100009879195_100000728054 [1,1,0,0,0,0|2,0,0]=4 1182 B12R1.50 COC(C)Sc1cncc(c1)C 62a_100000760492_100009879195 [1,1,0,0,0,0|2,0,0]=4 1183 B12R1.50 COC(C)Sc1cncc(c1)C 62a_100009879195_100000760492 [1,1,0,0,0,0|2,0,0]=4 1184 B12R1.50 COC(C)Sc1cncc(c1)Cl 62a_100000049639_100009879195 [1,1,0,0,0,0|2,0,0]=4 1185 B12R1.50 COC(C)Sc1cncc(c1)Cl 62a_100009879195_100000049639 [1,1,0,0,0,0|2,0,0]=4 1186 B12R1.50 COC(C)Sc1cncc(c1)F 62a_100000744099_100009879195 [1,1,0,0,0,0|2,0,0]=4 1187 B12R1.50 COC(C)Sc1cncc(c1)F 62a_100009879195_100000744099 [1,1,0,0,0,0|2,0,0]=4 1188 B12R1.50 COC(C)Sc1cncc(c1)N 62a_100000687067_100009879195 [1,1,0,0,0,0|2,0,0]=4 1189 B12R1.50 COC(C)Sc1cncc(c1)N 62a_100009879195_100000687067 [1,1,0,0,0,0|2,0,0]=4 1190 B12R1.50 COC(C)Sc1cncc(c1)O 62a_100000754920_100009879195 [1,1,0,0,0,0|2,0,0]=4 1191 B12R1.50 COC(C)Sc1cncc(c1)O 62a_100009879195_100000754920 [1,1,0,0,0,0|2,0,0]=4 1192 B12R1.50 Cc1cccc(n1)CC(C)O[13CH3] 34a_200015421231_200025704644 [1,1,0,0,0,0|1,0,0]=3 1193 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [1,1,0,0,0,0|0,0,0]=2 1194 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [1,1,0,0,0,0|2,0,0]=4 1195 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000032637_100000041952 [1,1,0,0,0,0|2,0,0]=4 1196 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000719477_100000032637 [1,1,0,0,0,0|2,0,0]=4 1197 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [1,1,0,0,0,0|0,0,0]=2 1198 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [1,1,0,0,0,0|2,0,0]=4 1199 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [1,1,0,0,0,0|2,0,0]=4 1200 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [1,1,0,0,0,0|2,0,0]=4 1201 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [1,1,0,0,0,0|2,0,0]=4 1202 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [1,1,0,0,0,0|2,0,0]=4 1203 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [1,1,0,0,0,0|2,0,0]=4 1204 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [1,1,0,0,0,0|2,0,0]=4 1205 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [1,1,0,0,0,0|2,0,0]=4 1206 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [1,1,0,0,0,0|2,0,0]=4 1207 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [1,1,0,0,0,0|2,0,0]=4 1208 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [1,1,0,0,0,0|2,0,0]=4 1209 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [1,1,0,0,0,0|2,0,0]=4 1210 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [1,1,0,0,0,0|2,0,0]=4 1211 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [1,1,0,0,0,0|2,0,0]=4 1212 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [1,1,0,0,0,0|2,0,0]=4 1213 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [1,1,0,0,0,0|2,0,0]=4 1214 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [1,1,0,0,0,0|2,0,0]=4 1215 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [1,1,0,0,0,0|2,0,0]=4 1216 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [1,1,0,0,0,0|2,0,0]=4 1217 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [1,1,0,0,0,0|2,0,0]=4 1218 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [1,1,0,0,0,0|2,0,0]=4 1219 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [1,1,0,0,0,0|2,0,0]=4 1220 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [1,1,0,0,0,0|2,0,0]=4 1221 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [1,1,0,0,0,0|2,0,0]=4 1222 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [1,1,0,0,0,0|2,0,0]=4 1223 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [1,1,0,0,0,0|2,0,0]=4 1224 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [1,1,0,0,0,0|2,0,0]=4 1225 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [1,1,0,0,0,0|2,0,0]=4 1226 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [1,1,0,0,0,0|2,0,0]=4 1227 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [1,1,0,0,0,0|2,0,0]=4 1228 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [1,1,0,0,0,0|2,0,0]=4 1229 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [1,1,0,0,0,0|2,0,0]=4 1230 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [1,1,0,0,0,0|2,0,0]=4 1231 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [1,1,0,0,0,0|2,0,0]=4 1232 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [1,1,0,0,0,0|2,0,0]=4 1233 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [1,1,0,0,0,0|2,0,0]=4 1234 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [1,1,0,0,0,0|2,0,0]=4 1235 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [1,1,0,0,0,0|2,0,0]=4 1236 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [1,1,0,0,0,0|2,0,0]=4 1237 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [1,1,0,0,0,0|2,0,0]=4 1238 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [1,1,0,0,0,0|2,0,0]=4 1239 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [1,1,0,0,0,0|2,0,0]=4 1240 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1241 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [1,1,0,0,0,0|2,0,0]=4 1242 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [1,1,0,0,0,0|2,0,0]=4 1243 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1244 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [1,1,0,0,0,0|2,0,0]=4 1245 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [1,1,0,0,0,0|2,0,0]=4 1246 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [1,1,0,0,0,0|2,0,0]=4 1247 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [1,1,0,0,0,0|2,0,0]=4 1248 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1249 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [1,1,0,0,0,0|2,0,0]=4 1250 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [1,1,0,0,0,0|2,0,0]=4 1251 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1252 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [1,1,0,0,0,0|2,0,0]=4 1253 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1254 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [1,1,0,0,0,0|2,0,0]=4 1255 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [1,1,0,0,0,0|2,0,0]=4 1256 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [1,1,0,0,0,0|2,0,0]=4 1257 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [1,1,0,0,0,0|2,0,0]=4 1258 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [1,1,0,0,0,0|2,0,0]=4 1259 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [1,1,0,0,0,0|2,0,0]=4 1260 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [1,1,0,0,0,0|2,0,0]=4 1261 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [1,1,0,0,0,0|2,0,0]=4 1262 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1263 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1264 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1265 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1266 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1267 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [1,1,0,0,0,0|2,0,0]=4 1268 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [1,1,0,0,0,0|2,0,0]=4 1269 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [1,1,0,0,0,0|1,0,0]=3 1270 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [1,1,0,0,0,0|1,0,0]=3 1271 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [1,1,0,0,0,0|1,0,0]=3 1272 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [1,1,0,0,0,0|1,0,0]=3 1273 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [1,1,0,0,0,0|2,0,0]=4 1274 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [1,1,0,0,0,0|0,0,2]=4 1275 B12R1.371 COC(C)Sc1c[nH]ccc1=O 62a_100009879195_100009998708 [1,1,0,0,0,0|2,0,0]=4 1276 B12R1.371 COC(C)Sc1c[nH]ccc1=O 62a_100009998708_100009879195 [1,1,0,0,0,0|2,0,0]=4 1277 B12R1.371 COC(C)Sc1c[nH]ccc1=S 62a_100009879195_200012280681 [1,1,0,0,0,0|2,0,0]=4 1278 B12R1.371 COC(C)Sc1c[nH]ccc1=S 62a_200012280681_100009879195 [1,1,0,0,0,0|2,0,0]=4 1279 B12R1.371 COC(C)Sc1cccc[n+]1C 62a_100009879195_100000212160 [1,1,0,0,0,0|2,0,0]=4 1280 B12R1.371 COC(C)Sc1cccc[n+]1[O-] 62a_100009879195_200000042595 [1,1,0,0,0,0|2,0,0]=4 1281 B12R1.371 COC(C)Sc1ccccc1Br 62a_100000695589_100009879195 [1,1,0,0,0,0|1,0,0]=3 1282 B12R1.371 COC(C)Sc1ccccc1Br 62a_100009879195_100000695589 [1,1,0,0,0,0|1,0,0]=3 1283 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [1,1,0,0,0,0|1,0,0]=3 1284 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [1,1,0,0,0,0|1,0,0]=3 1285 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100000764095_100009879195 [1,1,0,0,0,0|1,0,0]=3 1286 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100009879195_100000764095 [1,1,0,0,0,0|1,0,0]=3 1287 B12R1.371 COC(C)Sc1ccccc1F 62a_100009879195_100011215700 [1,1,0,0,0,0|1,0,0]=3 1288 B12R1.371 COC(C)Sc1ccccc1F 62a_100011215700_100009879195 [1,1,0,0,0,0|1,0,0]=3 1289 B12R1.371 COC(C)Sc1ccccc1N 62a_100000210017_100009879195 [1,1,0,0,0,0|1,0,0]=3 1290 B12R1.371 COC(C)Sc1ccccc1N 62a_100009879195_100000210017 [1,1,0,0,0,0|1,0,0]=3 1291 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [1,1,0,0,0,0|1,0,0]=3 1292 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [1,1,0,0,0,0|1,0,0]=3 1293 B12R1.371 COC(C)Sc1cccnc1Br 62a_100009879195_100010202626 [1,1,0,0,0,0|2,0,0]=4 1294 B12R1.371 COC(C)Sc1cccnc1Br 62a_100010202626_100009879195 [1,1,0,0,0,0|2,0,0]=4 1295 B12R1.371 COC(C)Sc1cccnc1C 62a_100000751574_100009879195 [1,1,0,0,0,0|2,0,0]=4 1296 B12R1.371 COC(C)Sc1cccnc1C 62a_100009879195_100000751574 [1,1,0,0,0,0|2,0,0]=4 1297 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100000036424_100009879195 [1,1,0,0,0,0|2,0,0]=4 1298 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100009879195_100000036424 [1,1,0,0,0,0|2,0,0]=4 1299 B12R1.371 COC(C)Sc1cccnc1F 62a_100009816115_100009879195 [1,1,0,0,0,0|2,0,0]=4 1300 B12R1.371 COC(C)Sc1cccnc1F 62a_100009879195_100009816115 [1,1,0,0,0,0|2,0,0]=4 1301 B12R1.371 COC(C)Sc1cccnc1N 62a_100000045569_100009879195 [1,1,0,0,0,0|2,0,0]=4 1302 B12R1.371 COC(C)Sc1cccnc1N 62a_100009879195_100000045569 [1,1,0,0,0,0|2,0,0]=4 1303 B12R1.371 COC(C)Sc1cccnc1O 62a_100000760158_100009879195 [1,1,0,0,0,0|2,0,0]=4 1304 B12R1.371 COC(C)Sc1cccnc1O 62a_100009879195_100000760158 [1,1,0,0,0,0|2,0,0]=4 1305 B12R1.371 COC(C)Sc1ccncc1Br 62a_100000726257_100009879195 [1,1,0,0,0,0|2,0,0]=4 1306 B12R1.371 COC(C)Sc1ccncc1Br 62a_100009879195_100000726257 [1,1,0,0,0,0|2,0,0]=4 1307 B12R1.371 COC(C)Sc1ccncc1C 62a_100000765111_100009879195 [1,1,0,0,0,0|2,0,0]=4 1308 B12R1.371 COC(C)Sc1ccncc1C 62a_100009879195_100000765111 [1,1,0,0,0,0|2,0,0]=4 1309 B12R1.371 COC(C)Sc1ccncc1Cl 62a_100000708259_100009879195 [1,1,0,0,0,0|2,0,0]=4 1310 B12R1.371 COC(C)Sc1ccncc1Cl 62a_100009879195_100000708259 [1,1,0,0,0,0|2,0,0]=4 1311 B12R1.371 COC(C)Sc1ccncc1F 62a_100000047030_100009879195 [1,1,0,0,0,0|2,0,0]=4 1312 B12R1.371 COC(C)Sc1ccncc1F 62a_100009879195_100000047030 [1,1,0,0,0,0|2,0,0]=4 1313 B12R1.371 COC(C)Sc1ccncc1N 62a_100000756074_100009879195 [1,1,0,0,0,0|2,0,0]=4 1314 B12R1.371 COC(C)Sc1ccncc1N 62a_100009879195_100000756074 [1,1,0,0,0,0|2,0,0]=4 1315 B12R1.371 COC(C)Sc1ccncc1O 62a_100009817591_100009879195 [1,1,0,0,0,0|2,0,0]=4 1316 B12R1.371 COC(C)Sc1ccncc1O 62a_100009879195_100009817591 [1,1,0,0,0,0|2,0,0]=4 1317 B12R1.371 COC(C)Sc1cnccc1Br 62a_100009879195_100010138639 [1,1,0,0,0,0|2,0,0]=4 1318 B12R1.371 COC(C)Sc1cnccc1Br 62a_100010138639_100009879195 [1,1,0,0,0,0|2,0,0]=4 1319 B12R1.371 COC(C)Sc1cnccc1C 62a_100000761580_100009879195 [1,1,0,0,0,0|2,0,0]=4 1320 B12R1.371 COC(C)Sc1cnccc1C 62a_100009879195_100000761580 [1,1,0,0,0,0|2,0,0]=4 1321 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009879195_100009995489 [1,1,0,0,0,0|2,0,0]=4 1322 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009995489_100009879195 [1,1,0,0,0,0|2,0,0]=4 1323 B12R1.371 COC(C)Sc1cnccc1F 62a_100009820683_100009879195 [1,1,0,0,0,0|2,0,0]=4 1324 B12R1.371 COC(C)Sc1cnccc1F 62a_100009879195_100009820683 [1,1,0,0,0,0|2,0,0]=4 1325 B12R1.371 COC(C)Sc1cnccc1N 62a_100000047001_100009879195 [1,1,0,0,0,0|2,0,0]=4 1326 B12R1.371 COC(C)Sc1cnccc1N 62a_100009879195_100000047001 [1,1,0,0,0,0|2,0,0]=4 1327 B12R1.371 COC(C)Sc1ncccc1Br 62a_100000696092_100009879195 [1,1,0,0,0,0|2,0,0]=4 1328 B12R1.371 COC(C)Sc1ncccc1Br 62a_100009879195_100000696092 [1,1,0,0,0,0|2,0,0]=4 1329 B12R1.371 COC(C)Sc1ncccc1C 62a_100000751373_100009879195 [1,1,0,0,0,0|2,0,0]=4 1330 B12R1.371 COC(C)Sc1ncccc1C 62a_100009879195_100000751373 [1,1,0,0,0,0|2,0,0]=4 1331 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100009879195_100011356963 [1,1,0,0,0,0|2,0,0]=4 1332 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100011356963_100009879195 [1,1,0,0,0,0|2,0,0]=4 1333 B12R1.371 COC(C)Sc1ncccc1F 62a_100000685392_100009879195 [1,1,0,0,0,0|2,0,0]=4 1334 B12R1.371 COC(C)Sc1ncccc1F 62a_100009879195_100000685392 [1,1,0,0,0,0|2,0,0]=4 1335 B12R1.371 COC(C)Sc1ncccc1N 62a_100000688686_100009879195 [1,1,0,0,0,0|2,0,0]=4 1336 B12R1.371 COC(C)Sc1ncccc1N 62a_100009879195_100000688686 [1,1,0,0,0,0|2,0,0]=4 1337 B12R1.371 COC(C)Sc1ncccc1O 62a_100000034122_100009879195 [1,1,0,0,0,0|2,0,0]=4 1338 B12R1.371 COC(C)Sc1ncccc1O 62a_100009879195_100000034122 [1,1,0,0,0,0|2,0,0]=4 1339 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,1,0,0,1,0|1,0,1]=4 1340 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,1,0,0,1,0|1,0,1]=4 1341 B12R1.3 C#CC(OCF)c1ccccc1 34a_100011219616_100015361967 [0,1,0,0,1,0|1,0,1]=4 1342 B12R1.3 C#CC(OCF)c1ccccc1 7a_100011219616_100015361967 [0,1,0,0,1,0|1,0,1]=4 1343 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,1,0,0,1,0|1,0,1]=4 1344 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,1,0,0,1,0|1,0,1]=4 1345 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,1,0,0,1,0|1,0,1]=4 1346 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,1,0,0,1,0|1,0,1]=4 1347 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,1,0,0,1,0|1,0,1]=4 1348 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,1,0,0,1,0|1,0,1]=4 1349 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,1,0,0,1,0|1,0,1]=4 1350 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,1,0,0,1,0|1,0,1]=4 1351 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,1,0,0,1,0|2,0,0]=4 1352 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,1,0,0,1,0|1,0,0]=3 1353 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,1,0,0,1,0|1,0,0]=3 1354 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,1,0,0,1,0|1,0,0]=3 1355 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,1,0,0,1,0|1,0,0]=3 1356 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,1,0,0,1,0|1,0,0]=3 1357 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,1,0,0,1,0|1,0,0]=3 1358 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,1,0,0,1,0|2,0,0]=4 1359 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,1,0,0,1,0|2,0,0]=4 1360 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,1,0,0,1,0|2,0,0]=4 1361 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,1,0,0,1,0|2,0,0]=4 1362 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,1,0,0,1,0|2,0,0]=4 1363 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,1,0,0,1,0|1,0,0]=3 1364 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,1,0,0,1,0|1,0,0]=3 1365 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,1,0,0,1,0|1,0,0]=3 1366 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,1,0,0,1,0|1,0,0]=3 1367 B12R1.3 CCN(COC)c1ccccc1 2230a_100000210013_100000766300 [0,1,0,0,1,0|2,0,0]=4 1368 B12R1.3 CCN(COC)c1ccccc1 269982a_100000210013_100000766300 [0,1,0,0,1,0|2,0,0]=4 1369 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,1,0,0,1,0|2,0,0]=4 1370 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,1,0,0,1,0|2,0,0]=4 1371 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,1,0,0,1,0|2,0,0]=4 1372 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,1,0,0,1,0|2,0,0]=4 1373 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,1,0,0,1,0|1,0,0]=3 1374 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,1,0,0,1,0|1,0,0]=3 1375 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,1,0,0,1,0|2,0,0]=4 1376 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,1,0,0,1,0|2,0,0]=4 1377 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,1,0,0,1,0|2,0,0]=4 1378 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,1,0,0,1,0|2,0,0]=4 1379 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,1,0,0,1,0|2,0,0]=4 1380 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,1,0,0,1,0|1,0,0]=3 1381 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,1,0,0,1,0|2,0,0]=4 1382 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,1,0,0,1,0|1,0,0]=3 1383 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,1,0,0,1,0|1,0,0]=3 1384 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,1,0,0,1,0|1,0,0]=3 1385 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,1,0,0,1,0|0,0,0]=2 1386 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,1,0,0,1,0|0,0,0]=2 1387 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,1,0,0,1,0|0,0,0]=2 1388 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,1,0,0,1,0|0,0,0]=2 1389 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,1,0,0,1,0|1,0,0]=3 1390 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,1,0,0,1,0|1,0,0]=3 1391 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,1,0,0,1,0|1,0,1]=4 1392 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,1,0,0,1,0|1,0,0]=3 1393 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,1,0,0,1,0|1,0,0]=3 1394 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,1,0,0,1,0|1,1,0]=4 1395 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,1,0,0,1,0|1,1,0]=4 1396 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,1,0,0,1,0|2,0,0]=4 1397 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,1,0,0,1,0|2,0,0]=4 1398 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,1,0,0,1,0|2,0,0]=4 1399 B12R1.3 N#CC(OCF)c1ccccc1 7a_100011217353_100015361967 [0,1,0,0,1,0|2,0,0]=4 1400 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,1,0,0,1,0|2,0,0]=4 1401 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,1,0,0,1,0|2,0,0]=4 1402 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,1,0,0,1,0|1,0,0]=3 1403 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,1,0,0,1,0|1,0,1]=4 1404 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,1,0,0,1,0|1,0,0]=3 1405 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,1,0,0,1,0|1,0,0]=3 1406 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,1,0,0,1,0|1,1,0]=4 1407 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,1,0,0,1,0|1,1,0]=4 1408 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 34a_100011470666_200000210301 [0,1,0,0,1,0|1,0,1]=4 1409 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 7a_100011470666_200000210301 [0,1,0,0,1,0|1,0,1]=4 1410 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 34a_100011470666_200025704644 [0,1,0,0,1,0|1,0,1]=4 1411 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 7a_100011470666_200025704644 [0,1,0,0,1,0|1,0,1]=4 1412 B12R1.12 CCC(NC)c1ccc(cc1)Br 269862a_106832991636_100000211647 [0,1,0,0,1,0|2,0,0]=4 1413 B12R1.12 CCC(NC)c1ccc(cc1)C 2230a_100000749201_200000210301 [0,1,0,0,1,0|2,0,0]=4 1414 B12R1.12 CCC(NC)c1ccc(cc1)C 269862a_106832991636_100000185863 [0,1,0,0,1,0|2,0,0]=4 1415 B12R1.12 CCC(NC)c1ccc(cc1)C 34a_100000749201_200000210301 [0,1,0,0,1,0|2,0,0]=4 1416 B12R1.12 CCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000210983 [0,1,0,0,1,0|2,0,0]=4 1417 B12R1.12 CCC(NC)c1ccc(cc1)F 2230a_100011191751_200000210301 [0,1,0,0,1,0|2,0,0]=4 1418 B12R1.12 CCC(NC)c1ccc(cc1)F 269862a_106832991636_100000211089 [0,1,0,0,1,0|2,0,0]=4 1419 B12R1.12 CCC(NC)c1ccc(cc1)F 34a_100011191751_200000210301 [0,1,0,0,1,0|2,0,0]=4 1420 B12R1.12 CCC(NC)c1ccc(cc1)I 269862a_106832991636_100000763097 [0,1,0,0,1,0|2,0,0]=4 1421 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [0,1,0,0,1,0|2,0,0]=4 1422 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [0,1,0,0,1,0|2,0,0]=4 1423 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 2230a_100000749201_200025704644 [0,1,0,0,1,0|2,0,0]=4 1424 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 34a_100000749201_200025704644 [0,1,0,0,1,0|2,0,0]=4 1425 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 2230a_100011191751_200025704644 [0,1,0,0,1,0|2,0,0]=4 1426 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 34a_100011191751_200025704644 [0,1,0,0,1,0|2,0,0]=4 1427 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [0,1,0,0,1,0|2,0,0]=4 1428 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [0,1,0,0,1,0|1,0,0]=3 1429 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [0,1,0,0,1,0|1,0,0]=3 1430 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [0,1,0,0,1,0|1,0,0]=3 1431 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [0,1,0,0,1,0|1,0,0]=3 1432 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [0,1,0,0,1,0|1,0,0]=3 1433 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [0,1,0,0,1,0|1,0,0]=3 1434 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [0,1,0,0,1,0|1,0,0]=3 1435 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [0,1,0,0,1,0|1,0,0]=3 1436 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [0,1,0,0,1,0|1,0,0]=3 1437 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [0,1,0,0,1,0|1,0,0]=3 1438 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [0,1,0,0,1,0|1,0,0]=3 1439 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [0,1,0,0,1,0|1,0,0]=3 1440 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [0,1,0,0,1,0|1,0,0]=3 1441 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [0,1,0,0,1,0|1,0,0]=3 1442 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [0,1,0,0,1,0|1,0,0]=3 1443 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [0,1,0,0,1,0|1,0,0]=3 1444 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 2230a_100025736560_200000210301 [0,1,0,0,1,0|2,0,0]=4 1445 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 34a_100025736560_200000210301 [0,1,0,0,1,0|2,0,0]=4 1446 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 2230a_100015186824_200000210301 [0,1,0,0,1,0|2,0,0]=4 1447 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 34a_100015186824_200000210301 [0,1,0,0,1,0|2,0,0]=4 1448 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100025736560_200025704644 [0,1,0,0,1,0|2,0,0]=4 1449 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 34a_100025736560_200025704644 [0,1,0,0,1,0|2,0,0]=4 1450 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015186824_200025704644 [0,1,0,0,1,0|2,0,0]=4 1451 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 34a_100015186824_200025704644 [0,1,0,0,1,0|2,0,0]=4 1452 B12R1.12 COC(CCl)c1ccc(cc1)Cl 34a_200011996143_200000210301 [0,1,0,0,1,0|2,0,0]=4 1453 B12R1.12 COC(CCl)c1ccc(cc1)Cl 7a_200011996143_200000210301 [0,1,0,0,1,0|2,0,0]=4 1454 B12R1.12 COC(CN)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,1,0,0,1,0|2,0,0]=4 1455 B12R1.12 COC(CN)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,1,0,0,1,0|2,0,0]=4 1456 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [0,1,0,0,1,0|0,0,0]=2 1457 B12R1.12 COC(OC)c1ccc(cn1)O 271570a_203496583355_100010270258 [0,1,0,0,1,0|1,0,0]=3 1458 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_200000210301 [0,1,0,0,1,0|2,0,0]=4 1459 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_200000210301 [0,1,0,0,1,0|2,0,0]=4 1460 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200000210301 [0,1,0,0,1,0|2,0,0]=4 1461 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200000210301 [0,1,0,0,1,0|2,0,0]=4 1462 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 34a_200009814964_200025704644 [0,1,0,0,1,0|2,0,0]=4 1463 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 7a_200009814964_200025704644 [0,1,0,0,1,0|2,0,0]=4 1464 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 34a_200011996143_200025704644 [0,1,0,0,1,0|2,0,0]=4 1465 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 7a_200011996143_200025704644 [0,1,0,0,1,0|2,0,0]=4 1466 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,1,0,0,1,0|2,0,0]=4 1467 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,1,0,0,1,0|2,0,0]=4 1468 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200025704644 [0,1,0,0,1,0|2,0,0]=4 1469 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200025704644 [0,1,0,0,1,0|2,0,0]=4 1470 B12R1.13 CCC(NC)c1cccc(c1)Br 269862a_106832991636_100000211677 [0,1,0,0,1,0|2,0,0]=4 1471 B12R1.13 CCC(NC)c1cccc(c1)C 269862a_106832991636_100000730664 [0,1,0,0,1,0|2,0,0]=4 1472 B12R1.13 CCC(NC)c1cccc(c1)Cl 2230a_100000737531_200000210301 [0,1,0,0,1,0|2,0,0]=4 1473 B12R1.13 CCC(NC)c1cccc(c1)Cl 269862a_106832991636_100000211052 [0,1,0,0,1,0|2,0,0]=4 1474 B12R1.13 CCC(NC)c1cccc(c1)Cl 34a_100000737531_200000210301 [0,1,0,0,1,0|2,0,0]=4 1475 B12R1.13 CCC(NC)c1cccc(c1)F 2230a_100159265421_200000210301 [0,1,0,0,1,0|2,0,0]=4 1476 B12R1.13 CCC(NC)c1cccc(c1)F 269862a_106832991636_100000687998 [0,1,0,0,1,0|2,0,0]=4 1477 B12R1.13 CCC(NC)c1cccc(c1)F 34a_100159265421_200000210301 [0,1,0,0,1,0|2,0,0]=4 1478 B12R1.13 CCC(NC)c1cccc(c1)O 2230a_100159312145_200000210301 [0,1,0,0,1,0|2,0,0]=4 1479 B12R1.13 CCC(NC)c1cccc(c1)O 269862a_106832991636_100011996911 [0,1,0,0,1,0|2,0,0]=4 1480 B12R1.13 CCC(NC)c1cccc(c1)O 34a_100159312145_200000210301 [0,1,0,0,1,0|2,0,0]=4 1481 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 2230a_100000737531_200025704644 [0,1,0,0,1,0|2,0,0]=4 1482 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 34a_100000737531_200025704644 [0,1,0,0,1,0|2,0,0]=4 1483 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 2230a_100159265421_200025704644 [0,1,0,0,1,0|2,0,0]=4 1484 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 34a_100159265421_200025704644 [0,1,0,0,1,0|2,0,0]=4 1485 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 2230a_100159312145_200025704644 [0,1,0,0,1,0|2,0,0]=4 1486 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 34a_100159312145_200025704644 [0,1,0,0,1,0|2,0,0]=4 1487 B12R1.13 CCC(OC)c1cccc(c1)Cl 34a_100000766619_200000210301 [0,1,0,0,1,0|1,0,0]=3 1488 B12R1.13 CCC(OC)c1cccc(c1)Cl 7a_100000766619_200000210301 [0,1,0,0,1,0|1,0,0]=3 1489 B12R1.13 CCC(OC)c1cccc(c1)F 34a_100011350881_200000210301 [0,1,0,0,1,0|1,0,0]=3 1490 B12R1.13 CCC(OC)c1cccc(c1)F 7a_100011350881_200000210301 [0,1,0,0,1,0|1,0,0]=3 1491 B12R1.13 CCC(OC)c1cccc(c1)I 34a_200013212081_200000210301 [0,1,0,0,1,0|1,0,0]=3 1492 B12R1.13 CCC(OC)c1cccc(c1)I 7a_200013212081_200000210301 [0,1,0,0,1,0|1,0,0]=3 1493 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 34a_100000766619_200025704644 [0,1,0,0,1,0|1,0,0]=3 1494 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 7a_100000766619_200025704644 [0,1,0,0,1,0|1,0,0]=3 1495 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 34a_100011350881_200025704644 [0,1,0,0,1,0|1,0,0]=3 1496 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 7a_100011350881_200025704644 [0,1,0,0,1,0|1,0,0]=3 1497 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 34a_200013212081_200025704644 [0,1,0,0,1,0|1,0,0]=3 1498 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 7a_200013212081_200025704644 [0,1,0,0,1,0|1,0,0]=3 1499 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 2230a_200016991486_200000210301 [0,1,0,0,1,0|2,0,0]=4 1500 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 34a_200016991486_200000210301 [0,1,0,0,1,0|2,0,0]=4 1501 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 2230a_200016991486_200025704644 [0,1,0,0,1,0|2,0,0]=4 1502 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 34a_200016991486_200025704644 [0,1,0,0,1,0|2,0,0]=4 1503 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 2230a_100102422761_200000210301 [0,1,0,0,1,0|2,0,0]=4 1504 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 34a_100102422761_200000210301 [0,1,0,0,1,0|2,0,0]=4 1505 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 2230a_100102422761_200025704644 [0,1,0,0,1,0|2,0,0]=4 1506 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 34a_100102422761_200025704644 [0,1,0,0,1,0|2,0,0]=4 1507 B12R1.13 COC(OC)c1cccc(c1)O 271570a_203496583355_100009816312 [0,1,0,0,1,0|0,0,0]=2 1508 B12R1.13 COC(OC)c1cncc(c1)O 271570a_203496583355_100010232022 [0,1,0,0,1,0|1,0,0]=3 1509 B12R1.243 CCC(NC)c1ccccc1C 269862a_106832991636_100011350723 [0,1,0,0,1,0|2,0,0]=4 1510 B12R1.243 CCC(NC)c1ccccc1Cl 269862a_106832991636_100011400563 [0,1,0,0,1,0|2,0,0]=4 1511 B12R1.243 CCC(NC)c1ccccc1F 269862a_106832991636_100000686739 [0,1,0,0,1,0|2,0,0]=4 1512 B12R1.243 CCC(OC)c1ccccc1F 34a_200011689290_200000210301 [0,1,0,0,1,0|1,0,0]=3 1513 B12R1.243 CCC(OC)c1ccccc1F 7a_200011689290_200000210301 [0,1,0,0,1,0|1,0,0]=3 1514 B12R1.243 CCC(O[13CH3])c1ccccc1F 34a_200011689290_200025704644 [0,1,0,0,1,0|1,0,0]=3 1515 B12R1.243 CCC(O[13CH3])c1ccccc1F 7a_200011689290_200025704644 [0,1,0,0,1,0|1,0,0]=3 1516 B12R1.243 CC[C@H](NC)c1ccccc1Cl 2230a_200016987949_200000210301 [0,1,0,0,1,0|2,0,0]=4 1517 B12R1.243 CC[C@H](NC)c1ccccc1Cl 34a_200016987949_200000210301 [0,1,0,0,1,0|2,0,0]=4 1518 B12R1.243 CC[C@H](NC)c1ccccc1F 2230a_100015190424_200000210301 [0,1,0,0,1,0|2,0,0]=4 1519 B12R1.243 CC[C@H](NC)c1ccccc1F 34a_100015190424_200000210301 [0,1,0,0,1,0|2,0,0]=4 1520 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 2230a_200016987949_200025704644 [0,1,0,0,1,0|2,0,0]=4 1521 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 34a_200016987949_200025704644 [0,1,0,0,1,0|2,0,0]=4 1522 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 2230a_100015190424_200025704644 [0,1,0,0,1,0|2,0,0]=4 1523 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 34a_100015190424_200025704644 [0,1,0,0,1,0|2,0,0]=4 1524 B12R1.243 COC(C#N)c1ccccc1Cl 7a_200011294979_200000210301 [0,1,0,0,1,0|2,0,0]=4 1525 B12R1.243 COC(CN)c1ccccc1Br 34a_100011236429_200000210301 [0,1,0,0,1,0|2,0,0]=4 1526 B12R1.243 COC(CN)c1ccccc1Cl 34a_200000759403_200000210301 [0,1,0,0,1,0|2,0,0]=4 1527 B12R1.243 COC(OC)c1ccccc1O 271570a_203496583355_100010185899 [0,1,0,0,1,0|0,0,0]=2 1528 B12R1.243 [13CH3]OC(C#N)c1ccccc1Cl 7a_200011294979_200025704644 [0,1,0,0,1,0|2,0,0]=4 1529 B12R1.243 [13CH3]OC(CN)c1ccccc1Br 34a_100011236429_200025704644 [0,1,0,0,1,0|2,0,0]=4 1530 B12R1.243 [13CH3]OC(CN)c1ccccc1Cl 34a_200000759403_200025704644 [0,1,0,0,1,0|2,0,0]=4 1531 B12R1.475 C#CC(C)(OC)c1ccccc1 34a_100000198054_200000210301 [0,1,0,0,1,0|1,0,1]=4 1532 B12R1.475 C#CC(C)(OC)c1ccccc1 7a_100000198054_200000210301 [0,1,0,0,1,0|1,0,1]=4 1533 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 34a_100000198054_200025704644 [0,1,0,0,1,0|1,0,1]=4 1534 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 7a_100000198054_200025704644 [0,1,0,0,1,0|1,0,1]=4 1535 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [0,1,0,0,1,0|1,0,0]=3 1536 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [0,1,0,0,1,0|1,0,0]=3 1537 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,1,0,0,1,0|1,0,0]=3 1538 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,1,0,0,1,0|1,0,0]=3 1539 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,1,0,0,1,0|1,0,0]=3 1540 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,1,0,0,1,0|1,0,0]=3 1541 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,1,0,0,1,0|1,1,0]=4 1542 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,1,0,0,1,0|1,1,0]=4 1543 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,1,0,0,1,0|1,0,0]=3 1544 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,1,0,0,1,0|1,0,0]=3 1545 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,1,0,0,1,0|2,0,0]=4 1546 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,1,0,0,1,0|2,0,0]=4 1547 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,0,0,1,0|2,0,0]=4 1548 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,0,0,1,0|2,0,0]=4 1549 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,1,0,0,1,0|2,0,0]=4 1550 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,1,0,0,1,0|2,0,0]=4 1551 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,1,0,0,1,0|2,0,0]=4 1552 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,1,0,0,1,0|2,0,0]=4 1553 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,0,0,1,0|2,0,0]=4 1554 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,0,0,1,0|2,0,0]=4 1555 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,1,0,0,1,0|2,0,0]=4 1556 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,1,0,0,1,0|2,0,0]=4 1557 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,1,0,0,1,0|2,0,0]=4 1558 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,0,0,1,0|2,0,0]=4 1559 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,0,0,1,0|2,0,0]=4 1560 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,1,0,0,1,0|1,0,0]=3 1561 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,1,0,0,1,0|1,0,0]=3 1562 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,0,0,1,0|1,0,0]=3 1563 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,0,0,1,0|1,0,0]=3 1564 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,1,0,0,1,0|1,1,0]=4 1565 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,1,0,0,1,0|1,1,0]=4 1566 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,1,0,0,1,0|2,0,0]=4 1567 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,0,0,1,0|2,0,0]=4 1568 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,0,0,1,0|2,0,0]=4 1569 B14R1.58 CCC(CC)CC(=O)c1ccccc1 1458a_100000185807_100011215472 [0,1,0,0,0,1|2,0,0]=4 1570 B14R1.58 CCC(CC)CN(C)c1ccccc1 2230a_100000210012_100011215472 [0,1,0,0,0,1|2,0,0]=4 1571 B14R1.58 CCC(CC)CN(C)c1ccccc1 269982a_100000210012_100011215472 [0,1,0,0,0,1|2,0,0]=4 1572 B14R1.58 CCC(CC)CN(C)c1ccccc1 34a_100000210012_100011215472 [0,1,0,0,0,1|2,0,0]=4 1573 B14R1.58 CCC(CC)NC(C)c1ccccc1 2230a_100000199018_100000230085 [0,1,0,0,0,1|2,0,0]=4 1574 B14R1.58 CCC(CC)NC(C)c1ccccc1 269862a_100000199018_100000185851 [0,1,0,0,0,1|2,0,0]=4 1575 B14R1.58 CCC(CC)N[C@H](C)c1ccccc1 270004a_100000751104_100000210860 [0,1,0,0,0,1|2,0,0]=4 1576 B14R1.58 CCC(CC)OC(C)c1ccccc1 7a_100000688536_100000230085 [0,1,0,0,0,1|2,0,0]=4 1577 B14R1.58 CCC(CC)O[C@H](C)c1ccccc1 7a_100000761318_100000210505 [0,1,0,0,0,1|2,0,0]=4 1578 B14R1.58 CCC(CC)SC(C)c1ccccc1 62a_100000210505_100000230085 [0,1,0,0,0,1|2,0,0]=4 1579 B14R1.58 CCC(CC)SC(C)c1ccccc1 62a_100000230085_100000210505 [0,1,0,0,0,1|2,0,0]=4 1580 B14R1.58 COC(CC(=O)c1ccccc1)OC 1458a_100000185807_100000751394 [0,1,0,0,0,1|0,0,0]=2 1581 B14R1.58 COC(CN(C)c1ccccc1)OC 2230a_100000210012_100000751394 [0,1,0,0,0,1|0,0,0]=2 1582 B14R1.58 COC(CN(C)c1ccccc1)OC 34a_100000210012_100000211822 [0,1,0,0,0,1|0,0,0]=2 1583 B14R1.58 COC(CN(C)c1cccnn1)OC 27a_100000225562_100016991348 [0,1,0,0,0,1|2,0,0]=4 1584 B14R1.58 COC(CN(C)c1ccncn1)OC 27a_100000225562_100000703185 [0,1,0,0,0,1|2,0,0]=4 1585 B14R1.58 COC(CN(C)c1cnccn1)OC 27a_100000225562_100000211759 [0,1,0,0,0,1|2,0,0]=4 1586 B14R1.58 COC(CN(C)c1ncccn1)OC 27a_100000225562_100000211032 [0,1,0,0,0,1|2,0,0]=4 1587 B14R1.387 CCC(CC)CNc1ccccc1Br 34a_100000210017_100011215472 [0,1,0,0,0,1|2,0,0]=4 1588 B14R1.387 CCC(CC)CNc1ccccc1C 34a_100015192222_100011215472 [0,1,0,0,0,1|2,0,0]=4 1589 B14R1.387 CCC(CC)CNc1ccccc1Cl 34a_100000185783_100011215472 [0,1,0,0,0,1|2,0,0]=4 1590 B14R1.387 CCC(CC)CNc1ccccc1F 34a_100000210422_100011215472 [0,1,0,0,0,1|2,0,0]=4 1591 B14R1.387 CCC(CC)CNc1ccccc1I 34a_100000210053_100011215472 [0,1,0,0,0,1|2,0,0]=4 1592 B14R1.387 CCC(CC)CNc1ccccc1O 34a_100000185747_100011215472 [0,1,0,0,0,1|2,0,0]=4 1593 B14R1.387 CCC(CC)COc1ccccc1Br 34a_100000181306_100011215472 [0,1,0,0,0,1|2,0,0]=4 1594 B14R1.387 CCC(CC)COc1ccccc1Br 7a_100000181306_100011215472 [0,1,0,0,0,1|2,0,0]=4 1595 B14R1.387 CCC(CC)COc1ccccc1C 34a_100000210338_100011215472 [0,1,0,0,0,1|2,0,0]=4 1596 B14R1.387 CCC(CC)COc1ccccc1C 7a_100000210338_100011215472 [0,1,0,0,0,1|2,0,0]=4 1597 B14R1.387 CCC(CC)COc1ccccc1Cl 34a_100000210172_100011215472 [0,1,0,0,0,1|2,0,0]=4 1598 B14R1.387 CCC(CC)COc1ccccc1Cl 7a_100000210172_100011215472 [0,1,0,0,0,1|2,0,0]=4 1599 B14R1.387 CCC(CC)COc1ccccc1F 34a_100000210171_100011215472 [0,1,0,0,0,1|2,0,0]=4 1600 B14R1.387 CCC(CC)COc1ccccc1F 7a_100000210171_100011215472 [0,1,0,0,0,1|2,0,0]=4 1601 B14R1.387 CCC(CC)COc1ccccc1I 34a_100000739446_100011215472 [0,1,0,0,0,1|2,0,0]=4 1602 B14R1.387 CCC(CC)COc1ccccc1I 7a_100000739446_100011215472 [0,1,0,0,0,1|2,0,0]=4 1603 B14R1.387 CCC(CC)COc1ccccc1N 34a_100000185747_100011215472 [0,1,0,0,0,1|2,0,0]=4 1604 B14R1.387 CCC(CC)COc1ccccc1N 7a_100000185747_100011215472 [0,1,0,0,0,1|2,0,0]=4 1605 B14R1.387 CCC(CC)CSc1ccccc1Br 62a_100000695589_100011215472 [0,1,0,0,0,1|2,0,0]=4 1606 B14R1.387 CCC(CC)CSc1ccccc1Br 62a_100011215472_100000695589 [0,1,0,0,0,1|2,0,0]=4 1607 B14R1.387 CCC(CC)CSc1ccccc1C 62a_100000210755_100011215472 [0,1,0,0,0,1|2,0,0]=4 1608 B14R1.387 CCC(CC)CSc1ccccc1C 62a_100011215472_100000210755 [0,1,0,0,0,1|2,0,0]=4 1609 B14R1.387 CCC(CC)CSc1ccccc1Cl 62a_100000764095_100011215472 [0,1,0,0,0,1|2,0,0]=4 1610 B14R1.387 CCC(CC)CSc1ccccc1Cl 62a_100011215472_100000764095 [0,1,0,0,0,1|2,0,0]=4 1611 B14R1.387 CCC(CC)CSc1ccccc1F 62a_100011215472_100011215700 [0,1,0,0,0,1|2,0,0]=4 1612 B14R1.387 CCC(CC)CSc1ccccc1F 62a_100011215700_100011215472 [0,1,0,0,0,1|2,0,0]=4 1613 B14R1.387 CCC(CC)CSc1ccccc1N 62a_100000210017_100011215472 [0,1,0,0,0,1|2,0,0]=4 1614 B14R1.387 CCC(CC)CSc1ccccc1N 62a_100011215472_100000210017 [0,1,0,0,0,1|2,0,0]=4 1615 B14R1.387 CCC(CC)CSc1ccccc1O 62a_100000739446_100011215472 [0,1,0,0,0,1|2,0,0]=4 1616 B14R1.387 CCC(CC)CSc1ccccc1O 62a_100011215472_100000739446 [0,1,0,0,0,1|2,0,0]=4 1617 B14R1.387 CCC(CC)NCc1ccccc1Br 207a_100000199018_100000211189 [0,1,0,0,0,1|2,0,0]=4 1618 B14R1.387 CCC(CC)NCc1ccccc1Br 2230a_100000199018_100000184730 [0,1,0,0,0,1|2,0,0]=4 1619 B14R1.387 CCC(CC)NCc1ccccc1Br 270004a_100000199018_100000211189 [0,1,0,0,0,1|2,0,0]=4 1620 B14R1.387 CCC(CC)NCc1ccccc1Br 270004a_100000689332_100000210860 [0,1,0,0,0,1|2,0,0]=4 1621 B14R1.387 CCC(CC)NCc1ccccc1C 207a_100000199018_100000211143 [0,1,0,0,0,1|2,0,0]=4 1622 B14R1.387 CCC(CC)NCc1ccccc1C 2230a_100000199018_100000211839 [0,1,0,0,0,1|2,0,0]=4 1623 B14R1.387 CCC(CC)NCc1ccccc1C 270004a_100000174972_100000210860 [0,1,0,0,0,1|2,0,0]=4 1624 B14R1.387 CCC(CC)NCc1ccccc1C 270004a_100000199018_100000211143 [0,1,0,0,0,1|2,0,0]=4 1625 B14R1.387 CCC(CC)NCc1ccccc1Cl 207a_100000199018_100000210073 [0,1,0,0,0,1|2,0,0]=4 1626 B14R1.387 CCC(CC)NCc1ccccc1Cl 2230a_100000199018_100000187162 [0,1,0,0,0,1|2,0,0]=4 1627 B14R1.387 CCC(CC)NCc1ccccc1Cl 270004a_100000174879_100000210860 [0,1,0,0,0,1|2,0,0]=4 1628 B14R1.387 CCC(CC)NCc1ccccc1Cl 270004a_100000199018_100000210073 [0,1,0,0,0,1|2,0,0]=4 1629 B14R1.387 CCC(CC)NCc1ccccc1F 207a_100000199018_100000210811 [0,1,0,0,0,1|2,0,0]=4 1630 B14R1.387 CCC(CC)NCc1ccccc1F 2230a_100000199018_100000211605 [0,1,0,0,0,1|2,0,0]=4 1631 B14R1.387 CCC(CC)NCc1ccccc1F 270004a_100000174869_100000210860 [0,1,0,0,0,1|2,0,0]=4 1632 B14R1.387 CCC(CC)NCc1ccccc1F 270004a_100000199018_100000210811 [0,1,0,0,0,1|2,0,0]=4 1633 B14R1.387 CCC(CC)NCc1ccccc1I 207a_100000199018_100000010305 [0,1,0,0,0,1|2,0,0]=4 1634 B14R1.387 CCC(CC)NCc1ccccc1I 2230a_100000199018_100011215278 [0,1,0,0,0,1|2,0,0]=4 1635 B14R1.387 CCC(CC)NCc1ccccc1I 270004a_100000199018_100000010305 [0,1,0,0,0,1|2,0,0]=4 1636 B14R1.387 CCC(CC)NCc1ccccc1I 270004a_100015347259_100000210860 [0,1,0,0,0,1|2,0,0]=4 1637 B14R1.387 CCC(CC)NCc1ccccc1O 270004a_100000185550_100000210860 [0,1,0,0,0,1|2,0,0]=4 1638 B14R1.387 CCC(CC)OCc1ccccc1Br 7a_100000688536_100000184730 [0,1,0,0,0,1|2,0,0]=4 1639 B14R1.387 CCC(CC)OCc1ccccc1Br 7a_100000756307_100000210505 [0,1,0,0,0,1|2,0,0]=4 1640 B14R1.387 CCC(CC)OCc1ccccc1C 7a_100000688536_100000211839 [0,1,0,0,0,1|2,0,0]=4 1641 B14R1.387 CCC(CC)OCc1ccccc1C 7a_100000698903_100000210505 [0,1,0,0,0,1|2,0,0]=4 1642 B14R1.387 CCC(CC)OCc1ccccc1Cl 7a_100000210847_100000210505 [0,1,0,0,0,1|2,0,0]=4 1643 B14R1.387 CCC(CC)OCc1ccccc1Cl 7a_100000688536_100000187162 [0,1,0,0,0,1|2,0,0]=4 1644 B14R1.387 CCC(CC)OCc1ccccc1F 7a_100000211962_100000210505 [0,1,0,0,0,1|2,0,0]=4 1645 B14R1.387 CCC(CC)OCc1ccccc1F 7a_100000688536_100000211605 [0,1,0,0,0,1|2,0,0]=4 1646 B14R1.387 CCC(CC)OCc1ccccc1I 7a_100000187465_100000210505 [0,1,0,0,0,1|2,0,0]=4 1647 B14R1.387 CCC(CC)OCc1ccccc1I 7a_100000688536_100011215278 [0,1,0,0,0,1|2,0,0]=4 1648 B14R1.387 CCC(CC)SCc1ccccc1Br 62a_100000184730_100000210505 [0,1,0,0,0,1|2,0,0]=4 1649 B14R1.387 CCC(CC)SCc1ccccc1Br 62a_100000210505_100000184730 [0,1,0,0,0,1|2,0,0]=4 1650 B14R1.387 CCC(CC)SCc1ccccc1C 62a_100000210505_100000211839 [0,1,0,0,0,1|2,0,0]=4 1651 B14R1.387 CCC(CC)SCc1ccccc1C 62a_100000211839_100000210505 [0,1,0,0,0,1|2,0,0]=4 1652 B14R1.387 CCC(CC)SCc1ccccc1Cl 62a_100000187162_100000210505 [0,1,0,0,0,1|2,0,0]=4 1653 B14R1.387 CCC(CC)SCc1ccccc1Cl 62a_100000210505_100000187162 [0,1,0,0,0,1|2,0,0]=4 1654 B14R1.387 CCC(CC)SCc1ccccc1F 62a_100000210505_100000211605 [0,1,0,0,0,1|2,0,0]=4 1655 B14R1.387 CCC(CC)SCc1ccccc1F 62a_100000211605_100000210505 [0,1,0,0,0,1|2,0,0]=4 1656 B14R1.387 CCC(CC)SCc1ccccc1I 62a_100000210505_100011216222 [0,1,0,0,0,1|2,0,0]=4 1657 B14R1.387 CCC(CC)SCc1ccccc1I 62a_100011216222_100000210505 [0,1,0,0,0,1|2,0,0]=4 1658 B14R1.387 CCC(CNc1ccncc1Br)OC 27a_100000731041_100000726257 [0,1,0,0,0,1|2,0,0]=4 1659 B14R1.387 CCC(CNc1ccncc1C)OC 27a_100000731041_100000765111 [0,1,0,0,0,1|2,0,0]=4 1660 B14R1.387 CCC(CNc1ccncc1F)OC 27a_100000731041_100000035921 [0,1,0,0,0,1|2,0,0]=4 1661 B14R1.387 CCC(CNc1ncccc1Br)OC 27a_100000731041_100000696092 [0,1,0,0,0,1|2,0,0]=4 1662 B14R1.387 COC(CNc1ccccc1Br)OC 34a_100000210017_100000211822 [0,1,0,0,0,1|0,0,0]=2 1663 B14R1.387 COC(CNc1ccccc1C)OC 34a_100015192222_100000211822 [0,1,0,0,0,1|0,0,0]=2 1664 B14R1.387 COC(CNc1ccccc1Cl)OC 34a_100000185783_100000211822 [0,1,0,0,0,1|0,0,0]=2 1665 B14R1.387 COC(CNc1ccccc1F)OC 34a_100000210422_100000211822 [0,1,0,0,0,1|0,0,0]=2 1666 B14R1.387 COC(CNc1ccccc1I)OC 34a_100000210053_100000211822 [0,1,0,0,0,1|0,0,0]=2 1667 B14R1.387 COC(CNc1ccccc1O)OC 34a_100000185747_100000211822 [0,1,0,0,0,1|0,0,0]=2 1668 B14R1.387 COC(COc1cccc[n+]1[O-])OC 7a_100000211761_100000751394 [0,1,0,0,0,1|1,0,0]=3 1669 B14R1.387 COC(COc1ccccc1Br)OC 34a_100000181306_100000211822 [0,1,0,0,0,1|0,0,0]=2 1670 B14R1.387 COC(COc1ccccc1Br)OC 7a_100000181306_100000751394 [0,1,0,0,0,1|0,0,0]=2 1671 B14R1.387 COC(COc1ccccc1C)OC 34a_100000210338_100000211822 [0,1,0,0,0,1|0,0,0]=2 1672 B14R1.387 COC(COc1ccccc1C)OC 7a_100000210338_100000751394 [0,1,0,0,0,1|0,0,0]=2 1673 B14R1.387 COC(COc1ccccc1Cl)OC 34a_100000210172_100000211822 [0,1,0,0,0,1|0,0,0]=2 1674 B14R1.387 COC(COc1ccccc1Cl)OC 7a_100000210172_100000751394 [0,1,0,0,0,1|0,0,0]=2 1675 B14R1.387 COC(COc1ccccc1F)OC 34a_100000210171_100000211822 [0,1,0,0,0,1|0,0,0]=2 1676 B14R1.387 COC(COc1ccccc1F)OC 7a_100000210171_100000751394 [0,1,0,0,0,1|0,0,0]=2 1677 B14R1.387 COC(COc1ccccc1I)OC 34a_100000739446_100000211822 [0,1,0,0,0,1|0,0,0]=2 1678 B14R1.387 COC(COc1ccccc1I)OC 7a_100000739446_100000751394 [0,1,0,0,0,1|0,0,0]=2 1679 B14R1.387 COC(COc1ccccc1N)OC 34a_100000185747_100000211822 [0,1,0,0,0,1|0,0,0]=2 1680 B14R1.387 COC(COc1ccccc1N)OC 7a_100000185747_100000751394 [0,1,0,0,0,1|0,0,0]=2 1681 B14R1.387 COC(COc1cccnc1Br)OC 34a_100000744436_100000211822 [0,1,0,0,0,1|1,0,0]=3 1682 B14R1.387 COC(COc1cccnc1Br)OC 7a_100000744436_100000751394 [0,1,0,0,0,1|1,0,0]=3 1683 B14R1.387 COC(COc1cccnc1C)OC 34a_100000745507_100000211822 [0,1,0,0,0,1|1,0,0]=3 1684 B14R1.387 COC(COc1cccnc1C)OC 7a_100000745507_100000751394 [0,1,0,0,0,1|1,0,0]=3 1685 B14R1.387 COC(COc1cccnc1Cl)OC 34a_100000757616_100000211822 [0,1,0,0,0,1|1,0,0]=3 1686 B14R1.387 COC(COc1cccnc1Cl)OC 7a_100000757616_100000751394 [0,1,0,0,0,1|1,0,0]=3 1687 B14R1.387 COC(COc1cccnc1F)OC 34a_100000061740_100000211822 [0,1,0,0,0,1|1,0,0]=3 1688 B14R1.387 COC(COc1cccnc1F)OC 7a_100000061740_100000751394 [0,1,0,0,0,1|1,0,0]=3 1689 B14R1.387 COC(COc1cccnc1I)OC 34a_100000034122_100000211822 [0,1,0,0,0,1|1,0,0]=3 1690 B14R1.387 COC(COc1cccnc1I)OC 7a_100000034122_100000751394 [0,1,0,0,0,1|1,0,0]=3 1691 B14R1.387 COC(COc1cccnc1N)OC 34a_100000211975_100000211822 [0,1,0,0,0,1|1,0,0]=3 1692 B14R1.387 COC(COc1cccnc1N)OC 7a_100000211975_100000751394 [0,1,0,0,0,1|1,0,0]=3 1693 B14R1.387 COC(COc1cccoc1=O)OC 34a_100000077404_100000211822 [0,1,0,0,0,1|1,0,0]=3 1694 B14R1.387 COC(COc1cccoc1=O)OC 7a_100000077404_100000751394 [0,1,0,0,0,1|1,0,0]=3 1695 B14R1.387 COC(COc1ccncc1Br)OC 34a_100011996408_100000211822 [0,1,0,0,0,1|1,0,0]=3 1696 B14R1.387 COC(COc1ccncc1C)OC 34a_100000694293_100000211822 [0,1,0,0,0,1|1,0,0]=3 1697 B14R1.387 COC(COc1ccncc1Cl)OC 34a_100011997054_100000211822 [0,1,0,0,0,1|1,0,0]=3 1698 B14R1.387 COC(COc1ccncc1F)OC 34a_200000081243_100000211822 [0,1,0,0,0,1|1,0,0]=3 1699 B14R1.387 COC(COc1cnccc1C)OC 34a_100011997053_100000211822 [0,1,0,0,0,1|1,0,0]=3 1700 B14R1.387 COC(COc1cnccc1C)OC 7a_100011997053_100000751394 [0,1,0,0,0,1|1,0,0]=3 1701 B14R1.387 COC(COc1cnccc1Cl)OC 34a_100011996695_100000211822 [0,1,0,0,0,1|1,0,0]=3 1702 B14R1.387 COC(COc1cnccc1I)OC 34a_100000050107_100000211822 [0,1,0,0,0,1|1,0,0]=3 1703 B14R1.387 COC(COc1cnccc1N)OC 34a_100000753702_100000211822 [0,1,0,0,0,1|1,0,0]=3 1704 B14R1.387 COC(COc1cncnc1N)OC 7a_100000112926_100000751394 [0,1,0,0,0,1|2,0,0]=4 1705 B14R1.387 COC(COc1coccc1=O)OC 34a_100000060831_100000211822 [0,1,0,0,0,1|1,0,0]=3 1706 B14R1.387 COC(COc1ncccc1Cl)OC 34a_100011290957_100000211822 [0,1,0,0,0,1|1,0,0]=3 1707 B14R1.387 COC(COc1ncccc1F)OC 34a_100011219419_100000211822 [0,1,0,0,0,1|1,0,0]=3 1708 B14R1.387 COC(COc1ncccc1N)OC 34a_100000746358_100000211822 [0,1,0,0,0,1|1,0,0]=3 1709 B14R1.387 COC(COc1nccnc1C)OC 34a_100000766352_100000211822 [0,1,0,0,0,1|2,0,0]=4 1710 B14R1.387 COC(CSc1c[nH]ccc1=O)OC 62a_100000751394_100009998708 [0,1,0,0,0,1|1,0,0]=3 1711 B14R1.387 COC(CSc1c[nH]ccc1=O)OC 62a_100009998708_100000751394 [0,1,0,0,0,1|1,0,0]=3 1712 B14R1.387 COC(CSc1c[nH]ccc1=S)OC 62a_100000751394_200012280681 [0,1,0,0,0,1|1,0,0]=3 1713 B14R1.387 COC(CSc1c[nH]ccc1=S)OC 62a_200012280681_100000751394 [0,1,0,0,0,1|1,0,0]=3 1714 B14R1.387 COC(CSc1cccc[n+]1C)OC 62a_100000751394_100000212160 [0,1,0,0,0,1|1,0,0]=3 1715 B14R1.387 COC(CSc1cccc[n+]1[O-])OC 62a_100000751394_200000042595 [0,1,0,0,0,1|1,0,0]=3 1716 B14R1.387 COC(CSc1ccccc1Br)OC 62a_100000695589_100000751394 [0,1,0,0,0,1|0,0,0]=2 1717 B14R1.387 COC(CSc1ccccc1Br)OC 62a_100000751394_100000695589 [0,1,0,0,0,1|0,0,0]=2 1718 B14R1.387 COC(CSc1ccccc1C)OC 62a_100000210755_100000751394 [0,1,0,0,0,1|0,0,0]=2 1719 B14R1.387 COC(CSc1ccccc1C)OC 62a_100000751394_100000210755 [0,1,0,0,0,1|0,0,0]=2 1720 B14R1.387 COC(CSc1ccccc1Cl)OC 62a_100000751394_100000764095 [0,1,0,0,0,1|0,0,0]=2 1721 B14R1.387 COC(CSc1ccccc1Cl)OC 62a_100000764095_100000751394 [0,1,0,0,0,1|0,0,0]=2 1722 B14R1.387 COC(CSc1ccccc1F)OC 62a_100000751394_100011215700 [0,1,0,0,0,1|0,0,0]=2 1723 B14R1.387 COC(CSc1ccccc1F)OC 62a_100011215700_100000751394 [0,1,0,0,0,1|0,0,0]=2 1724 B14R1.387 COC(CSc1ccccc1N)OC 62a_100000210017_100000751394 [0,1,0,0,0,1|0,0,0]=2 1725 B14R1.387 COC(CSc1ccccc1N)OC 62a_100000751394_100000210017 [0,1,0,0,0,1|0,0,0]=2 1726 B14R1.387 COC(CSc1ccccc1O)OC 62a_100000739446_100000751394 [0,1,0,0,0,1|0,0,0]=2 1727 B14R1.387 COC(CSc1ccccc1O)OC 62a_100000751394_100000739446 [0,1,0,0,0,1|0,0,0]=2 1728 B14R1.387 COC(CSc1cccnc1Br)OC 62a_100000751394_100010202626 [0,1,0,0,0,1|1,0,0]=3 1729 B14R1.387 COC(CSc1cccnc1Br)OC 62a_100010202626_100000751394 [0,1,0,0,0,1|1,0,0]=3 1730 B14R1.387 COC(CSc1cccnc1C)OC 62a_100000751394_100000751574 [0,1,0,0,0,1|1,0,0]=3 1731 B14R1.387 COC(CSc1cccnc1C)OC 62a_100000751574_100000751394 [0,1,0,0,0,1|1,0,0]=3 1732 B14R1.387 COC(CSc1cccnc1Cl)OC 62a_100000036424_100000751394 [0,1,0,0,0,1|1,0,0]=3 1733 B14R1.387 COC(CSc1cccnc1Cl)OC 62a_100000751394_100000036424 [0,1,0,0,0,1|1,0,0]=3 1734 B14R1.387 COC(CSc1cccnc1F)OC 62a_100000751394_100009816115 [0,1,0,0,0,1|1,0,0]=3 1735 B14R1.387 COC(CSc1cccnc1F)OC 62a_100009816115_100000751394 [0,1,0,0,0,1|1,0,0]=3 1736 B14R1.387 COC(CSc1cccnc1N)OC 62a_100000045569_100000751394 [0,1,0,0,0,1|1,0,0]=3 1737 B14R1.387 COC(CSc1cccnc1N)OC 62a_100000751394_100000045569 [0,1,0,0,0,1|1,0,0]=3 1738 B14R1.387 COC(CSc1cccnc1O)OC 62a_100000751394_100000760158 [0,1,0,0,0,1|1,0,0]=3 1739 B14R1.387 COC(CSc1cccnc1O)OC 62a_100000760158_100000751394 [0,1,0,0,0,1|1,0,0]=3 1740 B14R1.387 COC(CSc1ccn[nH]c1=O)OC 62a_100000751394_100000087129 [0,1,0,0,0,1|2,0,0]=4 1741 B14R1.387 COC(CSc1ccncc1Br)OC 62a_100000726257_100000751394 [0,1,0,0,0,1|1,0,0]=3 1742 B14R1.387 COC(CSc1ccncc1Br)OC 62a_100000751394_100000726257 [0,1,0,0,0,1|1,0,0]=3 1743 B14R1.387 COC(CSc1ccncc1C)OC 62a_100000751394_100000765111 [0,1,0,0,0,1|1,0,0]=3 1744 B14R1.387 COC(CSc1ccncc1C)OC 62a_100000765111_100000751394 [0,1,0,0,0,1|1,0,0]=3 1745 B14R1.387 COC(CSc1ccncc1Cl)OC 62a_100000708259_100000751394 [0,1,0,0,0,1|1,0,0]=3 1746 B14R1.387 COC(CSc1ccncc1Cl)OC 62a_100000751394_100000708259 [0,1,0,0,0,1|1,0,0]=3 1747 B14R1.387 COC(CSc1ccncc1F)OC 62a_100000047030_100000751394 [0,1,0,0,0,1|1,0,0]=3 1748 B14R1.387 COC(CSc1ccncc1F)OC 62a_100000751394_100000047030 [0,1,0,0,0,1|1,0,0]=3 1749 B14R1.387 COC(CSc1ccncc1N)OC 62a_100000751394_100000756074 [0,1,0,0,0,1|1,0,0]=3 1750 B14R1.387 COC(CSc1ccncc1N)OC 62a_100000756074_100000751394 [0,1,0,0,0,1|1,0,0]=3 1751 B14R1.387 COC(CSc1ccncc1O)OC 62a_100000751394_100009817591 [0,1,0,0,0,1|1,0,0]=3 1752 B14R1.387 COC(CSc1ccncc1O)OC 62a_100009817591_100000751394 [0,1,0,0,0,1|1,0,0]=3 1753 B14R1.387 COC(CSc1cnccc1Br)OC 62a_100000751394_100010138639 [0,1,0,0,0,1|1,0,0]=3 1754 B14R1.387 COC(CSc1cnccc1Br)OC 62a_100010138639_100000751394 [0,1,0,0,0,1|1,0,0]=3 1755 B14R1.387 COC(CSc1cnccc1C)OC 62a_100000751394_100000761580 [0,1,0,0,0,1|1,0,0]=3 1756 B14R1.387 COC(CSc1cnccc1C)OC 62a_100000761580_100000751394 [0,1,0,0,0,1|1,0,0]=3 1757 B14R1.387 COC(CSc1cnccc1Cl)OC 62a_100000751394_100009995489 [0,1,0,0,0,1|1,0,0]=3 1758 B14R1.387 COC(CSc1cnccc1Cl)OC 62a_100009995489_100000751394 [0,1,0,0,0,1|1,0,0]=3 1759 B14R1.387 COC(CSc1cnccc1F)OC 62a_100000751394_100009820683 [0,1,0,0,0,1|1,0,0]=3 1760 B14R1.387 COC(CSc1cnccc1F)OC 62a_100009820683_100000751394 [0,1,0,0,0,1|1,0,0]=3 1761 B14R1.387 COC(CSc1cnccc1N)OC 62a_100000047001_100000751394 [0,1,0,0,0,1|1,0,0]=3 1762 B14R1.387 COC(CSc1cnccc1N)OC 62a_100000751394_100000047001 [0,1,0,0,0,1|1,0,0]=3 1763 B14R1.387 COC(CSc1cncnc1Br)OC 62a_100000751394_200012461658 [0,1,0,0,0,1|2,0,0]=4 1764 B14R1.387 COC(CSc1cncnc1Br)OC 62a_200012461658_100000751394 [0,1,0,0,0,1|2,0,0]=4 1765 B14R1.387 COC(CSc1cncnc1C)OC 62a_100000751394_100009819671 [0,1,0,0,0,1|2,0,0]=4 1766 B14R1.387 COC(CSc1cncnc1C)OC 62a_100009819671_100000751394 [0,1,0,0,0,1|2,0,0]=4 1767 B14R1.387 COC(CSc1cncnc1Cl)OC 62a_100000751394_100000758962 [0,1,0,0,0,1|2,0,0]=4 1768 B14R1.387 COC(CSc1cncnc1Cl)OC 62a_100000758962_100000751394 [0,1,0,0,0,1|2,0,0]=4 1769 B14R1.387 COC(CSc1cncnc1N)OC 62a_100000751394_100011996079 [0,1,0,0,0,1|2,0,0]=4 1770 B14R1.387 COC(CSc1cncnc1N)OC 62a_100011996079_100000751394 [0,1,0,0,0,1|2,0,0]=4 1771 B14R1.387 COC(CSc1cncnc1O)OC 62a_100000751107_100000751394 [0,1,0,0,0,1|2,0,0]=4 1772 B14R1.387 COC(CSc1cncnc1O)OC 62a_100000751394_100000751107 [0,1,0,0,0,1|2,0,0]=4 1773 B14R1.387 COC(CSc1cnncc1N)OC 62a_100000751394_100009829405 [0,1,0,0,0,1|2,0,0]=4 1774 B14R1.387 COC(CSc1cnncc1N)OC 62a_100009829405_100000751394 [0,1,0,0,0,1|2,0,0]=4 1775 B14R1.387 COC(CSc1ncc[nH]c1=O)OC 62a_100000751394_100000763361 [0,1,0,0,0,1|2,0,0]=4 1776 B14R1.387 COC(CSc1ncccc1Br)OC 62a_100000696092_100000751394 [0,1,0,0,0,1|1,0,0]=3 1777 B14R1.387 COC(CSc1ncccc1Br)OC 62a_100000751394_100000696092 [0,1,0,0,0,1|1,0,0]=3 1778 B14R1.387 COC(CSc1ncccc1C)OC 62a_100000751373_100000751394 [0,1,0,0,0,1|1,0,0]=3 1779 B14R1.387 COC(CSc1ncccc1C)OC 62a_100000751394_100000751373 [0,1,0,0,0,1|1,0,0]=3 1780 B14R1.387 COC(CSc1ncccc1Cl)OC 62a_100000751394_100011356963 [0,1,0,0,0,1|1,0,0]=3 1781 B14R1.387 COC(CSc1ncccc1Cl)OC 62a_100011356963_100000751394 [0,1,0,0,0,1|1,0,0]=3 1782 B14R1.387 COC(CSc1ncccc1F)OC 62a_100000685392_100000751394 [0,1,0,0,0,1|1,0,0]=3 1783 B14R1.387 COC(CSc1ncccc1F)OC 62a_100000751394_100000685392 [0,1,0,0,0,1|1,0,0]=3 1784 B14R1.387 COC(CSc1ncccc1N)OC 62a_100000688686_100000751394 [0,1,0,0,0,1|1,0,0]=3 1785 B14R1.387 COC(CSc1ncccc1N)OC 62a_100000751394_100000688686 [0,1,0,0,0,1|1,0,0]=3 1786 B14R1.387 COC(CSc1ncccc1O)OC 62a_100000034122_100000751394 [0,1,0,0,0,1|1,0,0]=3 1787 B14R1.387 COC(CSc1ncccc1O)OC 62a_100000751394_100000034122 [0,1,0,0,0,1|1,0,0]=3 1788 B14R1.387 COC(CSc1nccnc1C)OC 62a_100000751394_100011999405 [0,1,0,0,0,1|2,0,0]=4 1789 B14R1.387 COC(CSc1nccnc1C)OC 62a_100011999405_100000751394 [0,1,0,0,0,1|2,0,0]=4 1790 B14R1.387 COC(CSc1nccnc1Cl)OC 62a_100000751394_100010886584 [0,1,0,0,0,1|2,0,0]=4 1791 B14R1.387 COC(CSc1nccnc1Cl)OC 62a_100010886584_100000751394 [0,1,0,0,0,1|2,0,0]=4 1792 B14R1.387 COC(CSc1nccnc1F)OC 62a_100000751394_200010125657 [0,1,0,0,0,1|2,0,0]=4 1793 B14R1.387 COC(CSc1nccnc1F)OC 62a_200010125657_100000751394 [0,1,0,0,0,1|2,0,0]=4 1794 B14R1.387 COC(CSc1nccnc1N)OC 62a_100000747729_100000751394 [0,1,0,0,0,1|2,0,0]=4 1795 B14R1.387 COC(CSc1nccnc1N)OC 62a_100000751394_100000747729 [0,1,0,0,0,1|2,0,0]=4 1796 B14R1.387 COC(CSc1ncncc1C)OC 62a_100000751394_100011998708 [0,1,0,0,0,1|2,0,0]=4 1797 B14R1.387 COC(CSc1ncncc1C)OC 62a_100011998708_100000751394 [0,1,0,0,0,1|2,0,0]=4 1798 B14R1.387 COC(CSc1ncncc1F)OC 62a_100000069762_100000751394 [0,1,0,0,0,1|2,0,0]=4 1799 B14R1.387 COC(CSc1ncncc1F)OC 62a_100000751394_100000069762 [0,1,0,0,0,1|2,0,0]=4 1800 B14R1.387 COC(CSc1ncncc1N)OC 62a_100000709731_100000751394 [0,1,0,0,0,1|2,0,0]=4 1801 B14R1.387 COC(CSc1ncncc1N)OC 62a_100000751394_100000709731 [0,1,0,0,0,1|2,0,0]=4 1802 B14R1.387 COC(CSc1nnccc1C)OC 62a_100000751394_100000089043 [0,1,0,0,0,1|2,0,0]=4 1803 B14R1.529 CCC(CC)CNc1ccc(cc1)Br 2230a_100000210018_100011215472 [0,1,0,0,0,1|2,0,0]=4 1804 B14R1.529 CCC(CC)CNc1ccc(cc1)Br 34a_100000210018_100011215472 [0,1,0,0,0,1|2,0,0]=4 1805 B14R1.529 CCC(CC)CNc1ccc(cc1)C 34a_100000124888_100011215472 [0,1,0,0,0,1|2,0,0]=4 1806 B14R1.529 CCC(CC)CNc1ccc(cc1)Cl 2230a_100000210052_100011215472 [0,1,0,0,0,1|2,0,0]=4 1807 B14R1.529 CCC(CC)CNc1ccc(cc1)Cl 34a_100000210052_100011215472 [0,1,0,0,0,1|2,0,0]=4 1808 B14R1.529 CCC(CC)CNc1ccc(cc1)F 34a_100000185862_100011215472 [0,1,0,0,0,1|2,0,0]=4 1809 B14R1.529 CCC(CC)CNc1ccc(cc1)I 34a_100000185761_100011215472 [0,1,0,0,0,1|2,0,0]=4 1810 B14R1.529 CCC(CC)CNc1ccc(cc1)O 34a_100000185829_100011215472 [0,1,0,0,0,1|2,0,0]=4 1811 B14R1.529 CCC(CC)COc1ccc(cc1)Br 34a_100000185759_100011215472 [0,1,0,0,0,1|2,0,0]=4 1812 B14R1.529 CCC(CC)COc1ccc(cc1)Br 7a_100000185759_100011215472 [0,1,0,0,0,1|2,0,0]=4 1813 B14R1.529 CCC(CC)COc1ccc(cc1)C 34a_100000210336_100011215472 [0,1,0,0,0,1|2,0,0]=4 1814 B14R1.529 CCC(CC)COc1ccc(cc1)C 7a_100000210336_100011215472 [0,1,0,0,0,1|2,0,0]=4 1815 B14R1.529 CCC(CC)COc1ccc(cc1)Cl 34a_100000210216_100011215472 [0,1,0,0,0,1|2,0,0]=4 1816 B14R1.529 CCC(CC)COc1ccc(cc1)Cl 7a_100000210216_100011215472 [0,1,0,0,0,1|2,0,0]=4 1817 B14R1.529 CCC(CC)COc1ccc(cc1)F 34a_100000210339_100011215472 [0,1,0,0,0,1|2,0,0]=4 1818 B14R1.529 CCC(CC)COc1ccc(cc1)I 34a_100000212066_100011215472 [0,1,0,0,0,1|2,0,0]=4 1819 B14R1.529 CCC(CC)COc1ccc(cc1)I 7a_100000212066_100011215472 [0,1,0,0,0,1|2,0,0]=4 1820 B14R1.529 CCC(CC)COc1ccc(cc1)N 34a_100000185829_100011215472 [0,1,0,0,0,1|2,0,0]=4 1821 B14R1.529 CCC(CC)CSc1ccc(cc1)Br 62a_100000752885_100011215472 [0,1,0,0,0,1|2,0,0]=4 1822 B14R1.529 CCC(CC)CSc1ccc(cc1)Br 62a_100011215472_100000752885 [0,1,0,0,0,1|2,0,0]=4 1823 B14R1.529 CCC(CC)CSc1ccc(cc1)C 62a_100000186775_100011215472 [0,1,0,0,0,1|2,0,0]=4 1824 B14R1.529 CCC(CC)CSc1ccc(cc1)C 62a_100011215472_100000186775 [0,1,0,0,0,1|2,0,0]=4 1825 B14R1.529 CCC(CC)CSc1ccc(cc1)Cl 62a_100000755918_100011215472 [0,1,0,0,0,1|2,0,0]=4 1826 B14R1.529 CCC(CC)CSc1ccc(cc1)Cl 62a_100011215472_100000755918 [0,1,0,0,0,1|2,0,0]=4 1827 B14R1.529 CCC(CC)CSc1ccc(cc1)F 62a_100000211213_100011215472 [0,1,0,0,0,1|2,0,0]=4 1828 B14R1.529 CCC(CC)CSc1ccc(cc1)F 62a_100011215472_100000211213 [0,1,0,0,0,1|2,0,0]=4 1829 B14R1.529 CCC(CC)CSc1ccc(cc1)N 62a_100000185761_100011215472 [0,1,0,0,0,1|2,0,0]=4 1830 B14R1.529 CCC(CC)CSc1ccc(cc1)N 62a_100011215472_100000185761 [0,1,0,0,0,1|2,0,0]=4 1831 B14R1.529 CCC(CC)CSc1ccc(cc1)O 62a_100011215472_100000185759 [0,1,0,0,0,1|2,0,0]=4 1832 B14R1.529 CCC(CC)NCc1ccc(cc1)Br 207a_100000199018_100000186029 [0,1,0,0,0,1|2,0,0]=4 1833 B14R1.529 CCC(CC)NCc1ccc(cc1)Br 2230a_100000199018_100011217064 [0,1,0,0,0,1|2,0,0]=4 1834 B14R1.529 CCC(CC)NCc1ccc(cc1)Br 270004a_100000174875_100000210860 [0,1,0,0,0,1|2,0,0]=4 1835 B14R1.529 CCC(CC)NCc1ccc(cc1)Br 270004a_100000199018_100000186029 [0,1,0,0,0,1|2,0,0]=4 1836 B14R1.529 CCC(CC)NCc1ccc(cc1)C 207a_100000199018_100000211033 [0,1,0,0,0,1|2,0,0]=4 1837 B14R1.529 CCC(CC)NCc1ccc(cc1)C 2230a_100000199018_100000210814 [0,1,0,0,0,1|2,0,0]=4 1838 B14R1.529 CCC(CC)NCc1ccc(cc1)C 270004a_100000174908_100000210860 [0,1,0,0,0,1|2,0,0]=4 1839 B14R1.529 CCC(CC)NCc1ccc(cc1)C 270004a_100000199018_100000211033 [0,1,0,0,0,1|2,0,0]=4 1840 B14R1.529 CCC(CC)NCc1ccc(cc1)Cl 207a_100000199018_100000189385 [0,1,0,0,0,1|2,0,0]=4 1841 B14R1.529 CCC(CC)NCc1ccc(cc1)Cl 2230a_100000199018_100000694040 [0,1,0,0,0,1|2,0,0]=4 1842 B14R1.529 CCC(CC)NCc1ccc(cc1)Cl 270004a_100000174871_100000210860 [0,1,0,0,0,1|2,0,0]=4 1843 B14R1.529 CCC(CC)NCc1ccc(cc1)Cl 270004a_100000199018_100000189385 [0,1,0,0,0,1|2,0,0]=4 1844 B14R1.529 CCC(CC)NCc1ccc(cc1)F 207a_100000199018_100000210084 [0,1,0,0,0,1|2,0,0]=4 1845 B14R1.529 CCC(CC)NCc1ccc(cc1)F 2230a_100000199018_100000198546 [0,1,0,0,0,1|2,0,0]=4 1846 B14R1.529 CCC(CC)NCc1ccc(cc1)F 270004a_100000174882_100000210860 [0,1,0,0,0,1|2,0,0]=4 1847 B14R1.529 CCC(CC)NCc1ccc(cc1)F 270004a_100000199018_100000210084 [0,1,0,0,0,1|2,0,0]=4 1848 B14R1.529 CCC(CC)NCc1ccc(cc1)I 207a_100000199018_100000188517 [0,1,0,0,0,1|2,0,0]=4 1849 B14R1.529 CCC(CC)NCc1ccc(cc1)I 2230a_100000199018_100000189116 [0,1,0,0,0,1|2,0,0]=4 1850 B14R1.529 CCC(CC)NCc1ccc(cc1)I 270004a_100016989417_100000210860 [0,1,0,0,0,1|2,0,0]=4 1851 B14R1.529 CCC(CC)OCc1ccc(cc1)Br 7a_100000688536_100011217064 [0,1,0,0,0,1|2,0,0]=4 1852 B14R1.529 CCC(CC)OCc1ccc(cc1)C 7a_100000688536_100000210814 [0,1,0,0,0,1|2,0,0]=4 1853 B14R1.529 CCC(CC)OCc1ccc(cc1)C 7a_100011215236_100000210505 [0,1,0,0,0,1|2,0,0]=4 1854 B14R1.529 CCC(CC)OCc1ccc(cc1)Cl 7a_100000211118_100000210505 [0,1,0,0,0,1|2,0,0]=4 1855 B14R1.529 CCC(CC)OCc1ccc(cc1)Cl 7a_100000688536_100000187161 [0,1,0,0,0,1|2,0,0]=4 1856 B14R1.529 CCC(CC)OCc1ccc(cc1)F 7a_100000210977_100000210505 [0,1,0,0,0,1|2,0,0]=4 1857 B14R1.529 CCC(CC)OCc1ccc(cc1)F 7a_100000688536_100000198546 [0,1,0,0,0,1|2,0,0]=4 1858 B14R1.529 CCC(CC)OCc1ccc(cc1)I 7a_100000688536_100000189116 [0,1,0,0,0,1|2,0,0]=4 1859 B14R1.529 CCC(CC)OCc1ccc(cc1)I 7a_100000690907_100000210505 [0,1,0,0,0,1|2,0,0]=4 1860 B14R1.529 CCC(CC)SCc1ccc(cc1)Br 62a_100000189115_100000210505 [0,1,0,0,0,1|2,0,0]=4 1861 B14R1.529 CCC(CC)SCc1ccc(cc1)Br 62a_100000210505_100000189115 [0,1,0,0,0,1|2,0,0]=4 1862 B14R1.529 CCC(CC)SCc1ccc(cc1)C 62a_100000210505_100000210814 [0,1,0,0,0,1|2,0,0]=4 1863 B14R1.529 CCC(CC)SCc1ccc(cc1)C 62a_100000210814_100000210505 [0,1,0,0,0,1|2,0,0]=4 1864 B14R1.529 CCC(CC)SCc1ccc(cc1)Cl 62a_100000187161_100000210505 [0,1,0,0,0,1|2,0,0]=4 1865 B14R1.529 CCC(CC)SCc1ccc(cc1)Cl 62a_100000210505_100000187161 [0,1,0,0,0,1|2,0,0]=4 1866 B14R1.529 CCC(CC)SCc1ccc(cc1)F 62a_100000198546_100000210505 [0,1,0,0,0,1|2,0,0]=4 1867 B14R1.529 CCC(CC)SCc1ccc(cc1)F 62a_100000210505_100000187164 [0,1,0,0,0,1|2,0,0]=4 1868 B14R1.529 CCC(CC)SCc1ccc(cc1)I 62a_100000189116_100000210505 [0,1,0,0,0,1|2,0,0]=4 1869 B14R1.529 CCC(CC)SCc1ccc(cc1)I 62a_100000210505_100000189116 [0,1,0,0,0,1|2,0,0]=4 1870 B14R1.529 CCC(CNc1ccc(cn1)Br)OC 27a_100000731041_100000686858 [0,1,0,0,0,1|2,0,0]=4 1871 B14R1.529 COC(CNc1ccc(cc1)Br)OC 2230a_100000210018_100000751394 [0,1,0,0,0,1|0,0,0]=2 1872 B14R1.529 COC(CNc1ccc(cc1)Br)OC 34a_100000210018_100000211822 [0,1,0,0,0,1|0,0,0]=2 1873 B14R1.529 COC(CNc1ccc(cc1)C)OC 34a_100000124888_100000211822 [0,1,0,0,0,1|0,0,0]=2 1874 B14R1.529 COC(CNc1ccc(cc1)Cl)OC 2230a_100000210052_100000751394 [0,1,0,0,0,1|0,0,0]=2 1875 B14R1.529 COC(CNc1ccc(cc1)Cl)OC 34a_100000210052_100000211822 [0,1,0,0,0,1|0,0,0]=2 1876 B14R1.529 COC(CNc1ccc(cc1)F)OC 34a_100000185862_100000211822 [0,1,0,0,0,1|0,0,0]=2 1877 B14R1.529 COC(CNc1ccc(cc1)I)OC 34a_100000185761_100000211822 [0,1,0,0,0,1|0,0,0]=2 1878 B14R1.529 COC(CNc1ccc(cc1)O)OC 34a_100000185829_100000211822 [0,1,0,0,0,1|0,0,0]=2 1879 B14R1.529 COC(CNc1ncc(cn1)O)OC 271570a_203496583355_200012047249 [0,1,0,0,0,1|2,0,0]=4 1880 B14R1.529 COC(COc1ccc(=O)[nH]c1)OC 34a_100000075641_100000211822 [0,1,0,0,0,1|1,0,0]=3 1881 B14R1.529 COC(COc1ccc(cc1)Br)OC 34a_100000185759_100000211822 [0,1,0,0,0,1|0,0,0]=2 1882 B14R1.529 COC(COc1ccc(cc1)Br)OC 7a_100000185759_100000751394 [0,1,0,0,0,1|0,0,0]=2 1883 B14R1.529 COC(COc1ccc(cc1)C)OC 34a_100000210336_100000211822 [0,1,0,0,0,1|0,0,0]=2 1884 B14R1.529 COC(COc1ccc(cc1)C)OC 7a_100000210336_100000751394 [0,1,0,0,0,1|0,0,0]=2 1885 B14R1.529 COC(COc1ccc(cc1)Cl)OC 34a_100000210216_100000211822 [0,1,0,0,0,1|0,0,0]=2 1886 B14R1.529 COC(COc1ccc(cc1)Cl)OC 7a_100000210216_100000751394 [0,1,0,0,0,1|0,0,0]=2 1887 B14R1.529 COC(COc1ccc(cc1)F)OC 34a_100000210339_100000211822 [0,1,0,0,0,1|0,0,0]=2 1888 B14R1.529 COC(COc1ccc(cc1)I)OC 34a_100000212066_100000211822 [0,1,0,0,0,1|0,0,0]=2 1889 B14R1.529 COC(COc1ccc(cc1)I)OC 7a_100000212066_100000751394 [0,1,0,0,0,1|0,0,0]=2 1890 B14R1.529 COC(COc1ccc(cc1)N)OC 34a_100000185829_100000211822 [0,1,0,0,0,1|0,0,0]=2 1891 B14R1.529 COC(COc1ccc(cn1)C)OC 34a_100000759353_100000211822 [0,1,0,0,0,1|1,0,0]=3 1892 B14R1.529 COC(COc1ccc(cn1)Cl)OC 34a_100011215309_100000211822 [0,1,0,0,0,1|1,0,0]=3 1893 B14R1.529 COC(COc1ccc(cn1)F)OC 34a_100000742473_100000211822 [0,1,0,0,0,1|1,0,0]=3 1894 B14R1.529 COC(COc1ccc(cn1)N)OC 34a_100000729260_100000211822 [0,1,0,0,0,1|1,0,0]=3 1895 B14R1.529 COC(COc1ccc(nc1)Br)OC 34a_100000685995_100000211822 [0,1,0,0,0,1|1,0,0]=3 1896 B14R1.529 COC(COc1ccc(nc1)Br)OC 7a_100000685995_100000751394 [0,1,0,0,0,1|1,0,0]=3 1897 B14R1.529 COC(COc1ccc(nc1)C)OC 34a_100000745506_100000211822 [0,1,0,0,0,1|1,0,0]=3 1898 B14R1.529 COC(COc1ccc(nc1)C)OC 7a_100000745506_100000751394 [0,1,0,0,0,1|1,0,0]=3 1899 B14R1.529 COC(COc1ccc(nc1)Cl)OC 34a_100000744096_100000211822 [0,1,0,0,0,1|1,0,0]=3 1900 B14R1.529 COC(COc1ccc(nc1)Cl)OC 7a_100000744096_100000751394 [0,1,0,0,0,1|1,0,0]=3 1901 B14R1.529 COC(COc1ccc(nc1)F)OC 34a_100000688820_100000211822 [0,1,0,0,0,1|1,0,0]=3 1902 B14R1.529 COC(COc1ccc(nc1)F)OC 7a_100000688820_100000751394 [0,1,0,0,0,1|1,0,0]=3 1903 B14R1.529 COC(COc1ccc(nc1)I)OC 34a_100000687607_100000211822 [0,1,0,0,0,1|1,0,0]=3 1904 B14R1.529 COC(COc1ccc(nc1)I)OC 7a_100000687607_100000751394 [0,1,0,0,0,1|1,0,0]=3 1905 B14R1.529 COC(COc1ccc(nc1)N)OC 34a_100015188713_100000211822 [0,1,0,0,0,1|1,0,0]=3 1906 B14R1.529 COC(COc1ccc(nc1)N)OC 7a_100015188713_100000751394 [0,1,0,0,0,1|1,0,0]=3 1907 B14R1.529 COC(COc1cnc(cn1)Br)OC 34a_100011934580_100000211822 [0,1,0,0,0,1|2,0,0]=4 1908 B14R1.529 COC(COc1cnc(cn1)Cl)OC 34a_100015839800_100000211822 [0,1,0,0,0,1|2,0,0]=4 1909 B14R1.529 COC(COc1cnc(nc1)Br)OC 34a_100000730009_100000211822 [0,1,0,0,0,1|2,0,0]=4 1910 B14R1.529 COC(COc1cnc(nc1)Br)OC 7a_100000730009_100000751394 [0,1,0,0,0,1|2,0,0]=4 1911 B14R1.529 COC(COc1cnc(nc1)C)OC 34a_100000062939_100000211822 [0,1,0,0,0,1|2,0,0]=4 1912 B14R1.529 COC(COc1cnc(nc1)C)OC 7a_100000062939_100000751394 [0,1,0,0,0,1|2,0,0]=4 1913 B14R1.529 COC(COc1cnc(nc1)Cl)OC 34a_100000092845_100000211822 [0,1,0,0,0,1|2,0,0]=4 1914 B14R1.529 COC(COc1cnc(nc1)Cl)OC 7a_100000092845_100000751394 [0,1,0,0,0,1|2,0,0]=4 1915 B14R1.529 COC(COc1cnc(nc1)F)OC 34a_200009874573_100000211822 [0,1,0,0,0,1|2,0,0]=4 1916 B14R1.529 COC(COc1cnc(nc1)F)OC 7a_200009874573_100000751394 [0,1,0,0,0,1|2,0,0]=4 1917 B14R1.529 COC(COc1cnc(nc1)N)OC 34a_100000087137_100000211822 [0,1,0,0,0,1|2,0,0]=4 1918 B14R1.529 COC(COc1cnc(nc1)N)OC 7a_100000087137_100000751394 [0,1,0,0,0,1|2,0,0]=4 1919 B14R1.529 COC(COc1ncc(cn1)F)OC 34a_100011934040_100000211822 [0,1,0,0,0,1|2,0,0]=4 1920 B14R1.529 COC(CSc1cc[n+](cc1)[O-])OC 62a_100000751394_100000039755 [0,1,0,0,0,1|1,0,0]=3 1921 B14R1.529 COC(CSc1ccc(=O)[nH]c1)OC 62a_100000212171_100000751394 [0,1,0,0,0,1|1,0,0]=3 1922 B14R1.529 COC(CSc1ccc(=O)[nH]c1)OC 62a_100000751394_100000212171 [0,1,0,0,0,1|1,0,0]=3 1923 B14R1.529 COC(CSc1ccc(=O)[nH]n1)OC 62a_100000751394_100009820020 [0,1,0,0,0,1|2,0,0]=4 1924 B14R1.529 COC(CSc1ccc(=O)[nH]n1)OC 62a_100009820020_100000751394 [0,1,0,0,0,1|2,0,0]=4 1925 B14R1.529 COC(CSc1ccc(cc1)Br)OC 62a_100000751394_100000752885 [0,1,0,0,0,1|0,0,0]=2 1926 B14R1.529 COC(CSc1ccc(cc1)Br)OC 62a_100000752885_100000751394 [0,1,0,0,0,1|0,0,0]=2 1927 B14R1.529 COC(CSc1ccc(cc1)C)OC 62a_100000186775_100000751394 [0,1,0,0,0,1|0,0,0]=2 1928 B14R1.529 COC(CSc1ccc(cc1)C)OC 62a_100000751394_100000186775 [0,1,0,0,0,1|0,0,0]=2 1929 B14R1.529 COC(CSc1ccc(cc1)Cl)OC 62a_100000751394_100000755918 [0,1,0,0,0,1|0,0,0]=2 1930 B14R1.529 COC(CSc1ccc(cc1)Cl)OC 62a_100000755918_100000751394 [0,1,0,0,0,1|0,0,0]=2 1931 B14R1.529 COC(CSc1ccc(cc1)F)OC 62a_100000211213_100000751394 [0,1,0,0,0,1|0,0,0]=2 1932 B14R1.529 COC(CSc1ccc(cc1)F)OC 62a_100000751394_100000211213 [0,1,0,0,0,1|0,0,0]=2 1933 B14R1.529 COC(CSc1ccc(cc1)N)OC 62a_100000185761_100000751394 [0,1,0,0,0,1|0,0,0]=2 1934 B14R1.529 COC(CSc1ccc(cc1)N)OC 62a_100000751394_100000185761 [0,1,0,0,0,1|0,0,0]=2 1935 B14R1.529 COC(CSc1ccc(cc1)O)OC 62a_100000751394_100000185759 [0,1,0,0,0,1|0,0,0]=2 1936 B14R1.529 COC(CSc1ccc(cn1)Br)OC 62a_100000686858_100000751394 [0,1,0,0,0,1|1,0,0]=3 1937 B14R1.529 COC(CSc1ccc(cn1)Br)OC 62a_100000751394_100000686858 [0,1,0,0,0,1|1,0,0]=3 1938 B14R1.529 COC(CSc1ccc(cn1)C)OC 62a_100000751394_100000754016 [0,1,0,0,0,1|1,0,0]=3 1939 B14R1.529 COC(CSc1ccc(cn1)C)OC 62a_100011192072_100000751394 [0,1,0,0,0,1|1,0,0]=3 1940 B14R1.529 COC(CSc1ccc(cn1)Cl)OC 62a_100000751394_100011356976 [0,1,0,0,0,1|1,0,0]=3 1941 B14R1.529 COC(CSc1ccc(cn1)Cl)OC 62a_100011356976_100000751394 [0,1,0,0,0,1|1,0,0]=3 1942 B14R1.529 COC(CSc1ccc(cn1)F)OC 62a_100000744514_100000751394 [0,1,0,0,0,1|1,0,0]=3 1943 B14R1.529 COC(CSc1ccc(cn1)F)OC 62a_100000751394_100000744514 [0,1,0,0,0,1|1,0,0]=3 1944 B14R1.529 COC(CSc1ccc(cn1)N)OC 62a_100000737798_100000751394 [0,1,0,0,0,1|1,0,0]=3 1945 B14R1.529 COC(CSc1ccc(cn1)N)OC 62a_100000751394_100000737798 [0,1,0,0,0,1|1,0,0]=3 1946 B14R1.529 COC(CSc1ccc(cn1)O)OC 62a_100000685995_100000751394 [0,1,0,0,0,1|1,0,0]=3 1947 B14R1.529 COC(CSc1ccc(cn1)O)OC 62a_100000751394_100000744096 [0,1,0,0,0,1|1,0,0]=3 1948 B14R1.529 COC(CSc1ccc(nc1)Br)OC 62a_100000751394_100009814638 [0,1,0,0,0,1|1,0,0]=3 1949 B14R1.529 COC(CSc1ccc(nc1)Br)OC 62a_100009814638_100000751394 [0,1,0,0,0,1|1,0,0]=3 1950 B14R1.529 COC(CSc1ccc(nc1)C)OC 62a_100000751394_100000751577 [0,1,0,0,0,1|1,0,0]=3 1951 B14R1.529 COC(CSc1ccc(nc1)C)OC 62a_100000751577_100000751394 [0,1,0,0,0,1|1,0,0]=3 1952 B14R1.529 COC(CSc1ccc(nc1)Cl)OC 62a_100000034144_100000751394 [0,1,0,0,0,1|1,0,0]=3 1953 B14R1.529 COC(CSc1ccc(nc1)Cl)OC 62a_100000751394_100000034144 [0,1,0,0,0,1|1,0,0]=3 1954 B14R1.529 COC(CSc1ccc(nc1)F)OC 62a_100000042367_100000751394 [0,1,0,0,0,1|1,0,0]=3 1955 B14R1.529 COC(CSc1ccc(nc1)F)OC 62a_100000751394_100000042367 [0,1,0,0,0,1|1,0,0]=3 1956 B14R1.529 COC(CSc1ccc(nc1)N)OC 62a_100000187370_100000751394 [0,1,0,0,0,1|1,0,0]=3 1957 B14R1.529 COC(CSc1ccc(nc1)N)OC 62a_100000751394_100000187370 [0,1,0,0,0,1|1,0,0]=3 1958 B14R1.529 COC(CSc1ccc(nn1)C)OC 62a_100000744512_100000751394 [0,1,0,0,0,1|2,0,0]=4 1959 B14R1.529 COC(CSc1ccc(nn1)C)OC 62a_100000751394_100000744512 [0,1,0,0,0,1|2,0,0]=4 1960 B14R1.529 COC(CSc1ccc(nn1)Cl)OC 62a_100000068654_100000751394 [0,1,0,0,0,1|2,0,0]=4 1961 B14R1.529 COC(CSc1ccc(nn1)Cl)OC 62a_100000751394_100000068654 [0,1,0,0,0,1|2,0,0]=4 1962 B14R1.529 COC(CSc1ccc(nn1)N)OC 62a_100000751394_100010219413 [0,1,0,0,0,1|2,0,0]=4 1963 B14R1.529 COC(CSc1ccc(nn1)N)OC 62a_100010219413_100000751394 [0,1,0,0,0,1|2,0,0]=4 1964 B14R1.529 COC(CSc1cnc(=O)[nH]c1)OC 62a_100000751394_102495366499 [0,1,0,0,0,1|2,0,0]=4 1965 B14R1.529 COC(CSc1cnc(=O)[nH]c1)OC 62a_102495366499_100000751394 [0,1,0,0,0,1|2,0,0]=4 1966 B14R1.529 COC(CSc1cnc(cn1)Br)OC 62a_100000751394_100010187541 [0,1,0,0,0,1|2,0,0]=4 1967 B14R1.529 COC(CSc1cnc(cn1)Br)OC 62a_100010187541_100000751394 [0,1,0,0,0,1|2,0,0]=4 1968 B14R1.529 COC(CSc1cnc(cn1)C)OC 62a_100000751394_100011999403 [0,1,0,0,0,1|2,0,0]=4 1969 B14R1.529 COC(CSc1cnc(cn1)C)OC 62a_100011999403_100000751394 [0,1,0,0,0,1|2,0,0]=4 1970 B14R1.529 COC(CSc1cnc(cn1)Cl)OC 62a_100000751394_100010214907 [0,1,0,0,0,1|2,0,0]=4 1971 B14R1.529 COC(CSc1cnc(cn1)Cl)OC 62a_100010214907_100000751394 [0,1,0,0,0,1|2,0,0]=4 1972 B14R1.529 COC(CSc1cnc(cn1)F)OC 62a_100000751394_100009856528 [0,1,0,0,0,1|2,0,0]=4 1973 B14R1.529 COC(CSc1cnc(cn1)F)OC 62a_100009856528_100000751394 [0,1,0,0,0,1|2,0,0]=4 1974 B14R1.529 COC(CSc1cnc(cn1)N)OC 62a_100000744751_100000751394 [0,1,0,0,0,1|2,0,0]=4 1975 B14R1.529 COC(CSc1cnc(cn1)N)OC 62a_100000751394_100000744751 [0,1,0,0,0,1|2,0,0]=4 1976 B14R1.529 COC(CSc1cnc(cn1)O)OC 62a_100000751394_100015839800 [0,1,0,0,0,1|2,0,0]=4 1977 B14R1.529 COC(CSc1cnc(cn1)O)OC 62a_100011934580_100000751394 [0,1,0,0,0,1|2,0,0]=4 1978 B14R1.529 COC(CSc1cnc(nc1)Br)OC 62a_100000751394_200012349914 [0,1,0,0,0,1|2,0,0]=4 1979 B14R1.529 COC(CSc1cnc(nc1)Br)OC 62a_200012349914_100000751394 [0,1,0,0,0,1|2,0,0]=4 1980 B14R1.529 COC(CSc1cnc(nc1)C)OC 62a_100000686985_100000751394 [0,1,0,0,0,1|2,0,0]=4 1981 B14R1.529 COC(CSc1cnc(nc1)C)OC 62a_100000751394_100000686985 [0,1,0,0,0,1|2,0,0]=4 1982 B14R1.529 COC(CSc1cnc(nc1)Cl)OC 62a_100000059775_100000751394 [0,1,0,0,0,1|2,0,0]=4 1983 B14R1.529 COC(CSc1cnc(nc1)Cl)OC 62a_100000751394_100000059775 [0,1,0,0,0,1|2,0,0]=4 1984 B14R1.529 COC(CSc1cnc(nc1)F)OC 62a_100000685262_100000751394 [0,1,0,0,0,1|2,0,0]=4 1985 B14R1.529 COC(CSc1cnc(nc1)F)OC 62a_100000751394_100000685262 [0,1,0,0,0,1|2,0,0]=4 1986 B14R1.529 COC(CSc1cnc(nc1)N)OC 62a_100000751394_100000766020 [0,1,0,0,0,1|2,0,0]=4 1987 B14R1.529 COC(CSc1cnc(nc1)N)OC 62a_100000766020_100000751394 [0,1,0,0,0,1|2,0,0]=4 1988 B14R1.529 COC(CSc1ncc(cn1)Br)OC 62a_100000690281_100000751394 [0,1,0,0,0,1|2,0,0]=4 1989 B14R1.529 COC(CSc1ncc(cn1)Br)OC 62a_100000751394_100000690281 [0,1,0,0,0,1|2,0,0]=4 1990 B14R1.529 COC(CSc1ncc(cn1)C)OC 62a_100000061069_100000751394 [0,1,0,0,0,1|2,0,0]=4 1991 B14R1.529 COC(CSc1ncc(cn1)C)OC 62a_100000751394_100000061069 [0,1,0,0,0,1|2,0,0]=4 1992 B14R1.529 COC(CSc1ncc(cn1)Cl)OC 62a_100000751394_100011356929 [0,1,0,0,0,1|2,0,0]=4 1993 B14R1.529 COC(CSc1ncc(cn1)Cl)OC 62a_100011356929_100000751394 [0,1,0,0,0,1|2,0,0]=4 1994 B14R1.529 COC(CSc1ncc(cn1)F)OC 62a_100000685220_100000751394 [0,1,0,0,0,1|2,0,0]=4 1995 B14R1.529 COC(CSc1ncc(cn1)F)OC 62a_100000751394_100000685220 [0,1,0,0,0,1|2,0,0]=4 1996 B14R1.529 COC(CSc1ncc(cn1)N)OC 62a_100000068403_100000751394 [0,1,0,0,0,1|2,0,0]=4 1997 B14R1.529 COC(CSc1ncc(cn1)N)OC 62a_100000751394_100000068403 [0,1,0,0,0,1|2,0,0]=4 1998 B14R1.529 COC(CSc1ncc(cn1)O)OC 62a_100000730009_100000751394 [0,1,0,0,0,1|2,0,0]=4 1999 B14R1.529 COC(CSc1ncc(cn1)O)OC 62a_100000751394_100000092845 [0,1,0,0,0,1|2,0,0]=4 2000 B14R1.532 CCC(CC)C(=O)Cc1ccccc1 1458a_100000211163_100015291786 [0,1,0,0,0,1|2,0,0]=4 2001 B14R1.532 CCC(CC)N(C)Cc1ccccc1 2230a_100000737045_100015291786 [0,1,0,0,0,1|2,0,0]=4 2002 B14R1.532 CCC(CC)N(C)Cc1ccccc1 2230a_100015183167_200000210301 [0,1,0,0,0,1|2,0,0]=4 2003 B14R1.532 CCC(CC)N(C)Cc1ccccc1 269982a_100000186898_100000210505 [0,1,0,0,0,1|2,0,0]=4 2004 B14R1.532 CCC(CC)N(C)Cc1ccccc1 269982a_100000737045_100000211182 [0,1,0,0,0,1|2,0,0]=4 2005 B14R1.532 CCC(CC)N(C)Cc1ccccc1 269982a_100015183167_200000210301 [0,1,0,0,0,1|2,0,0]=4 2006 B14R1.532 CCC(CC)N(C)Cc1ccccc1 270004a_100000186898_100000210860 [0,1,0,0,0,1|2,0,0]=4 2007 B14R1.532 CCC(CC)N(C)Cc1ccccc1 270004a_100000737045_100015611070 [0,1,0,0,0,1|2,0,0]=4 2008 B14R1.532 CCC(CC)N([13CH3])Cc1ccccc1 2230a_100015183167_200025704644 [0,1,0,0,0,1|2,0,0]=4 2009 B14R1.532 CCC(CC)N([13CH3])Cc1ccccc1 269982a_100015183167_200025704644 [0,1,0,0,0,1|2,0,0]=4 2010 B14R1.532 CCC(OC)C(=O)Cc1ccccc1 1458a_100000747056_100015291786 [0,1,0,0,0,1|1,0,0]=3 2011 B14R1.532 CCC(OC)C(=O)Cc1ccccn1 1458a_100000747056_100000721315 [0,1,0,0,0,1|2,0,0]=4 2012 B14R1.532 CCC(OC)C(=O)Cc1cccnc1 1458a_100000747056_100000733263 [0,1,0,0,0,1|2,0,0]=4 2013 B14R1.532 CCC(OC)C(=O)Cc1ccncc1 1458a_100000747056_100000705612 [0,1,0,0,0,1|2,0,0]=4 2014 B14R1.532 CCC(OC)C(=O)Nc1ccccc1 11a_100000106764_100000747056 [0,1,0,0,0,1|1,0,1]=4 2015 B14R1.532 CCC(OC)C(=O)Nc1ccccc1 1626a_100000106764_100000747056 [0,1,0,0,0,1|1,0,1]=4 2016 B14R1.532 CCC(OC)C(=O)Nc1ccccc1 22a_100000106764_100000747056 [0,1,0,0,0,1|1,0,1]=4 2017 B14R1.532 CCC(OC)C(=O)Nc1ccccc1 34a_100138415774_100000021906 [0,1,0,0,0,1|1,0,1]=4 2018 B14R1.532 CCC(OC)C(=O)Nc1ccccc1 527a_100000106764_100000747056 [0,1,0,0,0,1|1,0,1]=4 2019 B14R1.532 COC(OC)C(=O)Cc1ccccc1 1458a_100000046285_100015291786 [0,1,0,0,0,1|0,0,0]=2 2020 B14R1.532 COC(OC)C(=O)Cc1ccccn1 1458a_100000046285_100000721315 [0,1,0,0,0,1|1,0,0]=3 2021 B14R1.532 COC(OC)C(=O)Cc1cccnc1 1458a_100000046285_100000733263 [0,1,0,0,0,1|1,0,0]=3 2022 B14R1.532 COC(OC)C(=O)Cc1cccnn1 1458a_100000046285_100016990269 [0,1,0,0,0,1|2,0,0]=4 2023 B14R1.532 COC(OC)C(=O)Cc1ccncc1 1458a_100000046285_100000705612 [0,1,0,0,0,1|1,0,0]=3 2024 B14R1.532 COC(OC)C(=O)Cc1cnccn1 1458a_100000046285_100016995436 [0,1,0,0,0,1|2,0,0]=4 2025 B14R1.532 COC(OC)C(=O)Cc1cncnc1 1458a_100000046285_100015196519 [0,1,0,0,0,1|2,0,0]=4 2026 B14R1.532 COC(OC)C(=O)Cc1ncccn1 1458a_100000046285_100000703007 [0,1,0,0,0,1|2,0,0]=4 2027 B14R1.532 COC(OC)C(=O)Nc1ccccc1 11a_100000106764_100000046285 [0,1,0,0,0,1|0,0,1]=3 2028 B14R1.532 COC(OC)C(=O)Nc1ccccc1 22a_100000106764_100000046285 [0,1,0,0,0,1|0,0,1]=3 2029 B14R1.532 COC(OC)C(=O)Nc1ccccc1 527a_100000106764_100000046285 [0,1,0,0,0,1|0,0,1]=3 2030 B14R1.532 COC(OC)C(C)Nc1ccccc1 34a_100000106764_100011222894 [0,1,0,0,0,1|0,0,0]=2 2031 B14R1.532 COC(OC)C(C)Oc1ccccc1 34a_100000210340_100011222894 [0,1,0,0,0,1|0,0,0]=2 2032 B14R1.532 COC(OC)C(C)Oc1cccnc1 34a_100000210849_100011222894 [0,1,0,0,0,1|1,0,0]=3 2033 B14R1.532 COC(OC)C(C)Oc1ccncc1 34a_100000212176_100011222894 [0,1,0,0,0,1|1,0,0]=3 2034 B14R1.532 COC(OC)C(C)Oc1ccnnc1 34a_100015204005_100011222894 [0,1,0,0,0,1|2,0,0]=4 2035 B14R1.532 COC(OC)C(C)Sc1ccccc1 62a_100000719477_100011222894 [0,1,0,0,0,1|0,0,0]=2 2036 B14R1.532 COC(OC)C(C)Sc1ccccc1 62a_100011222894_100000041952 [0,1,0,0,0,1|0,0,0]=2 2037 B14R1.532 COC(OC)C(C)Sc1ccccn1 62a_100011216584_100011222894 [0,1,0,0,0,1|1,0,0]=3 2038 B14R1.532 COC(OC)C(C)Sc1ccccn1 62a_100011222894_100011216584 [0,1,0,0,0,1|1,0,0]=3 2039 B14R1.532 COC(OC)C(C)Sc1cccnc1 62a_100000210063_100011222894 [0,1,0,0,0,1|1,0,0]=3 2040 B14R1.532 COC(OC)C(C)Sc1cccnc1 62a_100011222894_100000210063 [0,1,0,0,0,1|1,0,0]=3 2041 B14R1.532 COC(OC)C(C)Sc1cccnn1 62a_100011222894_100016991348 [0,1,0,0,0,1|2,0,0]=4 2042 B14R1.532 COC(OC)C(C)Sc1cccnn1 62a_100016991348_100011222894 [0,1,0,0,0,1|2,0,0]=4 2043 B14R1.532 COC(OC)C(C)Sc1ccncc1 62a_100000728582_100011222894 [0,1,0,0,0,1|1,0,0]=3 2044 B14R1.532 COC(OC)C(C)Sc1ccncc1 62a_100011222894_100000728582 [0,1,0,0,0,1|1,0,0]=3 2045 B14R1.532 COC(OC)C(C)Sc1ccncn1 62a_100000703185_100011222894 [0,1,0,0,0,1|2,0,0]=4 2046 B14R1.532 COC(OC)C(C)Sc1ccncn1 62a_100011222894_100000703185 [0,1,0,0,0,1|2,0,0]=4 2047 B14R1.532 COC(OC)C(C)Sc1ccnnc1 62a_100000732662_100011222894 [0,1,0,0,0,1|2,0,0]=4 2048 B14R1.532 COC(OC)C(C)Sc1ccnnc1 62a_100011222894_100000732662 [0,1,0,0,0,1|2,0,0]=4 2049 B14R1.532 COC(OC)C(C)Sc1cnccn1 62a_100000211759_100011222894 [0,1,0,0,0,1|2,0,0]=4 2050 B14R1.532 COC(OC)C(C)Sc1cnccn1 62a_100011222894_100000211759 [0,1,0,0,0,1|2,0,0]=4 2051 B14R1.532 COC(OC)C(C)Sc1cncnc1 62a_100011206942_100011222894 [0,1,0,0,0,1|2,0,0]=4 2052 B14R1.532 COC(OC)C(C)Sc1cncnc1 62a_100011222894_100011206942 [0,1,0,0,0,1|2,0,0]=4 2053 B14R1.532 COC(OC)C(C)Sc1ncccn1 62a_100000211032_100011222894 [0,1,0,0,0,1|2,0,0]=4 2054 B14R1.532 COC(OC)C(C)Sc1ncccn1 62a_100011222894_100000211032 [0,1,0,0,0,1|2,0,0]=4 2055 B14R1.532 CO[C@H](CCl)[C@@H](N)Cc1ccccc1 34a_200025756354_200000210301 [0,1,0,0,0,1|2,0,0]=4 2056 B14R1.532 [13CH3]O[C@H](CCl)[C@@H](N)Cc1ccccc1 34a_200025756354_200025704644 [0,1,0,0,0,1|2,0,0]=4 2057 B14R1.547 CCC(CC)CNc1cccc(c1)Br 34a_100000210019_100011215472 [0,1,0,0,0,1|2,0,0]=4 2058 B14R1.547 CCC(CC)CNc1cccc(c1)C 2230a_100000188690_100011215472 [0,1,0,0,0,1|2,0,0]=4 2059 B14R1.547 CCC(CC)CNc1cccc(c1)C 34a_100000188690_100011215472 [0,1,0,0,0,1|2,0,0]=4 2060 B14R1.547 CCC(CC)CNc1cccc(c1)Cl 34a_100000185859_100011215472 [0,1,0,0,0,1|2,0,0]=4 2061 B14R1.547 CCC(CC)CNc1cccc(c1)F 34a_100000210047_100011215472 [0,1,0,0,0,1|2,0,0]=4 2062 B14R1.547 CCC(CC)CNc1cccc(c1)I 34a_100000211102_100011215472 [0,1,0,0,0,1|2,0,0]=4 2063 B14R1.547 CCC(CC)CNc1cccc(c1)O 34a_100000210217_100011215472 [0,1,0,0,0,1|2,0,0]=4 2064 B14R1.547 CCC(CC)COc1cccc(c1)Br 34a_100000210342_100011215472 [0,1,0,0,0,1|2,0,0]=4 2065 B14R1.547 CCC(CC)COc1cccc(c1)Br 7a_100000210342_100011215472 [0,1,0,0,0,1|2,0,0]=4 2066 B14R1.547 CCC(CC)COc1cccc(c1)C 34a_100000210337_100011215472 [0,1,0,0,0,1|2,0,0]=4 2067 B14R1.547 CCC(CC)COc1cccc(c1)C 7a_100000210337_100011215472 [0,1,0,0,0,1|2,0,0]=4 2068 B14R1.547 CCC(CC)COc1cccc(c1)Cl 34a_100000210295_100011215472 [0,1,0,0,0,1|2,0,0]=4 2069 B14R1.547 CCC(CC)COc1cccc(c1)Cl 7a_100000210295_100011215472 [0,1,0,0,0,1|2,0,0]=4 2070 B14R1.547 CCC(CC)COc1cccc(c1)F 34a_100000210426_100011215472 [0,1,0,0,0,1|2,0,0]=4 2071 B14R1.547 CCC(CC)COc1cccc(c1)F 7a_100000210426_100011215472 [0,1,0,0,0,1|2,0,0]=4 2072 B14R1.547 CCC(CC)COc1cccc(c1)I 34a_100000211634_100011215472 [0,1,0,0,0,1|2,0,0]=4 2073 B14R1.547 CCC(CC)COc1cccc(c1)I 7a_100000211634_100011215472 [0,1,0,0,0,1|2,0,0]=4 2074 B14R1.547 CCC(CC)COc1cccc(c1)N 34a_100000210217_100011215472 [0,1,0,0,0,1|2,0,0]=4 2075 B14R1.547 CCC(CC)CSc1cccc(c1)Br 62a_100000691529_100011215472 [0,1,0,0,0,1|2,0,0]=4 2076 B14R1.547 CCC(CC)CSc1cccc(c1)Br 62a_100011215472_100000691529 [0,1,0,0,0,1|2,0,0]=4 2077 B14R1.547 CCC(CC)CSc1cccc(c1)C 62a_100011215228_100011215472 [0,1,0,0,0,1|2,0,0]=4 2078 B14R1.547 CCC(CC)CSc1cccc(c1)C 62a_100011215472_100011215228 [0,1,0,0,0,1|2,0,0]=4 2079 B14R1.547 CCC(CC)CSc1cccc(c1)Cl 62a_100000699651_100011215472 [0,1,0,0,0,1|2,0,0]=4 2080 B14R1.547 CCC(CC)CSc1cccc(c1)Cl 62a_100011215472_100000699651 [0,1,0,0,0,1|2,0,0]=4 2081 B14R1.547 CCC(CC)CSc1cccc(c1)F 62a_100000685547_100011215472 [0,1,0,0,0,1|2,0,0]=4 2082 B14R1.547 CCC(CC)CSc1cccc(c1)F 62a_100011215472_100000685547 [0,1,0,0,0,1|2,0,0]=4 2083 B14R1.547 CCC(CC)CSc1cccc(c1)N 62a_100000210019_100011215472 [0,1,0,0,0,1|2,0,0]=4 2084 B14R1.547 CCC(CC)CSc1cccc(c1)N 62a_100011215472_100000210019 [0,1,0,0,0,1|2,0,0]=4 2085 B14R1.547 CCC(CC)CSc1cccc(c1)O 62a_100011215472_100000211634 [0,1,0,0,0,1|2,0,0]=4 2086 B14R1.547 CCC(CC)CSc1cccc(c1)[S] 62a_100011215472_114929384022 [0,1,0,0,0,1|2,0,0]=4 2087 B14R1.547 CCC(CC)CSc1cccc(c1)[S] 62a_114929384022_100011215472 [0,1,0,0,0,1|2,0,0]=4 2088 B14R1.547 CCC(CC)NCc1cccc(c1)Br 207a_100000199018_100000210085 [0,1,0,0,0,1|2,0,0]=4 2089 B14R1.547 CCC(CC)NCc1cccc(c1)Br 2230a_100000199018_100000698116 [0,1,0,0,0,1|2,0,0]=4 2090 B14R1.547 CCC(CC)NCc1cccc(c1)Br 270004a_100000174977_100000210860 [0,1,0,0,0,1|2,0,0]=4 2091 B14R1.547 CCC(CC)NCc1cccc(c1)Br 270004a_100000199018_100000210085 [0,1,0,0,0,1|2,0,0]=4 2092 B14R1.547 CCC(CC)NCc1cccc(c1)C 207a_100000199018_100000211157 [0,1,0,0,0,1|2,0,0]=4 2093 B14R1.547 CCC(CC)NCc1cccc(c1)C 2230a_100000199018_100000211840 [0,1,0,0,0,1|2,0,0]=4 2094 B14R1.547 CCC(CC)NCc1cccc(c1)C 270004a_100000185548_100000210860 [0,1,0,0,0,1|2,0,0]=4 2095 B14R1.547 CCC(CC)NCc1cccc(c1)C 270004a_100000199018_100000211157 [0,1,0,0,0,1|2,0,0]=4 2096 B14R1.547 CCC(CC)NCc1cccc(c1)Cl 207a_100000199018_100000210801 [0,1,0,0,0,1|2,0,0]=4 2097 B14R1.547 CCC(CC)NCc1cccc(c1)Cl 2230a_100000199018_100000181238 [0,1,0,0,0,1|2,0,0]=4 2098 B14R1.547 CCC(CC)NCc1cccc(c1)Cl 270004a_100000174878_100000210860 [0,1,0,0,0,1|2,0,0]=4 2099 B14R1.547 CCC(CC)NCc1cccc(c1)Cl 270004a_100000199018_100000210801 [0,1,0,0,0,1|2,0,0]=4 2100 B14R1.547 CCC(CC)NCc1cccc(c1)F 207a_100000199018_100000210812 [0,1,0,0,0,1|2,0,0]=4 2101 B14R1.547 CCC(CC)NCc1cccc(c1)F 2230a_100000199018_100000230114 [0,1,0,0,0,1|2,0,0]=4 2102 B14R1.547 CCC(CC)NCc1cccc(c1)F 270004a_100000174948_100000210860 [0,1,0,0,0,1|2,0,0]=4 2103 B14R1.547 CCC(CC)NCc1cccc(c1)F 270004a_100000199018_100000210812 [0,1,0,0,0,1|2,0,0]=4 2104 B14R1.547 CCC(CC)NCc1cccc(c1)I 207a_100000199018_100000014684 [0,1,0,0,0,1|2,0,0]=4 2105 B14R1.547 CCC(CC)NCc1cccc(c1)I 2230a_100000199018_100011218688 [0,1,0,0,0,1|2,0,0]=4 2106 B14R1.547 CCC(CC)NCc1cccc(c1)I 270004a_100000106179_100000210860 [0,1,0,0,0,1|2,0,0]=4 2107 B14R1.547 CCC(CC)NCc1cccc(c1)I 270004a_100000199018_100000014684 [0,1,0,0,0,1|2,0,0]=4 2108 B14R1.547 CCC(CC)NCc1cccc(c1)O 207a_100000199018_100000188321 [0,1,0,0,0,1|2,0,0]=4 2109 B14R1.547 CCC(CC)NCc1cccc(c1)O 2230a_100000199018_100011660834 [0,1,0,0,0,1|2,0,0]=4 2110 B14R1.547 CCC(CC)NCc1cccc(c1)O 270004a_100000199018_100000188321 [0,1,0,0,0,1|2,0,0]=4 2111 B14R1.547 CCC(CC)NCc1cccc(c1)O 270004a_100000743036_100000210860 [0,1,0,0,0,1|2,0,0]=4 2112 B14R1.547 CCC(CC)OCc1cccc(c1)Br 7a_100000687537_100000210505 [0,1,0,0,0,1|2,0,0]=4 2113 B14R1.547 CCC(CC)OCc1cccc(c1)Br 7a_100000688536_100000211773 [0,1,0,0,0,1|2,0,0]=4 2114 B14R1.547 CCC(CC)OCc1cccc(c1)C 7a_100000688536_100000211840 [0,1,0,0,0,1|2,0,0]=4 2115 B14R1.547 CCC(CC)OCc1cccc(c1)C 7a_100011217746_100000210505 [0,1,0,0,0,1|2,0,0]=4 2116 B14R1.547 CCC(CC)OCc1cccc(c1)Cl 7a_100000241301_100000210505 [0,1,0,0,0,1|2,0,0]=4 2117 B14R1.547 CCC(CC)OCc1cccc(c1)Cl 7a_100000688536_100000187163 [0,1,0,0,0,1|2,0,0]=4 2118 B14R1.547 CCC(CC)OCc1cccc(c1)F 7a_100000210976_100000210505 [0,1,0,0,0,1|2,0,0]=4 2119 B14R1.547 CCC(CC)OCc1cccc(c1)F 7a_100000688536_100000230114 [0,1,0,0,0,1|2,0,0]=4 2120 B14R1.547 CCC(CC)OCc1cccc(c1)I 7a_100000688536_100011218688 [0,1,0,0,0,1|2,0,0]=4 2121 B14R1.547 CCC(CC)OCc1cccc(c1)I 7a_100011215336_100000210505 [0,1,0,0,0,1|2,0,0]=4 2122 B14R1.547 CCC(CC)OCc1cccc(c1)O 7a_100000688536_100000084143 [0,1,0,0,0,1|2,0,0]=4 2123 B14R1.547 CCC(CC)SCc1cccc(c1)Br 62a_100000210505_100000211773 [0,1,0,0,0,1|2,0,0]=4 2124 B14R1.547 CCC(CC)SCc1cccc(c1)Br 62a_100000211773_100000210505 [0,1,0,0,0,1|2,0,0]=4 2125 B14R1.547 CCC(CC)SCc1cccc(c1)C 62a_100000210505_100000211840 [0,1,0,0,0,1|2,0,0]=4 2126 B14R1.547 CCC(CC)SCc1cccc(c1)C 62a_100000211840_100000210505 [0,1,0,0,0,1|2,0,0]=4 2127 B14R1.547 CCC(CC)SCc1cccc(c1)Cl 62a_100000187163_100000210505 [0,1,0,0,0,1|2,0,0]=4 2128 B14R1.547 CCC(CC)SCc1cccc(c1)Cl 62a_100000210505_100000187163 [0,1,0,0,0,1|2,0,0]=4 2129 B14R1.547 CCC(CC)SCc1cccc(c1)F 62a_100000210505_100000230114 [0,1,0,0,0,1|2,0,0]=4 2130 B14R1.547 CCC(CC)SCc1cccc(c1)F 62a_100000230114_100000210505 [0,1,0,0,0,1|2,0,0]=4 2131 B14R1.547 CCC(CC)SCc1cccc(c1)I 62a_100000210505_100011218688 [0,1,0,0,0,1|2,0,0]=4 2132 B14R1.547 CCC(CC)SCc1cccc(c1)I 62a_100011218688_100000210505 [0,1,0,0,0,1|2,0,0]=4 2133 B14R1.547 CCC(CC)SCc1cccc(c1)O 62a_100000210505_100011660834 [0,1,0,0,0,1|2,0,0]=4 2134 B14R1.547 CCC(CC)SCc1cccc(c1)O 62a_100011660834_100000210505 [0,1,0,0,0,1|2,0,0]=4 2135 B14R1.547 CCC(CNc1cc(ccn1)F)OC 27a_100000731041_100000764206 [0,1,0,0,0,1|2,0,0]=4 2136 B14R1.547 CCC(CNc1cc[nH]c(=O)c1)OC 27a_100000731041_100000061649 [0,1,0,0,0,1|2,0,0]=4 2137 B14R1.547 CCC(CNc1cccc(n1)F)OC 27a_100000731041_100009815982 [0,1,0,0,0,1|2,0,0]=4 2138 B14R1.547 CCC(CNc1ccnc(c1)C)OC 27a_100000731041_100000758586 [0,1,0,0,0,1|2,0,0]=4 2139 B14R1.547 CCC(CNc1ccnc(c1)F)OC 27a_100000731041_100009816116 [0,1,0,0,0,1|2,0,0]=4 2140 B14R1.547 COC(CNc1cc(ncn1)O)OC 271570a_203496583355_200012362686 [0,1,0,0,0,1|2,0,0]=4 2141 B14R1.547 COC(CNc1cccc(c1)Br)OC 34a_100000210019_100000211822 [0,1,0,0,0,1|0,0,0]=2 2142 B14R1.547 COC(CNc1cccc(c1)C)OC 2230a_100000188690_100000751394 [0,1,0,0,0,1|0,0,0]=2 2143 B14R1.547 COC(CNc1cccc(c1)C)OC 34a_100000188690_100000211822 [0,1,0,0,0,1|0,0,0]=2 2144 B14R1.547 COC(CNc1cccc(c1)Cl)OC 34a_100000185859_100000211822 [0,1,0,0,0,1|0,0,0]=2 2145 B14R1.547 COC(CNc1cccc(c1)F)OC 34a_100000210047_100000211822 [0,1,0,0,0,1|0,0,0]=2 2146 B14R1.547 COC(CNc1cccc(c1)I)OC 34a_100000211102_100000211822 [0,1,0,0,0,1|0,0,0]=2 2147 B14R1.547 COC(CNc1cccc(c1)O)OC 34a_100000210217_100000211822 [0,1,0,0,0,1|0,0,0]=2 2148 B14R1.547 COC(COc1cc(cnn1)C)OC 34a_100000766097_100000211822 [0,1,0,0,0,1|2,0,0]=4 2149 B14R1.547 COC(COc1cc[nH]c(=O)c1)OC 34a_100000032262_100000211822 [0,1,0,0,0,1|1,0,0]=3 2150 B14R1.547 COC(COc1ccc[n+](c1)[O-])OC 34a_100000039713_100000211822 [0,1,0,0,0,1|1,0,0]=3 2151 B14R1.547 COC(COc1ccc[n+](c1)[O-])OC 7a_100000039713_100000751394 [0,1,0,0,0,1|1,0,0]=3 2152 B14R1.547 COC(COc1cccc(=O)[nH]1)OC 34a_100000033347_100000211822 [0,1,0,0,0,1|1,0,0]=3 2153 B14R1.547 COC(COc1cccc(c1)Br)OC 34a_100000210342_100000211822 [0,1,0,0,0,1|0,0,0]=2 2154 B14R1.547 COC(COc1cccc(c1)Br)OC 7a_100000210342_100000751394 [0,1,0,0,0,1|0,0,0]=2 2155 B14R1.547 COC(COc1cccc(c1)C)OC 34a_100000210337_100000211822 [0,1,0,0,0,1|0,0,0]=2 2156 B14R1.547 COC(COc1cccc(c1)C)OC 7a_100000210337_100000751394 [0,1,0,0,0,1|0,0,0]=2 2157 B14R1.547 COC(COc1cccc(c1)Cl)OC 34a_100000210295_100000211822 [0,1,0,0,0,1|0,0,0]=2 2158 B14R1.547 COC(COc1cccc(c1)Cl)OC 7a_100000210295_100000751394 [0,1,0,0,0,1|0,0,0]=2 2159 B14R1.547 COC(COc1cccc(c1)F)OC 34a_100000210426_100000211822 [0,1,0,0,0,1|0,0,0]=2 2160 B14R1.547 COC(COc1cccc(c1)F)OC 7a_100000210426_100000751394 [0,1,0,0,0,1|0,0,0]=2 2161 B14R1.547 COC(COc1cccc(c1)I)OC 34a_100000211634_100000211822 [0,1,0,0,0,1|0,0,0]=2 2162 B14R1.547 COC(COc1cccc(c1)I)OC 7a_100000211634_100000751394 [0,1,0,0,0,1|0,0,0]=2 2163 B14R1.547 COC(COc1cccc(c1)N)OC 34a_100000210217_100000211822 [0,1,0,0,0,1|0,0,0]=2 2164 B14R1.547 COC(COc1cccc(n1)F)OC 34a_100011432558_100000211822 [0,1,0,0,0,1|1,0,0]=3 2165 B14R1.547 COC(COc1ccnc(c1)C)OC 34a_100000688365_100000211822 [0,1,0,0,0,1|1,0,0]=3 2166 B14R1.547 COC(COc1ccnc(c1)Cl)OC 34a_100000762945_100000211822 [0,1,0,0,0,1|1,0,0]=3 2167 B14R1.547 COC(COc1ccnc(c1)F)OC 34a_100000732698_100000211822 [0,1,0,0,0,1|1,0,0]=3 2168 B14R1.547 COC(COc1ccnc(c1)N)OC 34a_100011834064_100000211822 [0,1,0,0,0,1|1,0,0]=3 2169 B14R1.547 COC(COc1cncc(c1)Br)OC 34a_100000754920_100000211822 [0,1,0,0,0,1|1,0,0]=3 2170 B14R1.547 COC(COc1cncc(c1)Br)OC 7a_100000754920_100000751394 [0,1,0,0,0,1|1,0,0]=3 2171 B14R1.547 COC(COc1cncc(c1)C)OC 34a_100011830280_100000211822 [0,1,0,0,0,1|1,0,0]=3 2172 B14R1.547 COC(COc1cncc(c1)C)OC 7a_100011830280_100000751394 [0,1,0,0,0,1|1,0,0]=3 2173 B14R1.547 COC(COc1cncc(c1)Cl)OC 7a_100000032511_100000751394 [0,1,0,0,0,1|1,0,0]=3 2174 B14R1.547 COC(COc1cncc(c1)F)OC 34a_100011830296_100000211822 [0,1,0,0,0,1|1,0,0]=3 2175 B14R1.547 COC(COc1cncc(c1)F)OC 7a_100011830296_100000751394 [0,1,0,0,0,1|1,0,0]=3 2176 B14R1.547 COC(COc1cncc(c1)N)OC 34a_100011997051_100000211822 [0,1,0,0,0,1|1,0,0]=3 2177 B14R1.547 COC(COc1cnnc(c1)Cl)OC 34a_200010734679_100000211822 [0,1,0,0,0,1|2,0,0]=4 2178 B14R1.547 COC(COc1cnnc(c1)N)OC 34a_200015193112_100000211822 [0,1,0,0,0,1|2,0,0]=4 2179 B14R1.547 COC(CSc1c[n+](ccn1)[O-])OC 62a_100000751394_100009880115 [0,1,0,0,0,1|2,0,0]=4 2180 B14R1.547 COC(CSc1cc(=O)[nH]cn1)OC 62a_100012002517_100000751394 [0,1,0,0,0,1|2,0,0]=4 2181 B14R1.547 COC(CSc1cc(=O)cc[nH]1)OC 62a_100009817434_100000751394 [0,1,0,0,0,1|1,0,0]=3 2182 B14R1.547 COC(CSc1cc(ccn1)C)OC 62a_100000750283_100000751394 [0,1,0,0,0,1|1,0,0]=3 2183 B14R1.547 COC(CSc1cc(ccn1)C)OC 62a_100000751394_100000750283 [0,1,0,0,0,1|1,0,0]=3 2184 B14R1.547 COC(CSc1cc(ccn1)Cl)OC 62a_100000751394_100010167805 [0,1,0,0,0,1|1,0,0]=3 2185 B14R1.547 COC(CSc1cc(ccn1)Cl)OC 62a_100010167805_100000751394 [0,1,0,0,0,1|1,0,0]=3 2186 B14R1.547 COC(CSc1cc(ccn1)F)OC 62a_100000751394_100000764206 [0,1,0,0,0,1|1,0,0]=3 2187 B14R1.547 COC(CSc1cc(ccn1)F)OC 62a_100000764206_100000751394 [0,1,0,0,0,1|1,0,0]=3 2188 B14R1.547 COC(CSc1cc(ccn1)N)OC 62a_100000751394_100009814236 [0,1,0,0,0,1|1,0,0]=3 2189 B14R1.547 COC(CSc1cc(ccn1)N)OC 62a_100009814236_100000751394 [0,1,0,0,0,1|1,0,0]=3 2190 B14R1.547 COC(CSc1cc(ccn1)O)OC 62a_100000751394_100000762945 [0,1,0,0,0,1|1,0,0]=3 2191 B14R1.547 COC(CSc1cc(cnn1)C)OC 62a_100000070100_100000751394 [0,1,0,0,0,1|2,0,0]=4 2192 B14R1.547 COC(CSc1cc(cnn1)C)OC 62a_100000751394_100000070100 [0,1,0,0,0,1|2,0,0]=4 2193 B14R1.547 COC(CSc1cc(cnn1)N)OC 62a_100000751394_100011996757 [0,1,0,0,0,1|2,0,0]=4 2194 B14R1.547 COC(CSc1cc(cnn1)N)OC 62a_100011996757_100000751394 [0,1,0,0,0,1|2,0,0]=4 2195 B14R1.547 COC(CSc1cc(cnn1)O)OC 62a_100000751394_200010734679 [0,1,0,0,0,1|2,0,0]=4 2196 B14R1.547 COC(CSc1cc(ncn1)C)OC 62a_100000744208_100000751394 [0,1,0,0,0,1|2,0,0]=4 2197 B14R1.547 COC(CSc1cc(ncn1)C)OC 62a_100000751394_100000744208 [0,1,0,0,0,1|2,0,0]=4 2198 B14R1.547 COC(CSc1cc(ncn1)Cl)OC 62a_100000751394_100010161198 [0,1,0,0,0,1|2,0,0]=4 2199 B14R1.547 COC(CSc1cc(ncn1)Cl)OC 62a_100010161198_100000751394 [0,1,0,0,0,1|2,0,0]=4 2200 B14R1.547 COC(CSc1cc(ncn1)F)OC 62a_100000751394_200009880791 [0,1,0,0,0,1|2,0,0]=4 2201 B14R1.547 COC(CSc1cc(ncn1)F)OC 62a_200009880791_100000751394 [0,1,0,0,0,1|2,0,0]=4 2202 B14R1.547 COC(CSc1cc(ncn1)N)OC 62a_100000701291_100000751394 [0,1,0,0,0,1|2,0,0]=4 2203 B14R1.547 COC(CSc1cc(ncn1)N)OC 62a_100000751394_100000701291 [0,1,0,0,0,1|2,0,0]=4 2204 B14R1.547 COC(CSc1cc(ncn1)O)OC 62a_100000751394_100000765262 [0,1,0,0,0,1|2,0,0]=4 2205 B14R1.547 COC(CSc1cc[nH]c(=O)c1)OC 62a_100000751394_100009816521 [0,1,0,0,0,1|1,0,0]=3 2206 B14R1.547 COC(CSc1cc[nH]c(=O)c1)OC 62a_100009816521_100000751394 [0,1,0,0,0,1|1,0,0]=3 2207 B14R1.547 COC(CSc1cc[nH]c(=O)n1)OC 62a_100000751394_200000134032 [0,1,0,0,0,1|2,0,0]=4 2208 B14R1.547 COC(CSc1ccc[n+](c1)C)OC 62a_100000751394_100009996589 [0,1,0,0,0,1|1,0,0]=3 2209 B14R1.547 COC(CSc1ccc[n+](c1)C)OC 62a_100009996589_100000751394 [0,1,0,0,0,1|1,0,0]=3 2210 B14R1.547 COC(CSc1ccc[n+](c1)[O-])OC 62a_100000751394_100009815978 [0,1,0,0,0,1|1,0,0]=3 2211 B14R1.547 COC(CSc1cccc(=O)[nH]1)OC 62a_100000751394_100000752884 [0,1,0,0,0,1|1,0,0]=3 2212 B14R1.547 COC(CSc1cccc(c1)Br)OC 62a_100000691529_100000751394 [0,1,0,0,0,1|0,0,0]=2 2213 B14R1.547 COC(CSc1cccc(c1)Br)OC 62a_100000751394_100000691529 [0,1,0,0,0,1|0,0,0]=2 2214 B14R1.547 COC(CSc1cccc(c1)C)OC 62a_100000751394_100011215228 [0,1,0,0,0,1|0,0,0]=2 2215 B14R1.547 COC(CSc1cccc(c1)C)OC 62a_100011215228_100000751394 [0,1,0,0,0,1|0,0,0]=2 2216 B14R1.547 COC(CSc1cccc(c1)Cl)OC 62a_100000699651_100000751394 [0,1,0,0,0,1|0,0,0]=2 2217 B14R1.547 COC(CSc1cccc(c1)Cl)OC 62a_100000751394_100000699651 [0,1,0,0,0,1|0,0,0]=2 2218 B14R1.547 COC(CSc1cccc(c1)F)OC 62a_100000685547_100000751394 [0,1,0,0,0,1|0,0,0]=2 2219 B14R1.547 COC(CSc1cccc(c1)F)OC 62a_100000751394_100000685547 [0,1,0,0,0,1|0,0,0]=2 2220 B14R1.547 COC(CSc1cccc(c1)N)OC 62a_100000210019_100000751394 [0,1,0,0,0,1|0,0,0]=2 2221 B14R1.547 COC(CSc1cccc(c1)N)OC 62a_100000751394_100000210019 [0,1,0,0,0,1|0,0,0]=2 2222 B14R1.547 COC(CSc1cccc(c1)O)OC 62a_100000751394_100000211634 [0,1,0,0,0,1|0,0,0]=2 2223 B14R1.547 COC(CSc1cccc(c1)[S])OC 62a_100000751394_114929384022 [0,1,0,0,0,1|0,0,0]=2 2224 B14R1.547 COC(CSc1cccc(c1)[S])OC 62a_114929384022_100000751394 [0,1,0,0,0,1|0,0,0]=2 2225 B14R1.547 COC(CSc1cccc(n1)Br)OC 62a_100000684672_100000751394 [0,1,0,0,0,1|1,0,0]=3 2226 B14R1.547 COC(CSc1cccc(n1)Br)OC 62a_100000751394_100000684672 [0,1,0,0,0,1|1,0,0]=3 2227 B14R1.547 COC(CSc1cccc(n1)C)OC 62a_100000742759_100000751394 [0,1,0,0,0,1|1,0,0]=3 2228 B14R1.547 COC(CSc1cccc(n1)C)OC 62a_100000751394_100000742759 [0,1,0,0,0,1|1,0,0]=3 2229 B14R1.547 COC(CSc1cccc(n1)Cl)OC 62a_100000051397_100000751394 [0,1,0,0,0,1|1,0,0]=3 2230 B14R1.547 COC(CSc1cccc(n1)Cl)OC 62a_100000751394_100000051397 [0,1,0,0,0,1|1,0,0]=3 2231 B14R1.547 COC(CSc1cccc(n1)F)OC 62a_100000751394_100009815982 [0,1,0,0,0,1|1,0,0]=3 2232 B14R1.547 COC(CSc1cccc(n1)F)OC 62a_100009815982_100000751394 [0,1,0,0,0,1|1,0,0]=3 2233 B14R1.547 COC(CSc1cccc(n1)N)OC 62a_100000740741_100000751394 [0,1,0,0,0,1|1,0,0]=3 2234 B14R1.547 COC(CSc1cccc(n1)N)OC 62a_100000751394_100000740741 [0,1,0,0,0,1|1,0,0]=3 2235 B14R1.547 COC(CSc1ccnc(c1)Br)OC 62a_100000751394_100009814637 [0,1,0,0,0,1|1,0,0]=3 2236 B14R1.547 COC(CSc1ccnc(c1)Br)OC 62a_100009814637_100000751394 [0,1,0,0,0,1|1,0,0]=3 2237 B14R1.547 COC(CSc1ccnc(c1)C)OC 62a_100000751394_100000758586 [0,1,0,0,0,1|1,0,0]=3 2238 B14R1.547 COC(CSc1ccnc(c1)C)OC 62a_100000758586_100000751394 [0,1,0,0,0,1|1,0,0]=3 2239 B14R1.547 COC(CSc1ccnc(c1)Cl)OC 62a_100000035001_100000751394 [0,1,0,0,0,1|1,0,0]=3 2240 B14R1.547 COC(CSc1ccnc(c1)Cl)OC 62a_100000751394_100000035001 [0,1,0,0,0,1|1,0,0]=3 2241 B14R1.547 COC(CSc1ccnc(c1)F)OC 62a_100000751394_100009816116 [0,1,0,0,0,1|1,0,0]=3 2242 B14R1.547 COC(CSc1ccnc(c1)F)OC 62a_100009816116_100000751394 [0,1,0,0,0,1|1,0,0]=3 2243 B14R1.547 COC(CSc1ccnc(c1)N)OC 62a_100000049665_100000751394 [0,1,0,0,0,1|1,0,0]=3 2244 B14R1.547 COC(CSc1ccnc(c1)N)OC 62a_100000751394_100000049665 [0,1,0,0,0,1|1,0,0]=3 2245 B14R1.547 COC(CSc1ccnc(n1)C)OC 62a_100000749937_100000751394 [0,1,0,0,0,1|2,0,0]=4 2246 B14R1.547 COC(CSc1ccnc(n1)C)OC 62a_100000751394_100000749937 [0,1,0,0,0,1|2,0,0]=4 2247 B14R1.547 COC(CSc1ccnc(n1)Cl)OC 62a_100000751394_100010154678 [0,1,0,0,0,1|2,0,0]=4 2248 B14R1.547 COC(CSc1ccnc(n1)Cl)OC 62a_100010154678_100000751394 [0,1,0,0,0,1|2,0,0]=4 2249 B14R1.547 COC(CSc1ccnc(n1)N)OC 62a_100000055538_100000751394 [0,1,0,0,0,1|2,0,0]=4 2250 B14R1.547 COC(CSc1ccnc(n1)N)OC 62a_100000751394_100000055538 [0,1,0,0,0,1|2,0,0]=4 2251 B14R1.547 COC(CSc1cn[nH]c(=O)c1)OC 62a_100000751394_100010197405 [0,1,0,0,0,1|2,0,0]=4 2252 B14R1.547 COC(CSc1cncc(c1)Br)OC 62a_100000728054_100000751394 [0,1,0,0,0,1|1,0,0]=3 2253 B14R1.547 COC(CSc1cncc(c1)Br)OC 62a_100000751394_100000728054 [0,1,0,0,0,1|1,0,0]=3 2254 B14R1.547 COC(CSc1cncc(c1)C)OC 62a_100000751394_100000760492 [0,1,0,0,0,1|1,0,0]=3 2255 B14R1.547 COC(CSc1cncc(c1)C)OC 62a_100000760492_100000751394 [0,1,0,0,0,1|1,0,0]=3 2256 B14R1.547 COC(CSc1cncc(c1)Cl)OC 62a_100000049639_100000751394 [0,1,0,0,0,1|1,0,0]=3 2257 B14R1.547 COC(CSc1cncc(c1)Cl)OC 62a_100000751394_100000049639 [0,1,0,0,0,1|1,0,0]=3 2258 B14R1.547 COC(CSc1cncc(c1)F)OC 62a_100000744099_100000751394 [0,1,0,0,0,1|1,0,0]=3 2259 B14R1.547 COC(CSc1cncc(c1)F)OC 62a_100000751394_100000744099 [0,1,0,0,0,1|1,0,0]=3 2260 B14R1.547 COC(CSc1cncc(c1)N)OC 62a_100000687067_100000751394 [0,1,0,0,0,1|1,0,0]=3 2261 B14R1.547 COC(CSc1cncc(c1)N)OC 62a_100000751394_100000687067 [0,1,0,0,0,1|1,0,0]=3 2262 B14R1.547 COC(CSc1cncc(c1)O)OC 62a_100000751394_100000754920 [0,1,0,0,0,1|1,0,0]=3 2263 B14R1.547 COC(CSc1cncc(c1)O)OC 62a_100000754920_100000751394 [0,1,0,0,0,1|1,0,0]=3 2264 B14R1.547 COC(CSc1cncc(n1)C)OC 62a_100000751394_100000754123 [0,1,0,0,0,1|2,0,0]=4 2265 B14R1.547 COC(CSc1cncc(n1)C)OC 62a_100000754123_100000751394 [0,1,0,0,0,1|2,0,0]=4 2266 B14R1.547 COC(CSc1cncc(n1)Cl)OC 62a_100000751394_100010892449 [0,1,0,0,0,1|2,0,0]=4 2267 B14R1.547 COC(CSc1cncc(n1)Cl)OC 62a_100010892449_100000751394 [0,1,0,0,0,1|2,0,0]=4 2268 B14R1.547 COC(CSc1cncc(n1)F)OC 62a_100000751394_200009863489 [0,1,0,0,0,1|2,0,0]=4 2269 B14R1.547 COC(CSc1cncc(n1)F)OC 62a_200009863489_100000751394 [0,1,0,0,0,1|2,0,0]=4 2270 B14R1.547 COC(CSc1cncc(n1)N)OC 62a_100000747728_100000751394 [0,1,0,0,0,1|2,0,0]=4 2271 B14R1.547 COC(CSc1cncc(n1)N)OC 62a_100000751394_100000747728 [0,1,0,0,0,1|2,0,0]=4 2272 B14R1.547 COC(CSc1cncc(n1)O)OC 62a_100000751394_100011269956 [0,1,0,0,0,1|2,0,0]=4 2273 B14R1.547 COC(CSc1cnnc(c1)N)OC 62a_100000130277_100000751394 [0,1,0,0,0,1|2,0,0]=4 2274 B14R1.547 COC(CSc1cnnc(c1)N)OC 62a_100000751394_100000130277 [0,1,0,0,0,1|2,0,0]=4 2275 B14R1.547 COC(CSc1nccc(n1)C)OC 62a_100000751394_100011243806 [0,1,0,0,0,1|2,0,0]=4 2276 B14R1.547 COC(CSc1nccc(n1)C)OC 62a_100011243806_100000751394 [0,1,0,0,0,1|2,0,0]=4 2277 B14R1.547 COC(CSc1nccc(n1)N)OC 62a_100000751394_100000757536 [0,1,0,0,0,1|2,0,0]=4 2278 B14R1.547 COC(CSc1nccc(n1)N)OC 62a_100000757536_100000751394 [0,1,0,0,0,1|2,0,0]=4 2279 B14R1.547 COC(CSc1nccc(n1)O)OC 62a_100000751394_100011649813 [0,1,0,0,0,1|2,0,0]=4 2280 B14R1.979 CC#CC(CC)OCc1ccccc1 34a_200011219922_100015291786 [0,1,0,0,0,1|2,0,0]=4 2281 B14R1.979 CC#CC(CC)OCc1ccccc1 7a_200011219922_100000211182 [0,1,0,0,0,1|2,0,0]=4 2282 B14R1.979 CCC(C#Cc1ccccc1)OCF 34a_200000065154_100015361967 [0,1,0,0,0,1|1,0,1]=4 2283 B14R1.979 CCC(C#Cc1ccccc1)OCF 7a_200000065154_100015361967 [0,1,0,0,0,1|1,0,1]=4 2284 B14R1.979 CCC(COC)NCc1ccccc1 207a_100000757820_100015611070 [0,1,0,0,0,1|1,0,0]=3 2285 B14R1.979 CCC(COC)NCc1ccccc1 2230a_100000757820_100015291786 [0,1,0,0,0,1|1,0,0]=3 2286 B14R1.979 CCC(COC)NCc1ccccc1 270004a_100000757820_100015611070 [0,1,0,0,0,1|1,0,0]=3 2287 B14R1.979 CCC(COC)NCc1ccccc1 270004a_100015324214_100000757811 [0,1,0,0,0,1|1,0,0]=3 2288 B14R1.979 CCC(COC)NCc1ccccc1 34a_100000180821_200000210301 [0,1,0,0,0,1|1,0,0]=3 2289 B14R1.979 CCC(COC)NCc1ccccn1 207a_100000757820_100000209966 [0,1,0,0,0,1|2,0,0]=4 2290 B14R1.979 CCC(COC)NCc1ccccn1 2230a_100000757820_100000721315 [0,1,0,0,0,1|2,0,0]=4 2291 B14R1.979 CCC(COC)NCc1ccccn1 270004a_100000210449_100000757811 [0,1,0,0,0,1|2,0,0]=4 2292 B14R1.979 CCC(COC)NCc1ccccn1 270004a_100000757820_100000209966 [0,1,0,0,0,1|2,0,0]=4 2293 B14R1.979 CCC(COC)NCc1cccnc1 207a_100000757820_100000209961 [0,1,0,0,0,1|2,0,0]=4 2294 B14R1.979 CCC(COC)NCc1cccnc1 2230a_100000757820_100000741622 [0,1,0,0,0,1|2,0,0]=4 2295 B14R1.979 CCC(COC)NCc1cccnc1 270004a_100000210453_100000757811 [0,1,0,0,0,1|2,0,0]=4 2296 B14R1.979 CCC(COC)NCc1cccnc1 270004a_100000757820_100000209961 [0,1,0,0,0,1|2,0,0]=4 2297 B14R1.979 CCC(COC)NCc1ccncc1 207a_100000757820_100000186114 [0,1,0,0,0,1|2,0,0]=4 2298 B14R1.979 CCC(COC)NCc1ccncc1 2230a_100000757820_100015193705 [0,1,0,0,0,1|2,0,0]=4 2299 B14R1.979 CCC(COC)OCc1ccccc1 7a_200011214946_100000211182 [0,1,0,0,0,1|1,0,0]=3 2300 B14R1.979 CCC(COC)OCc1ccccn1 7a_200011214946_100000721315 [0,1,0,0,0,1|2,0,0]=4 2301 B14R1.979 CCC(COC)OCc1cccnc1 7a_200011214946_100000741622 [0,1,0,0,0,1|2,0,0]=4 2302 B14R1.979 CCC(COC)OCc1ccncc1 7a_200011214946_100015193705 [0,1,0,0,0,1|2,0,0]=4 2303 B14R1.979 CCC(CO[13CH3])NCc1ccccc1 34a_100000180821_200025704644 [0,1,0,0,0,1|1,0,0]=3 2304 B14R1.979 CCCC(C#Cc1ccccc1)OC 34a_200000065213_200000210301 [0,1,0,0,0,1|1,0,1]=4 2305 B14R1.979 CCCC(C#Cc1ccccc1)OC 7a_200000065213_200000210301 [0,1,0,0,0,1|1,0,1]=4 2306 B14R1.979 CCCC(C#Cc1ccccc1)O[13CH3] 34a_200000065213_200025704644 [0,1,0,0,0,1|1,0,1]=4 2307 B14R1.979 CCCC(C#Cc1ccccc1)O[13CH3] 7a_200000065213_200025704644 [0,1,0,0,0,1|1,0,1]=4 2308 B14R1.979 CCCC(CC)NCc1ccccc1 207a_100000747048_100015611070 [0,1,0,0,0,1|2,0,0]=4 2309 B14R1.979 CCCC(CC)NCc1ccccc1 2230a_100000747048_100015291786 [0,1,0,0,0,1|2,0,0]=4 2310 B14R1.979 CCCC(CC)NCc1ccccc1 270004a_100000747048_100015611070 [0,1,0,0,0,1|2,0,0]=4 2311 B14R1.979 CCCC(CC)NCc1ccccc1 270004a_100015324214_100000687865 [0,1,0,0,0,1|2,0,0]=4 2312 B14R1.979 CCCC(CC)OCc1ccccc1 34a_100000687864_100015291786 [0,1,0,0,0,1|2,0,0]=4 2313 B14R1.979 CCCC(CC)OCc1ccccc1 7a_100000210790_100011219200 [0,1,0,0,0,1|2,0,0]=4 2314 B14R1.979 CCCC(CC)OCc1ccccc1 7a_100000687864_100000211182 [0,1,0,0,0,1|2,0,0]=4 2315 B14R1.979 CCCC(CC)SCc1ccccc1 62a_100000211182_100011219200 [0,1,0,0,0,1|2,0,0]=4 2316 B14R1.979 CCCC(CC)SCc1ccccc1 62a_100011219200_100015291786 [0,1,0,0,0,1|2,0,0]=4 2317 B14R1.979 CCCC(CCc1ccccc1)NC 270004a_106832991635_100000759375 [0,1,0,0,0,1|2,0,0]=4 2318 B14R1.979 CCN(CCc1ccccc1)COC 2230a_100000741020_100000766300 [0,1,0,0,0,1|2,0,0]=4 2319 B14R1.979 CCN(CCc1ccccc1)COC 269982a_100000741020_100000766300 [0,1,0,0,0,1|2,0,0]=4 2320 B14R1.979 CCNC(CC)CCc1ccccc1 270004a_100015525214_100011279265 [0,1,0,0,0,1|2,0,0]=4 2321 B14R1.979 CCOC(C#Cc1ccccc1)CC 34a_200000065154_100000210202 [0,1,0,0,0,1|1,0,1]=4 2322 B14R1.979 CCOC(C#Cc1ccccc1)CC 7a_200000065154_100000210202 [0,1,0,0,0,1|1,0,1]=4 2323 B14R1.979 CCOC(CN)COc1ccccc1 34a_100000738913_100000210202 [0,1,0,0,0,1|2,0,0]=4 2324 B14R1.979 COCC(CCl)OCc1ccccc1 34a_100011215053_100015291786 [0,1,0,0,0,1|2,0,0]=4 2325 B14R1.979 COCC(CN)OCc1ccccc1 34a_100000756049_100015291786 [0,1,0,0,0,1|2,0,0]=4 2326 B14R1.979 COCC(CO)NCc1ccccc1 207a_100000724102_100015611070 [0,1,0,0,0,1|2,0,0]=4 2327 B14R1.979 COCC(CO)NCc1ccccc1 2230a_100000724102_100015291786 [0,1,0,0,0,1|2,0,0]=4 2328 B14R1.979 COCC(CO)NCc1ccccc1 270004a_100000724102_100015611070 [0,1,0,0,0,1|2,0,0]=4 2329 B14R1.979 COCC(CO)NCc1ccccc1 34a_100000724102_100015291786 [0,1,0,0,0,1|2,0,0]=4 2330 B14R1.979 NCC(COc1ccccc1)OCF 34a_100000738913_100015361967 [0,1,0,0,0,1|2,0,0]=4 2331 B14R1.2928 CCC(C)(CC)OCc1ccccc1 7a_100000210790_100009817345 [0,1,0,0,0,1|2,0,0]=4 2332 B14R1.2928 CCC(C)(CC)OCc1ccccc1 7a_100000755174_100000211182 [0,1,0,0,0,1|2,0,0]=4 2333 B14R1.2928 CCC(C)(CC)SCc1ccccc1 62a_100000211182_100009817345 [0,1,0,0,0,1|2,0,0]=4 2334 B14R1.2928 CCC(C)(CC)SCc1ccccc1 62a_100009817345_100015291786 [0,1,0,0,0,1|2,0,0]=4 2335 B14R1.2928 CCC(C)(CCc1ccccc1)OC 7a_100011219756_200000210301 [0,1,0,0,0,1|1,0,0]=3 2336 B14R1.2928 CCC(C)(CCc1ccccc1)O[13CH3] 7a_100011219756_200025704644 [0,1,0,0,0,1|1,0,0]=3 2337 B14R1.2928 COC(C)(CNc1ccccc1)OC 34a_100000106764_100000766008 [0,1,0,0,0,1|0,0,0]=2 2338 B14R1.2928 COC(C)(COc1ccccc1)OC 34a_100000210340_100000766008 [0,1,0,0,0,1|0,0,0]=2 2339 B14R1.2928 COC(C)(COc1cccnc1)OC 34a_100000210849_100000766008 [0,1,0,0,0,1|1,0,0]=3 2340 B14R1.2928 COC(C)(COc1ccncc1)OC 34a_100000212176_100000766008 [0,1,0,0,0,1|1,0,0]=3 2341 B14R1.2928 COC(C)(COc1ccnnc1)OC 34a_100015204005_100000766008 [0,1,0,0,0,1|2,0,0]=4 2342 B14R1.2928 COC(C)(CSc1ccccc1)OC 62a_100000719477_100000766008 [0,1,0,0,0,1|0,0,0]=2 2343 B14R1.2928 COC(C)(CSc1ccccc1)OC 62a_100000766008_100000041952 [0,1,0,0,0,1|0,0,0]=2 2344 B14R1.2928 COC(C)(CSc1ccccn1)OC 62a_100000766008_100011216584 [0,1,0,0,0,1|1,0,0]=3 2345 B14R1.2928 COC(C)(CSc1ccccn1)OC 62a_100011216584_100000766008 [0,1,0,0,0,1|1,0,0]=3 2346 B14R1.2928 COC(C)(CSc1cccnc1)OC 62a_100000210063_100000766008 [0,1,0,0,0,1|1,0,0]=3 2347 B14R1.2928 COC(C)(CSc1cccnc1)OC 62a_100000766008_100000210063 [0,1,0,0,0,1|1,0,0]=3 2348 B14R1.2928 COC(C)(CSc1cccnn1)OC 62a_100000766008_100016991348 [0,1,0,0,0,1|2,0,0]=4 2349 B14R1.2928 COC(C)(CSc1cccnn1)OC 62a_100016991348_100000766008 [0,1,0,0,0,1|2,0,0]=4 2350 B14R1.2928 COC(C)(CSc1ccncc1)OC 62a_100000728582_100000766008 [0,1,0,0,0,1|1,0,0]=3 2351 B14R1.2928 COC(C)(CSc1ccncc1)OC 62a_100000766008_100000728582 [0,1,0,0,0,1|1,0,0]=3 2352 B14R1.2928 COC(C)(CSc1ccncn1)OC 62a_100000703185_100000766008 [0,1,0,0,0,1|2,0,0]=4 2353 B14R1.2928 COC(C)(CSc1ccncn1)OC 62a_100000766008_100000703185 [0,1,0,0,0,1|2,0,0]=4 2354 B14R1.2928 COC(C)(CSc1ccnnc1)OC 62a_100000732662_100000766008 [0,1,0,0,0,1|2,0,0]=4 2355 B14R1.2928 COC(C)(CSc1ccnnc1)OC 62a_100000766008_100000732662 [0,1,0,0,0,1|2,0,0]=4 2356 B14R1.2928 COC(C)(CSc1cnccn1)OC 62a_100000211759_100000766008 [0,1,0,0,0,1|2,0,0]=4 2357 B14R1.2928 COC(C)(CSc1cnccn1)OC 62a_100000766008_100000211759 [0,1,0,0,0,1|2,0,0]=4 2358 B14R1.2928 COC(C)(CSc1cncnc1)OC 62a_100000766008_100011206942 [0,1,0,0,0,1|2,0,0]=4 2359 B14R1.2928 COC(C)(CSc1cncnc1)OC 62a_100011206942_100000766008 [0,1,0,0,0,1|2,0,0]=4 2360 B14R1.2928 COC(C)(CSc1ncccn1)OC 62a_100000211032_100000766008 [0,1,0,0,0,1|2,0,0]=4 2361 B14R1.2928 COC(C)(CSc1ncccn1)OC 62a_100000766008_100000211032 [0,1,0,0,0,1|2,0,0]=4 2362 B14R1.2928 CO[Si](C)(CSc1ccccc1)OC 62a_100000067953_100000041952 [0,1,0,0,0,1|0,1,0]=3 2363 B14R1.2928 CO[Si](C)(CSc1ccccc1)OC 62a_100000719477_100000067953 [0,1,0,0,0,1|0,1,0]=3 2364 B14R1.2928 CO[Si](C)(CSc1ccccn1)OC 62a_100000067953_100011216584 [0,1,0,0,0,1|1,1,0]=4 2365 B14R1.2928 CO[Si](C)(CSc1ccccn1)OC 62a_100011216584_100000067953 [0,1,0,0,0,1|1,1,0]=4 2366 B14R1.2928 CO[Si](C)(CSc1cccnc1)OC 62a_100000067953_100000210063 [0,1,0,0,0,1|1,1,0]=4 2367 B14R1.2928 CO[Si](C)(CSc1cccnc1)OC 62a_100000210063_100000067953 [0,1,0,0,0,1|1,1,0]=4 2368 B14R1.2928 CO[Si](C)(CSc1ccncc1)OC 62a_100000067953_100000728582 [0,1,0,0,0,1|1,1,0]=4 2369 B14R1.2928 CO[Si](C)(CSc1ccncc1)OC 62a_100000728582_100000067953 [0,1,0,0,0,1|1,1,0]=4 2370 B14R1.4194 CC(C)C(C#Cc1ccccc1)O[13CH3] 34a_200000035877_200025704644 [0,1,0,0,0,1|1,0,1]=4 2371 B14R1.4194 CC(C)C(C#Cc1ccccc1)O[13CH3] 7a_200000035877_200025704644 [0,1,0,0,0,1|1,0,1]=4 2372 B14R1.4194 CCC(CCc1ccccc1)N(C)C 270004a_100102631434_100011279265 [0,1,0,0,0,1|2,0,0]=4 2373 B14R1.4194 CCC(NCc1ccccc1)C(C)C 207a_100000745074_100015611070 [0,1,0,0,0,1|2,0,0]=4 2374 B14R1.4194 CCC(NCc1ccccc1)C(C)C 270004a_100000745074_100015611070 [0,1,0,0,0,1|2,0,0]=4 2375 B14R1.4194 CCC(NCc1ccccc1)C(C)C 270004a_100015324214_100000210600 [0,1,0,0,0,1|2,0,0]=4 2376 B14R1.4194 CCC(OCc1ccccc1)C(C)C 34a_100011218073_100015291786 [0,1,0,0,0,1|2,0,0]=4 2377 B14R1.4194 CCC(OCc1ccccc1)C(C)C 7a_100011218073_100000211182 [0,1,0,0,0,1|2,0,0]=4 2378 B14R1.4194 CC[C@H](NCc1ccccc1)[C@@H](C)O 207a_100161114882_100015611070 [0,1,0,0,0,1|2,0,0]=4 2379 B14R1.4194 CC[C@H](NCc1ccccc1)[C@@H](C)O 2230a_100161114882_100015291786 [0,1,0,0,0,1|2,0,0]=4 2380 B14R1.4194 CC[C@H](NCc1ccccc1)[C@@H](C)O 34a_100161114882_100015291786 [0,1,0,0,0,1|2,0,0]=4 2381 B14R1.4194 COC(C#Cc1ccccc1)C(C)C 34a_200000035877_200000210301 [0,1,0,0,0,1|1,0,1]=4 2382 B14R1.4194 COC(C#Cc1ccccc1)C(C)C 7a_200000035877_200000210301 [0,1,0,0,0,1|1,0,1]=4 2383 B14R1.72 CCN(COC)Cc1ccc(cc1)Br 2230a_100000187385_100000766300 [0,2,0,0,0,0|2,0,0]=4 2384 B14R1.72 CCN(COC)Cc1ccc(cc1)Br 269982a_100000187385_100000766300 [0,2,0,0,0,0|2,0,0]=4 2385 B14R1.72 CCN(COC)Cc1ccc(cc1)C 2230a_100000180869_100000766300 [0,2,0,0,0,0|2,0,0]=4 2386 B14R1.72 CCN(COC)Cc1ccc(cc1)C 269982a_100000180869_100000766300 [0,2,0,0,0,0|2,0,0]=4 2387 B14R1.72 CCN(COC)Cc1ccc(cc1)Cl 2230a_100000180830_100000766300 [0,2,0,0,0,0|2,0,0]=4 2388 B14R1.72 CCN(COC)Cc1ccc(cc1)Cl 269982a_100000180830_100000766300 [0,2,0,0,0,0|2,0,0]=4 2389 B14R1.72 CCN(COC)Cc1ccc(cc1)F 2230a_100015183324_100000766300 [0,2,0,0,0,0|2,0,0]=4 2390 B14R1.72 CCN(COC)Cc1ccc(cc1)F 269982a_100015183324_100000766300 [0,2,0,0,0,0|2,0,0]=4 2391 B14R1.72 CCN(COC)Cc1ccc(cc1)O 269982a_100000748449_100000766300 [0,2,0,0,0,0|2,0,0]=4 2392 B14R1.72 CCOC(C#N)Cc1ccc(cc1)C 34a_100121572206_100000697087 [0,2,0,0,0,0|2,0,0]=4 2393 B14R1.73 CCN(COC)Cc1cccc(c1)Br 2230a_100000187426_100000766300 [0,2,0,0,0,0|2,0,0]=4 2394 B14R1.73 CCN(COC)Cc1cccc(c1)Br 269982a_100000187426_100000766300 [0,2,0,0,0,0|2,0,0]=4 2395 B14R1.73 CCN(COC)Cc1cccc(c1)C 2230a_102516607250_100000766300 [0,2,0,0,0,0|2,0,0]=4 2396 B14R1.73 CCN(COC)Cc1cccc(c1)C 269982a_102516607250_100000766300 [0,2,0,0,0,0|2,0,0]=4 2397 B14R1.73 CCN(COC)Cc1cccc(c1)Cl 2230a_100000201194_100000766300 [0,2,0,0,0,0|2,0,0]=4 2398 B14R1.73 CCN(COC)Cc1cccc(c1)Cl 269982a_100000201194_100000766300 [0,2,0,0,0,0|2,0,0]=4 2399 B14R1.73 CCN(COC)Cc1cccc(c1)F 2230a_100000195558_100000766300 [0,2,0,0,0,0|2,0,0]=4 2400 B14R1.73 CCN(COC)Cc1cccc(c1)F 269982a_100000195558_100000766300 [0,2,0,0,0,0|2,0,0]=4 2401 B14R1.73 CCN(COC)Cc1cccc(c1)O 2230a_100000201218_100000766300 [0,2,0,0,0,0|2,0,0]=4 2402 B14R1.73 CCN(COC)Cc1cccc(c1)O 269982a_100000201218_100000766300 [0,2,0,0,0,0|2,0,0]=4 2403 B14R1.210 CCN(COC)Cc1ccccc1C 2230a_100000201206_100000766300 [0,2,0,0,0,0|2,0,0]=4 2404 B14R1.210 CCN(COC)Cc1ccccc1C 269982a_100000201206_100000766300 [0,2,0,0,0,0|2,0,0]=4 2405 B14R1.210 CCN(COC)Cc1ccccc1Cl 2230a_100000201176_100000766300 [0,2,0,0,0,0|2,0,0]=4 2406 B14R1.210 CCN(COC)Cc1ccccc1Cl 269982a_100000201176_100000766300 [0,2,0,0,0,0|2,0,0]=4 2407 B14R1.210 CCN(COC)Cc1ccccc1F 2230a_100015186831_100000766300 [0,2,0,0,0,0|2,0,0]=4 2408 B14R1.210 CCN(COC)Cc1ccccc1F 269982a_100015186831_100000766300 [0,2,0,0,0,0|2,0,0]=4 2409 B14R1.210 CCN(COC)Cc1ccccc1O 2230a_100011223546_100000766300 [0,2,0,0,0,0|2,0,0]=4 2410 B14R1.210 CCN(COC)Cc1ccccc1O 269982a_100011223546_100000766300 [0,2,0,0,0,0|2,0,0]=4 2411 B14R1.467 C#CC(Cc1ccccc1)OCC#N 7a_100000685211_100011215382 [0,2,0,0,0,0|1,0,1]=4 2412 B14R1.467 C#CC(Cc1ccccc1)OCC=C 34a_100000685211_100015514636 [0,2,0,0,0,0|1,0,1]=4 2413 B14R1.467 C#CC(Cc1ccccc1)OCC=C 7a_100000685211_100015514636 [0,2,0,0,0,0|1,0,1]=4 2414 B14R1.467 C#CC(Cc1ccccc1)OCC=O 34a_100000685211_200009817547 [0,2,0,0,0,0|1,0,1]=4 2415 B14R1.467 C#CC(Cc1ccccc1)OCC=O 7a_100000685211_200015260668 [0,2,0,0,0,0|1,0,1]=4 2416 B14R1.467 C#CC(Cc1ccccc1)OCCC 34a_100000685211_100000210303 [0,2,0,0,0,0|1,0,1]=4 2417 B14R1.467 C#CC(Cc1ccccc1)OCCC 7a_100000685211_100000210303 [0,2,0,0,0,0|1,0,1]=4 2418 B14R1.467 C#CC(Cc1ccccc1)OCCF 34a_100000685211_100011217306 [0,2,0,0,0,0|1,0,1]=4 2419 B14R1.467 C#CC(Cc1ccccc1)OCCF 7a_100000685211_100011217306 [0,2,0,0,0,0|1,0,1]=4 2420 B14R1.467 C#CC(Cc1ccccc1)OCCO 34a_100000685211_100000211926 [0,2,0,0,0,0|1,0,1]=4 2421 B14R1.467 C#CC(Cc1ccccc1)OCCO 7a_100000685211_100000211926 [0,2,0,0,0,0|1,0,1]=4 2422 B14R1.467 C#CC(Cc1ccccc1)OCSC 34a_100000685211_100011218213 [0,2,0,0,0,0|1,0,1]=4 2423 B14R1.467 C#CCOC(C#C)Cc1ccccc1 34a_100000685211_100000184674 [0,2,0,0,0,0|1,0,1]=4 2424 B14R1.467 C#CCOC(C#C)Cc1ccccc1 7a_100000685211_100000038162 [0,2,0,0,0,0|1,0,1]=4 2425 B14R1.467 C#CCOC(CC)Cc1ccccc1 7a_100000760156_100000038162 [0,2,0,0,0,0|1,0,0]=3 2426 B14R1.467 C#CCOC(CN)Cc1ccccc1 34a_100000752270_100000184674 [0,2,0,0,0,0|2,0,0]=4 2427 B14R1.467 C#CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000038162 [0,2,0,0,0,0|2,0,0]=4 2428 B14R1.467 C=CCNC(CC)Cc1ccccc1 270004a_100020586998_100000212045 [0,2,0,0,0,0|2,0,0]=4 2429 B14R1.467 C=CCOC(CC)Cc1ccccc1 7a_100000760156_100015514636 [0,2,0,0,0,0|1,0,0]=3 2430 B14R1.467 C=CCOC(CN)Cc1ccccc1 34a_100000752270_100015514636 [0,2,0,0,0,0|2,0,0]=4 2431 B14R1.467 C=CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015514636 [0,2,0,0,0,0|2,0,0]=4 2432 B14R1.467 CCC(Cc1ccccc1)NCCO 270004a_100000210304_100000212045 [0,2,0,0,0,0|2,0,0]=4 2433 B14R1.467 CCC(Cc1ccccc1)OCC#N 7a_100000760156_100011215382 [0,2,0,0,0,0|1,0,0]=3 2434 B14R1.467 CCC(Cc1ccccc1)OCC=O 7a_100000760156_200015260668 [0,2,0,0,0,0|1,0,0]=3 2435 B14R1.467 CCC(Cc1ccccc1)OCCF 7a_100000760156_100011217306 [0,2,0,0,0,0|1,0,0]=3 2436 B14R1.467 CCC(Cc1ccccc1)OCCO 7a_100000760156_100000211926 [0,2,0,0,0,0|1,0,0]=3 2437 B14R1.467 CCCCC(Cc1ccccc1)NC 270004a_106832991635_200011218368 [0,2,0,0,0,0|2,0,0]=4 2438 B14R1.467 CCCNC(CC)Cc1ccccc1 270004a_100020643023_100000212045 [0,2,0,0,0,0|2,0,0]=4 2439 B14R1.467 CCCOC(CC)Cc1ccccc1 7a_100000760156_100000210303 [0,2,0,0,0,0|1,0,0]=3 2440 B14R1.467 CCCOC(CN)Cc1ccccc1 34a_100000752270_100000210303 [0,2,0,0,0,0|2,0,0]=4 2441 B14R1.467 CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210303 [0,2,0,0,0,0|2,0,0]=4 2442 B14R1.467 CCN(CCOC)Cc1ccccc1 2230a_100000186914_100011201679 [0,2,0,0,0,0|2,0,0]=4 2443 B14R1.467 CCN(CCOC)Cc1ccccc1 2230a_100000731262_100015291786 [0,2,0,0,0,0|2,0,0]=4 2444 B14R1.467 CCN(CCOC)Cc1ccccc1 269982a_100000186914_100000233755 [0,2,0,0,0,0|2,0,0]=4 2445 B14R1.467 CCN(CCOC)Cc1ccccc1 269982a_100000731262_100000211182 [0,2,0,0,0,0|2,0,0]=4 2446 B14R1.467 CCN(CCOC)Cc1ccccc1 270004a_100000731262_100015611070 [0,2,0,0,0,0|2,0,0]=4 2447 B14R1.467 CCOCC(C#N)Cc1ccccc1 34a_100000684917_100000210202 [0,2,0,0,0,0|2,0,0]=4 2448 B14R1.467 CCOCC(C#N)Cc1ccccc1 7a_100000684917_100000210202 [0,2,0,0,0,0|2,0,0]=4 2449 B14R1.467 CCOCC(CN)Cc1ccccc1 34a_100160572655_100000210202 [0,2,0,0,0,0|2,0,0]=4 2450 B14R1.467 CCOCN(CC)Cc1ccccc1 269982a_100000186914_100000739092 [0,2,0,0,0,0|2,0,0]=4 2451 B14R1.467 CCOC[C@H](Cc1ccccc1)NC 34a_100016995599_100000210202 [0,2,0,0,0,0|1,0,0]=3 2452 B14R1.467 CN[C@H](COCF)Cc1ccccc1 34a_100016995599_100015361967 [0,2,0,0,0,0|1,0,0]=3 2453 B14R1.467 COCNC(C#N)Cc1ccccc1 2230a_100000746547_100000766300 [0,2,0,0,0,0|2,0,0]=4 2454 B14R1.467 COCNC(CO)Cc1ccccc1 2230a_100000739027_100000766300 [0,2,0,0,0,0|2,0,0]=4 2455 B14R1.467 COCSC(C#N)Cc1ccccc1 62a_100000183401_100000766300 [0,2,0,0,0,0|2,0,0]=4 2456 B14R1.467 COCSC(C#N)Cc1ccccc1 62a_100000766300_100000183401 [0,2,0,0,0,0|2,0,0]=4 2457 B14R1.467 CSCOC(CN)Cc1ccccc1 34a_100000752270_100011218213 [0,2,0,0,0,0|2,0,0]=4 2458 B14R1.467 FCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011217306 [0,2,0,0,0,0|2,0,0]=4 2459 B14R1.467 N#CC(COCF)Cc1ccccc1 34a_100000684917_100015361967 [0,2,0,0,0,0|2,0,0]=4 2460 B14R1.467 N#CC(COCF)Cc1ccccc1 7a_100000684917_100015361967 [0,2,0,0,0,0|2,0,0]=4 2461 B14R1.467 N#CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011215382 [0,2,0,0,0,0|2,0,0]=4 2462 B14R1.467 NCC(COCF)Cc1ccccc1 34a_100160572655_100015361967 [0,2,0,0,0,0|2,0,0]=4 2463 B14R1.467 NCC(Cc1ccccc1)OCC=O 34a_100000752270_200009817547 [0,2,0,0,0,0|2,0,0]=4 2464 B14R1.467 NCC(Cc1ccccc1)OCCF 34a_100000752270_100011217306 [0,2,0,0,0,0|2,0,0]=4 2465 B14R1.467 NCC(Cc1ccccc1)OCCO 34a_100000752270_100000211926 [0,2,0,0,0,0|2,0,0]=4 2466 B14R1.467 O=CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_200015260668 [0,2,0,0,0,0|2,0,0]=4 2467 B14R1.467 OCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000211926 [0,2,0,0,0,0|2,0,0]=4 2468 B14R1.494 CCCN(COC)Cc1ccccc1 2230a_100000184400_100000766300 [0,2,0,0,0,0|2,0,0]=4 2469 B14R1.494 CCCN(COC)Cc1ccccc1 269982a_100000184400_100000766300 [0,2,0,0,0,0|2,0,0]=4 2470 B14R1.494 CCNC(COC)Cc1ccccc1 2230a_100000766165_100000210202 [0,2,0,0,0,0|1,0,0]=3 2471 B14R1.494 COCN(CCO)Cc1ccccc1 2230a_100000180844_100000766300 [0,2,0,0,0,0|2,0,0]=4 2472 B14R1.494 COCN(CCO)Cc1ccccc1 269982a_100000180844_100000766300 [0,2,0,0,0,0|2,0,0]=4 2473 B14R1.549 C#CC(Cc1ccccc1)OC(C)C 34a_100000685211_100000210206 [0,2,0,0,0,0|1,0,1]=4 2474 B14R1.549 C#CC(Cc1ccccc1)OC(C)C 7a_100000685211_100000210206 [0,2,0,0,0,0|1,0,1]=4 2475 B14R1.549 CC(C)CC(Cc1ccccc1)O[13CH3] 34a_100011350937_200025704644 [0,2,0,0,0,0|1,0,0]=3 2476 B14R1.549 CC(C)CC(Cc1ccccc1)O[13CH3] 7a_100011350937_200025704644 [0,2,0,0,0,0|1,0,0]=3 2477 B14R1.549 CC(C)OC(CN)Cc1ccccc1 34a_100000752270_100000210206 [0,2,0,0,0,0|2,0,0]=4 2478 B14R1.549 CC(C)O[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210206 [0,2,0,0,0,0|2,0,0]=4 2479 B14R1.549 CCC(Cc1ccccc1)OC(C)C 7a_100000760156_100000210206 [0,2,0,0,0,0|1,0,0]=3 2480 B14R1.549 COC(Cc1ccccc1)CC(C)C 34a_100011350937_200000210301 [0,2,0,0,0,0|1,0,0]=3 2481 B14R1.549 COC(Cc1ccccc1)CC(C)C 7a_100011350937_200000210301 [0,2,0,0,0,0|1,0,0]=3 2482 B14R1.980 CCNC(Cc1ccccc1)C(C)C 270004a_100015525214_200000703227 [0,2,0,0,0,0|2,0,0]=4 2483 B14R1.980 COCN(Cc1ccccc1)C(C)C 2230a_100000068392_100000766300 [0,2,0,0,0,0|2,0,0]=4 2484 B14R1.980 COCN(Cc1ccccc1)C(C)C 269982a_100000068392_100000766300 [0,2,0,0,0,0|2,0,0]=4 2485 B14R1.1031 CCC(Nc1ccccc1)C(=O)OC 34a_100000106764_100000235869 [0,2,0,0,0,0|2,0,0]=4 2486 B14R1.1031 CCC(Oc1ccccc1)C(=O)OC 34a_100000210340_100000235869 [0,2,0,0,0,0|2,0,0]=4 2487 B14R1.1031 CCC(Oc1ccccc1)C(=O)OC 7a_100000210340_100000742303 [0,2,0,0,0,0|2,0,0]=4 2488 B14R1.1031 CCC(Sc1ccccc1)C(=O)OC 62a_100000235869_100000041952 [0,2,0,0,0,0|2,0,0]=4 2489 B14R1.1031 CCC(Sc1ccccc1)C(=O)OC 62a_100000719477_100000235869 [0,2,0,0,0,0|2,0,0]=4 2490 B14R1.1031 CCN(Cc1ccccc1)C(C)OC 269982a_100000186914_100009879195 [0,2,0,0,0,0|2,0,0]=4 2491 B14R1.1031 CNC(=O)C(Cc1ccccc1)NC 2230a_100000719550_200000210301 [0,2,0,0,0,0|2,0,0]=4 2492 B14R1.1031 CNC(=O)C(Cc1ccccc1)NC 34a_100000719550_200000210301 [0,2,0,0,0,0|2,0,0]=4 2493 B14R1.1031 CNC(=O)C(Cc1ccccc1)N[13CH3] 2230a_100000719550_200025704644 [0,2,0,0,0,0|2,0,0]=4 2494 B14R1.1031 CNC(=O)C(Cc1ccccc1)N[13CH3] 34a_100000719550_200025704644 [0,2,0,0,0,0|2,0,0]=4 2495 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC 34a_100102657272_100000764117 [0,2,0,0,0,0|1,0,0]=3 2496 B14R1.1031 COC(=O)C(Cc1ccccc1)OC 34a_100138415774_100000764117 [0,2,0,0,0,0|0,0,0]=2 2497 B14R1.1031 COC(=O)C(Cc1ccccc1)SC 62a_100000764117_200000210301 [0,2,0,0,0,0|0,1,0]=3 2498 B14R1.1031 COC(=O)C(Cc1ccccc1)SC 62a_200000210301_100000764117 [0,2,0,0,0,0|0,1,0]=3 2499 B14R1.1031 COC(=O)C(Cc1ccccc1)S[13CH3] 62a_100000764117_200025704644 [0,2,0,0,0,0|0,1,0]=3 2500 B14R1.1031 COC(=O)C(Cc1ccccc1)S[13CH3] 62a_200025704644_100000764117 [0,2,0,0,0,0|0,1,0]=3 2501 B14R1.1031 COC(=O)C(Nc1ccccc1)OC 34a_100000106764_100000101307 [0,2,0,0,0,0|1,0,0]=3 2502 B14R1.1031 COC(=O)C(OC)Oc1ccccc1 34a_100000210340_100000101307 [0,2,0,0,0,0|1,0,0]=3 2503 B14R1.1031 COC(=O)C(OC)Oc1cccnc1 34a_100000210849_100000101307 [0,2,0,0,0,0|2,0,0]=4 2504 B14R1.1031 COC(=O)C(OC)Oc1ccncc1 34a_100000212176_100000101307 [0,2,0,0,0,0|2,0,0]=4 2505 B14R1.1031 COC(=O)C(OC)Sc1ccccc1 62a_100000101307_100000041952 [0,2,0,0,0,0|1,0,0]=3 2506 B14R1.1031 COC(=O)C(OC)Sc1ccccc1 62a_100000719477_100000101307 [0,2,0,0,0,0|1,0,0]=3 2507 B14R1.1031 COC(=O)C(OC)Sc1ccccn1 62a_100000101307_100011216584 [0,2,0,0,0,0|2,0,0]=4 2508 B14R1.1031 COC(=O)C(OC)Sc1ccccn1 62a_100011216584_100000101307 [0,2,0,0,0,0|2,0,0]=4 2509 B14R1.1031 COC(=O)C(OC)Sc1cccnc1 62a_100000101307_100000210063 [0,2,0,0,0,0|2,0,0]=4 2510 B14R1.1031 COC(=O)C(OC)Sc1cccnc1 62a_100000210063_100000101307 [0,2,0,0,0,0|2,0,0]=4 2511 B14R1.1031 COC(=O)C(OC)Sc1ccncc1 62a_100000101307_100000728582 [0,2,0,0,0,0|2,0,0]=4 2512 B14R1.1031 COC(=O)C(OC)Sc1ccncc1 62a_100000728582_100000101307 [0,2,0,0,0,0|2,0,0]=4 2513 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC 34a_100009819611_200000210301 [0,2,0,0,0,0|0,0,0]=2 2514 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC 7a_100009819611_200000210301 [0,2,0,0,0,0|0,0,0]=2 2515 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)O[13CH3] 34a_100009819611_200025704644 [0,2,0,0,0,0|0,0,0]=2 2516 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)O[13CH3] 7a_100009819611_200025704644 [0,2,0,0,0,0|0,0,0]=2 2517 B14R1.6710 CCC(C)(Cc1ccccc1)OCF 7a_100011346069_100015361967 [0,2,0,0,0,0|1,0,0]=3 2518 B14R1.6710 CCOC(C)(CC)Cc1ccccc1 7a_100011346069_100000210202 [0,2,0,0,0,0|1,0,0]=3 2519 B14R1.536 CC(=O)C(Cc1ccc(cc1)Cl)S[13CH3] 62a_200009990494_200025704644 [0,2,0,0,0,0|1,1,0]=4 2520 B14R1.536 CC(=O)C(Cc1ccc(cc1)Cl)S[13CH3] 62a_200025704644_200009990494 [0,2,0,0,0,0|1,1,0]=4 2521 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 34a_100102657272_200009990494 [0,2,0,0,0,0|2,0,0]=4 2522 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 7a_106832991635_200009990494 [0,2,0,0,0,0|2,0,0]=4 2523 B14R1.536 COC(Cc1ccc(cc1)Cl)C(=O)C 34a_100138415774_200009990494 [0,2,0,0,0,0|1,0,0]=3 2524 B14R1.536 CSC(Cc1ccc(cc1)Cl)C(=O)C 62a_200000210301_200009990494 [0,2,0,0,0,0|1,1,0]=4 2525 B14R1.536 CSC(Cc1ccc(cc1)Cl)C(=O)C 62a_200009990494_200000210301 [0,2,0,0,0,0|1,1,0]=4 2526 B14R1.3634 COP(=O)(Cc1ccc(cc1)O)OC 271570a_203496583355_100009814062 [0,2,0,0,0,0|1,0,0]=3 2527 B14R1.542 CC(=O)C(Cc1cccc(c1)Cl)S[13CH3] 62a_200009990483_200025704644 [0,2,0,0,0,0|1,1,0]=4 2528 B14R1.542 CC(=O)C(Cc1cccc(c1)Cl)S[13CH3] 62a_200025704644_200009990483 [0,2,0,0,0,0|1,1,0]=4 2529 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)C 34a_100102657272_200009990483 [0,2,0,0,0,0|2,0,0]=4 2530 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)C 7a_106832991635_200009990483 [0,2,0,0,0,0|2,0,0]=4 2531 B14R1.542 COC(Cc1cccc(c1)Cl)C(=O)C 34a_100138415774_200009990483 [0,2,0,0,0,0|1,0,0]=3 2532 B14R1.542 CSC(Cc1cccc(c1)Cl)C(=O)C 62a_200000210301_200009990483 [0,2,0,0,0,0|1,1,0]=4 2533 B14R1.542 CSC(Cc1cccc(c1)Cl)C(=O)C 62a_200009990483_200000210301 [0,2,0,0,0,0|1,1,0]=4 2534 B14R1.4513 CC(=O)[C@H](Cc1ccccc1)N(C)C 1458a_102495365803_200000210301 [0,2,0,0,0,0|2,0,0]=4 2535 B14R1.4513 CC(C)C(Cc1ccccc1)N(C)C 270004a_100102631434_200000703227 [0,2,0,0,0,0|2,0,0]=4 2536 B14R1.4513 CN(C)[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_102495365803_200025704644 [0,2,0,0,0,0|2,0,0]=4 2537 B12R1.53 C=CC=CC(=O)CC1CCCO1 1458a_100016291481_100000203698 [0,0,1,1,0,0|2,0,0]=4 2538 B12R1.53 C=CC=CC(=O)CC1OCCO1 1458a_100016291481_100000755774 [0,0,1,1,0,0|1,0,0]=3 2539 B12R1.3687 C=CC=CC(=O)CC1(CO1)CC 1458a_100016291481_200000139556 [0,0,1,1,0,0|2,0,0]=4 2540 B12R1.297 COC(COc1ccsc1)OC 34a_100000106738_100000211822 [0,0,1,1,0,0|2,0,0]=4 2541 B12R1.297 COC(COc1ccsc1)OC 7a_100000106738_100000751394 [0,0,1,1,0,0|2,0,0]=4 2542 B12R1.297 COC(CSc1ccco1)OC 62a_100000751394_100009814098 [0,0,1,1,0,0|2,0,0]=4 2543 B12R1.297 COC(CSc1ccco1)OC 62a_100009814098_100000751394 [0,0,1,1,0,0|2,0,0]=4 2544 B12R1.297 COC(CSc1cccs1)OC 62a_100000751394_100011215356 [0,0,1,1,0,0|2,0,0]=4 2545 B12R1.297 COC(CSc1cccs1)OC 62a_100011215356_100000751394 [0,0,1,1,0,0|2,0,0]=4 2546 B12R1.297 COC(CSc1ccoc1)OC 62a_100000751394_100011215275 [0,0,1,1,0,0|2,0,0]=4 2547 B12R1.297 COC(CSc1ccoc1)OC 62a_100011215275_100000751394 [0,0,1,1,0,0|2,0,0]=4 2548 B12R1.297 COC(CSc1ccsc1)OC 62a_100000738268_100000751394 [0,0,1,1,0,0|2,0,0]=4 2549 B12R1.297 COC(CSc1ccsc1)OC 62a_100000751394_100000738268 [0,0,1,1,0,0|2,0,0]=4 2550 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [1,0,0,1,0,0|1,0,0]=3 2551 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [1,0,0,1,0,0|1,0,0]=3 2552 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [1,0,0,1,0,0|1,0,0]=3 2553 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [1,0,0,1,0,0|1,0,0]=3 2554 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [1,0,0,1,0,0|1,0,0]=3 2555 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [1,0,0,1,0,0|1,0,0]=3 2556 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 2557 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [1,0,0,1,0,0|2,0,0]=4 2558 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 2559 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [1,0,0,1,0,0|2,0,0]=4 2560 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [1,0,0,1,0,0|2,0,0]=4 2561 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [1,0,0,1,0,0|2,0,0]=4 2562 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [1,0,0,1,0,0|2,0,0]=4 2563 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [1,0,0,1,0,0|2,0,0]=4 2564 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [1,0,0,1,0,0|2,0,0]=4 2565 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [1,0,0,1,0,0|2,0,0]=4 2566 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 2567 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 2568 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 2569 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 2570 B12R2.32 CCN1Cc2ccccc2C1 2230a_100000752595_100000210202 [1,0,0,1,0,0|2,0,0]=4 2571 B12R2.32 CCN1Cc2ccccc2C1 269982a_100000752595_100000204670 [1,0,0,1,0,0|2,0,0]=4 2572 B12R2.32 CCN1Cc2ccccc2C1 34a_100000752595_100000210202 [1,0,0,1,0,0|2,0,0]=4 2573 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [1,0,0,1,0,0|1,0,0]=3 2574 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [1,0,0,1,0,0|1,0,0]=3 2575 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [1,0,0,1,0,0|1,0,0]=3 2576 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [1,0,0,1,0,0|1,0,0]=3 2577 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [1,0,0,1,0,0|0,0,0]=2 2578 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [1,0,0,1,0,0|0,0,0]=2 2579 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [1,0,0,1,0,0|0,1,0]=3 2580 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [1,0,0,1,0,0|1,0,0]=3 2581 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [1,0,0,1,0,0|1,0,0]=3 2582 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [1,0,0,1,0,0|0,0,0]=2 2583 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [1,0,0,1,0,0|0,1,0]=3 2584 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [1,0,0,1,0,0|2,0,0]=4 2585 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [1,0,0,1,0,0|2,0,0]=4 2586 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [1,0,0,1,0,0|2,0,0]=4 2587 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [1,0,0,1,0,0|2,0,0]=4 2588 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,0,0,1,1,0|2,0,0]=4 2589 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,0,0,1,1,0|2,0,0]=4 2590 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,0,0,1,1,0|2,0,0]=4 2591 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,0,0,1,1,0|2,0,0]=4 2592 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,0,0,1,1,0|1,0,0]=3 2593 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,0,0,1,1,0|1,0,0]=3 2594 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,0,0,1,1,0|1,1,0]=4 2595 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,0,0,1,1,0|2,0,0]=4 2596 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,0,0,1,1,0|2,0,0]=4 2597 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,0,0,1,1,0|1,0,0]=3 2598 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,0,0,1,1,0|1,0,0]=3 2599 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,0,0,1,1,0|1,1,0]=4 2600 B12R2.48 CNC1(CC1)c2ccccc2 2230a_100000749958_200000210301 [0,0,0,1,1,0|2,0,0]=4 2601 B12R2.48 [13CH3]NC1(CC1)c2ccccc2 2230a_100000749958_200025704644 [0,0,0,1,1,0|2,0,0]=4 2602 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,0,0,1,0,1|2,0,0]=4 2603 B14R2.92 COC1CCc2ccccc2C1=O 34a_100138415774_100000229917 [0,0,0,1,0,1|2,0,0]=4 2604 B14R2.93 CNC1CCc2ccccc2CC1 270004a_106832991635_100009869843 [0,0,0,1,0,1|2,0,0]=4 2605 B14R2.101 c1cc(ccn1)OCC2OCCO2 34a_100000212176_100000755774 [0,0,0,1,0,1|1,0,0]=3 2606 B14R2.101 c1cc(ccn1)SCC2CCCO2 62a_100000203698_100000728582 [0,0,0,1,0,1|2,0,0]=4 2607 B14R2.101 c1cc(ccn1)SCC2CCCO2 62a_100000728582_100000203698 [0,0,0,1,0,1|2,0,0]=4 2608 B14R2.101 c1cc(ccn1)SCC2OCCO2 62a_100000728582_100000755774 [0,0,0,1,0,1|1,0,0]=3 2609 B14R2.101 c1cc(ccn1)SCC2OCCO2 62a_100000755774_100000728582 [0,0,0,1,0,1|1,0,0]=3 2610 B14R2.101 c1cc(cnn1)OCC2OCCO2 34a_100015204005_100000755774 [0,0,0,1,0,1|2,0,0]=4 2611 B14R2.101 c1cc(cnn1)SCC2OCCO2 62a_100000732662_100000755774 [0,0,0,1,0,1|2,0,0]=4 2612 B14R2.101 c1cc(cnn1)SCC2OCCO2 62a_100000755774_100000732662 [0,0,0,1,0,1|2,0,0]=4 2613 B14R2.101 c1cc(ncn1)NCC2OCCO2 27a_100000036311_100000703185 [0,0,0,1,0,1|2,0,0]=4 2614 B14R2.101 c1cc(ncn1)SCC2OCCO2 62a_100000703185_100000755774 [0,0,0,1,0,1|2,0,0]=4 2615 B14R2.101 c1cc(ncn1)SCC2OCCO2 62a_100000755774_100000703185 [0,0,0,1,0,1|2,0,0]=4 2616 B14R2.101 c1ccc(cc1)CNC2CCCC2 207a_100000211070_100015611070 [0,0,0,1,0,1|2,0,0]=4 2617 B14R2.101 c1ccc(cc1)CNC2CCCC2 2230a_100000211070_100015291786 [0,0,0,1,0,1|2,0,0]=4 2618 B14R2.101 c1ccc(cc1)CNC2CCCC2 2230a_100015324214_100000179811 [0,0,0,1,0,1|2,0,0]=4 2619 B14R2.101 c1ccc(cc1)CNC2CCCC2 270004a_100000211070_100015611070 [0,0,0,1,0,1|2,0,0]=4 2620 B14R2.101 c1ccc(cc1)CNC2CCCC2 270004a_100015324214_100000210133 [0,0,0,1,0,1|2,0,0]=4 2621 B14R2.101 c1ccc(cc1)CNC2CCCC2 34a_100000211070_100015291786 [0,0,0,1,0,1|2,0,0]=4 2622 B14R2.101 c1ccc(cc1)CNC2CCCC2 34a_100015324214_100000179811 [0,0,0,1,0,1|2,0,0]=4 2623 B14R2.101 c1ccc(cc1)COC2CCCC2 34a_100000210269_100015291786 [0,0,0,1,0,1|2,0,0]=4 2624 B14R2.101 c1ccc(cc1)COC2CCCC2 34a_100000210790_100000179811 [0,0,0,1,0,1|2,0,0]=4 2625 B14R2.101 c1ccc(cc1)COC2CCCC2 7a_100000210269_100000211182 [0,0,0,1,0,1|2,0,0]=4 2626 B14R2.101 c1ccc(cc1)COC2CCCC2 7a_100000210790_100000179811 [0,0,0,1,0,1|2,0,0]=4 2627 B14R2.101 c1ccc(cc1)COC2CCCO2 34a_100000085407_100015291786 [0,0,0,1,0,1|1,0,0]=3 2628 B14R2.101 c1ccc(cc1)CSC2CCCC2 62a_100000211182_100000179811 [0,0,0,1,0,1|2,0,0]=4 2629 B14R2.101 c1ccc(cc1)CSC2CCCC2 62a_100011217020_100015291786 [0,0,0,1,0,1|2,0,0]=4 2630 B14R2.101 c1ccc(cc1)NCC2CCCC2 34a_100000106764_100000740388 [0,0,0,1,0,1|2,0,0]=4 2631 B14R2.101 c1ccc(cc1)NCC2OCCO2 34a_100000106764_100000755774 [0,0,0,1,0,1|0,0,0]=2 2632 B14R2.101 c1ccc(cc1)OCC2CCCC2 34a_100000210340_100000740388 [0,0,0,1,0,1|2,0,0]=4 2633 B14R2.101 c1ccc(cc1)OCC2CCCC2 7a_100000210340_100000740388 [0,0,0,1,0,1|2,0,0]=4 2634 B14R2.101 c1ccc(cc1)OCC2CCCO2 7a_100000210340_100000203698 [0,0,0,1,0,1|1,0,0]=3 2635 B14R2.101 c1ccc(cc1)OCC2OCCO2 34a_100000210340_100000755774 [0,0,0,1,0,1|0,0,0]=2 2636 B14R2.101 c1ccc(cc1)OCC2OCCO2 7a_100000210340_100000755774 [0,0,0,1,0,1|0,0,0]=2 2637 B14R2.101 c1ccc(cc1)SCC2CCCC2 62a_100000719477_100000740388 [0,0,0,1,0,1|2,0,0]=4 2638 B14R2.101 c1ccc(cc1)SCC2CCCC2 62a_100000740388_100000041952 [0,0,0,1,0,1|2,0,0]=4 2639 B14R2.101 c1ccc(cc1)SCC2CCCO2 62a_100000203698_100000041952 [0,0,0,1,0,1|1,0,0]=3 2640 B14R2.101 c1ccc(cc1)SCC2CCCO2 62a_100000719477_100000203698 [0,0,0,1,0,1|1,0,0]=3 2641 B14R2.101 c1ccc(cc1)SCC2OCCO2 62a_100000719477_100000755774 [0,0,0,1,0,1|0,0,0]=2 2642 B14R2.101 c1ccc(cc1)SCC2OCCO2 62a_100000755774_100000041952 [0,0,0,1,0,1|0,0,0]=2 2643 B14R2.101 c1ccc(nc1)COC2CCCO2 34a_100000085407_100000721315 [0,0,0,1,0,1|2,0,0]=4 2644 B14R2.101 c1ccc(nc1)SCC2CCCO2 62a_100000203698_100011216584 [0,0,0,1,0,1|2,0,0]=4 2645 B14R2.101 c1ccc(nc1)SCC2CCCO2 62a_100011216584_100000203698 [0,0,0,1,0,1|2,0,0]=4 2646 B14R2.101 c1ccc(nc1)SCC2OCCO2 62a_100000755774_100011216584 [0,0,0,1,0,1|1,0,0]=3 2647 B14R2.101 c1ccc(nc1)SCC2OCCO2 62a_100011216584_100000755774 [0,0,0,1,0,1|1,0,0]=3 2648 B14R2.101 c1cnc(cn1)NCC2OCCO2 27a_100000036311_100000211759 [0,0,0,1,0,1|2,0,0]=4 2649 B14R2.101 c1cnc(cn1)SCC2OCCO2 62a_100000211759_100000755774 [0,0,0,1,0,1|2,0,0]=4 2650 B14R2.101 c1cnc(cn1)SCC2OCCO2 62a_100000755774_100000211759 [0,0,0,1,0,1|2,0,0]=4 2651 B14R2.101 c1cnc(nc1)NCC2OCCO2 27a_100000036311_100000211032 [0,0,0,1,0,1|2,0,0]=4 2652 B14R2.101 c1cnc(nc1)SCC2OCCO2 62a_100000211032_100000755774 [0,0,0,1,0,1|2,0,0]=4 2653 B14R2.101 c1cnc(nc1)SCC2OCCO2 62a_100000755774_100000211032 [0,0,0,1,0,1|2,0,0]=4 2654 B14R2.101 c1cncc(c1)COC2CCCO2 34a_100000085407_100000733263 [0,0,0,1,0,1|2,0,0]=4 2655 B14R2.101 c1cncc(c1)OCC2CCCO2 7a_100000210849_100000203698 [0,0,0,1,0,1|2,0,0]=4 2656 B14R2.101 c1cncc(c1)OCC2OCCO2 34a_100000210849_100000755774 [0,0,0,1,0,1|1,0,0]=3 2657 B14R2.101 c1cncc(c1)OCC2OCCO2 7a_100000210849_100000755774 [0,0,0,1,0,1|1,0,0]=3 2658 B14R2.101 c1cncc(c1)SCC2CCCO2 62a_100000203698_100000210063 [0,0,0,1,0,1|2,0,0]=4 2659 B14R2.101 c1cncc(c1)SCC2CCCO2 62a_100000210063_100000203698 [0,0,0,1,0,1|2,0,0]=4 2660 B14R2.101 c1cncc(c1)SCC2OCCO2 62a_100000210063_100000755774 [0,0,0,1,0,1|1,0,0]=3 2661 B14R2.101 c1cncc(c1)SCC2OCCO2 62a_100000755774_100000210063 [0,0,0,1,0,1|1,0,0]=3 2662 B14R2.101 c1cnnc(c1)NCC2OCCO2 27a_100000036311_100016991348 [0,0,0,1,0,1|2,0,0]=4 2663 B14R2.101 c1cnnc(c1)SCC2OCCO2 62a_100000755774_100016991348 [0,0,0,1,0,1|2,0,0]=4 2664 B14R2.101 c1cnnc(c1)SCC2OCCO2 62a_100016991348_100000755774 [0,0,0,1,0,1|2,0,0]=4 2665 B14R2.101 c1ncc(cn1)OCC2OCCO2 7a_100000754086_100000755774 [0,0,0,1,0,1|2,0,0]=4 2666 B14R2.101 c1ncc(cn1)SCC2OCCO2 62a_100000755774_100011206942 [0,0,0,1,0,1|2,0,0]=4 2667 B14R2.101 c1ncc(cn1)SCC2OCCO2 62a_100011206942_100000755774 [0,0,0,1,0,1|2,0,0]=4 2668 B14R2.3492 CCC1(CC1)NCc2ccccc2 207a_100000732774_100015611070 [0,0,0,1,0,1|2,0,0]=4 2669 B14R2.3492 CCC1(CC1)NCc2ccccc2 2230a_100000732774_100015291786 [0,0,0,1,0,1|2,0,0]=4 2670 B14R2.3492 CCC1(CO1)CNc2ccccc2 34a_100000106764_200000139556 [0,0,0,1,0,1|1,0,0]=3 2671 B14R2.3492 CCC1(CO1)COc2ccccc2 34a_100000210340_200000139556 [0,0,0,1,0,1|1,0,0]=3 2672 B14R2.3492 CCC1(CO1)COc2ccccc2 7a_100000210340_200000139556 [0,0,0,1,0,1|1,0,0]=3 2673 B14R2.3492 CCC1(CO1)COc2cccnc2 34a_100000210849_200000139556 [0,0,0,1,0,1|2,0,0]=4 2674 B14R2.3492 CCC1(CO1)COc2cccnc2 7a_100000210849_200000139556 [0,0,0,1,0,1|2,0,0]=4 2675 B14R2.3492 CCC1(CO1)COc2ccncc2 34a_100000212176_200000139556 [0,0,0,1,0,1|2,0,0]=4 2676 B14R2.3492 CCC1(CO1)CSc2ccccc2 62a_100000719477_200000139556 [0,0,0,1,0,1|1,0,0]=3 2677 B14R2.3492 CCC1(CO1)CSc2ccccc2 62a_200000139556_100000041952 [0,0,0,1,0,1|1,0,0]=3 2678 B14R2.3492 CCC1(CO1)CSc2ccccn2 62a_100011216584_200000139556 [0,0,0,1,0,1|2,0,0]=4 2679 B14R2.3492 CCC1(CO1)CSc2ccccn2 62a_200000139556_100011216584 [0,0,0,1,0,1|2,0,0]=4 2680 B14R2.3492 CCC1(CO1)CSc2cccnc2 62a_100000210063_200000139556 [0,0,0,1,0,1|2,0,0]=4 2681 B14R2.3492 CCC1(CO1)CSc2cccnc2 62a_200000139556_100000210063 [0,0,0,1,0,1|2,0,0]=4 2682 B14R2.3492 CCC1(CO1)CSc2ccncc2 62a_100000728582_200000139556 [0,0,0,1,0,1|2,0,0]=4 2683 B14R2.3492 CCC1(CO1)CSc2ccncc2 62a_200000139556_100000728582 [0,0,0,1,0,1|2,0,0]=4 2684 B14R2.6 c1ccc(cc1)CN2CCCOC2 2230a_100000131196_100015291786 [0,1,0,1,0,0|2,0,0]=4 2685 B14R2.6 c1ccc(cc1)CN2CCCOC2 269982a_100000131196_100000211182 [0,1,0,1,0,0|2,0,0]=4 2686 B14R2.6 c1ccc(cc1)CN2CCCOC2 270004a_100000131196_100015611070 [0,1,0,1,0,0|2,0,0]=4 2687 B14R2.6 c1ccc(cc1)CN2CCCOC2 34a_100000131196_100015291786 [0,1,0,1,0,0|2,0,0]=4 2688 B14R2.6 c1ccc(cc1)NC2CCCOC2 34a_100000106764_100000693364 [0,1,0,1,0,0|2,0,0]=4 2689 B14R2.6 c1ccc(cc1)OC2CCCOC2 34a_100000210340_100000693364 [0,1,0,1,0,0|2,0,0]=4 2690 B14R2.6 c1ccc(cc1)OC2CCCOC2 7a_100000210340_100000693364 [0,1,0,1,0,0|2,0,0]=4 2691 B14R2.6 c1ccc(cc1)SC2CCCOC2 62a_100000719477_100000693364 [0,1,0,1,0,0|2,0,0]=4 2692 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200000210301 [0,1,0,1,0,0|2,0,0]=4 2693 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200000210301 [0,1,0,1,0,0|2,0,0]=4 2694 B14R2.14 COC1COCC1c2ccccc2 34a_100010739164_200000210301 [0,1,0,1,0,0|0,0,0]=2 2695 B14R2.14 COC1COCC1c2ccccc2 7a_100010739164_200000210301 [0,1,0,1,0,0|0,0,0]=2 2696 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200025704644 [0,1,0,1,0,0|2,0,0]=4 2697 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200025704644 [0,1,0,1,0,0|2,0,0]=4 2698 B14R2.14 [13CH3]OC1COCC1c2ccccc2 34a_100010739164_200025704644 [0,1,0,1,0,0|0,0,0]=2 2699 B14R2.14 [13CH3]OC1COCC1c2ccccc2 7a_100010739164_200025704644 [0,1,0,1,0,0|0,0,0]=2 2700 B14R2.30 CN1CCCC1Cc2ccccc2 2230a_100159249835_200000210301 [0,1,0,1,0,0|2,0,0]=4 2701 B14R2.30 CN1CCCC1Cc2ccccc2 269982a_100159249835_200000210301 [0,1,0,1,0,0|2,0,0]=4 2702 B14R2.30 CN1CCCC1Cc2ccccc2 34a_100159249835_200000210301 [0,1,0,1,0,0|2,0,0]=4 2703 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 2230a_100159249835_200025704644 [0,1,0,1,0,0|2,0,0]=4 2704 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 269982a_100159249835_200025704644 [0,1,0,1,0,0|2,0,0]=4 2705 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 34a_100159249835_200025704644 [0,1,0,1,0,0|2,0,0]=4 2706 B14R2.35 COCN1CCC1c2ccccc2 2230a_100000739605_100000766300 [0,1,0,1,0,0|2,0,0]=4 2707 B14R2.35 COCN1CCC1c2ccccc2 269982a_100000739605_100000766300 [0,1,0,1,0,0|2,0,0]=4 2708 B14R2.44 CCOC1Cc2ccccc2C1O 34a_100121572206_100000211646 [0,1,0,1,0,0|2,0,0]=4 2709 B14R2.112 CCNC1CCc2ccccc2C1 2230a_100000748446_100000210202 [0,1,0,1,0,0|2,0,0]=4 2710 B14R2.112 CCNC1CCc2ccccc2C1 270004a_100015525214_100000212018 [0,1,0,1,0,0|2,0,0]=4 2711 B14R2.112 CCNC1CCc2ccccc2C1 34a_100000748446_100000210202 [0,1,0,1,0,0|2,0,0]=4 2712 B14R2.112 CCOC1CCc2ccccc2C1 34a_100011216300_100000210202 [0,1,0,1,0,0|1,0,0]=3 2713 B14R2.112 CCOC1CCc2ccccc2C1 7a_100011216300_100000210202 [0,1,0,1,0,0|1,0,0]=3 2714 B14R2.112 CCOC1Cc2ccccc2CO1 34a_200000095866_100000210202 [0,1,0,1,0,0|0,0,0]=2 2715 B14R2.112 COCC1CCc2ccccc2N1 34a_100012182721_200000210301 [0,1,0,1,0,0|2,0,0]=4 2716 B14R2.112 COCC1CCc2ccccc2O1 34a_100000068379_200000210301 [0,1,0,1,0,0|2,0,0]=4 2717 B14R2.112 COCC1CCc2ccccc2O1 7a_100000068379_200000210301 [0,1,0,1,0,0|2,0,0]=4 2718 B14R2.112 COCC1COc2ccccc2C1 34a_100011273996_200000210301 [0,1,0,1,0,0|2,0,0]=4 2719 B14R2.112 COCN1CCc2ccccc2C1 2230a_100000188457_100000766300 [0,1,0,1,0,0|2,0,0]=4 2720 B14R2.112 COCN1CCc2ccccc2C1 269982a_100000188457_100000766300 [0,1,0,1,0,0|2,0,0]=4 2721 B14R2.112 COC[C@@H]1Cc2ccccc2CN1 34a_100011416757_200000210301 [0,1,0,1,0,0|1,0,0]=3 2722 B14R2.112 FCNC1CCc2ccccc2C1 34a_100000748446_100015361967 [0,1,0,1,0,0|2,0,0]=4 2723 B14R2.112 FCOC1CCc2ccccc2C1 34a_100011216300_100015361967 [0,1,0,1,0,0|1,0,0]=3 2724 B14R2.112 FCOC1CCc2ccccc2C1 7a_100011216300_100015361967 [0,1,0,1,0,0|1,0,0]=3 2725 B14R2.112 FCOC1Cc2ccccc2CO1 34a_200000095866_100015361967 [0,1,0,1,0,0|0,0,0]=2 2726 B14R2.112 [13CH3]OCC1CCc2ccccc2N1 34a_100012182721_200025704644 [0,1,0,1,0,0|2,0,0]=4 2727 B14R2.112 [13CH3]OCC1CCc2ccccc2O1 34a_100000068379_200025704644 [0,1,0,1,0,0|2,0,0]=4 2728 B14R2.112 [13CH3]OCC1CCc2ccccc2O1 7a_100000068379_200025704644 [0,1,0,1,0,0|2,0,0]=4 2729 B14R2.112 [13CH3]OCC1COc2ccccc2C1 34a_100011273996_200025704644 [0,1,0,1,0,0|2,0,0]=4 2730 B14R2.112 [13CH3]OC[C@@H]1Cc2ccccc2CN1 34a_100011416757_200025704644 [0,1,0,1,0,0|1,0,0]=3 2731 B14R2.1129 CCC1Cc2ccccc2C1NC 269862a_106832991636_100011215617 [0,1,0,1,0,0|2,0,0]=4 2732 B14R2.1129 CO[C@@H]1Cc2ccccc2[C@@H]1OC 34a_200016238473_200000210301 [0,1,0,1,0,0|0,0,0]=2 2733 B14R2.1129 CO[C@@H]1Cc2ccccc2[C@@H]1OC 7a_200016238473_200000210301 [0,1,0,1,0,0|0,0,0]=2 2734 B14R2.1129 CO[C@H]1c2ccccc2C[C@H]1O[13CH3] 34a_200016238473_200025704644 [0,1,0,1,0,0|0,0,0]=2 2735 B14R2.1129 CO[C@H]1c2ccccc2C[C@H]1O[13CH3] 7a_200016238473_200025704644 [0,1,0,1,0,0|0,0,0]=2 2736 B14R2.2332 CNC1CCc2cc(ccc2C1)Br 270004a_106832991635_100000753102 [0,1,0,1,0,0|2,0,0]=4 2737 B14R2.2332 CNC1CCc2cc(ccc2C1)Cl 270004a_106832991635_100000067585 [0,1,0,1,0,0|2,0,0]=4 2738 B14R2.2332 CNC1CCc2cc(ccc2C1)F 270004a_106832991635_100000067110 [0,1,0,1,0,0|2,0,0]=4 2739 B14R2.2332 CNC1CCc2cc(ccc2C1)O 270004a_106832991635_100009852394 [0,1,0,1,0,0|2,0,0]=4 2740 B14R2.2332 COC1CCc2cc(ccc2C1)F 34a_100000081312_200000210301 [0,1,0,1,0,0|1,0,0]=3 2741 B14R2.2332 COC1CCc2cc(ccc2C1)F 7a_100000081312_200000210301 [0,1,0,1,0,0|1,0,0]=3 2742 B14R2.2332 [13CH3]OC1CCc2cc(ccc2C1)F 34a_100000081312_200025704644 [0,1,0,1,0,0|1,0,0]=3 2743 B14R2.2332 [13CH3]OC1CCc2cc(ccc2C1)F 7a_100000081312_200025704644 [0,1,0,1,0,0|1,0,0]=3 2744 B14R2.134 CNC1CCc2ccc(cc2C1)Br 270004a_106832991635_100010138410 [0,1,0,1,0,0|2,0,0]=4 2745 B14R2.134 CNC1CCc2ccc(cc2C1)Cl 270004a_106832991635_100000117158 [0,1,0,1,0,0|2,0,0]=4 2746 B14R2.134 CNC1CCc2ccc(cc2C1)O 270004a_106832991635_200000081095 [0,1,0,1,0,0|2,0,0]=4 2747 B14R2.134 CN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_200000210301 [0,1,0,1,0,0|2,0,0]=4 2748 B14R2.134 CN[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_200000210301 [0,1,0,1,0,0|2,0,0]=4 2749 B14R2.134 [13CH3]N[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_200025704644 [0,1,0,1,0,0|2,0,0]=4 2750 B14R2.134 [13CH3]N[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_200025704644 [0,1,0,1,0,0|2,0,0]=4 2751 B14R2.1801 CNC1CCc2c(cccc2C1)Br 270004a_106832991635_100010138409 [0,1,0,1,0,0|2,0,0]=4 2752 B14R2.142 CNC1CCc2cccc(c2C1)Br 270004a_106832991635_100010006498 [0,1,0,1,0,0|2,0,0]=4 2753 B14R2.142 COC1CCc2cccc(c2C1)N 34a_200000100485_200000210301 [0,1,0,1,0,0|1,0,0]=3 2754 B14R2.142 [13CH3]OC1CCc2cccc(c2C1)N 34a_200000100485_200025704644 [0,1,0,1,0,0|1,0,0]=3 2755 B14R2.781 CC(=O)C1CCc2ccccc2C1 1458a_100011217706_200000210301 [0,1,0,1,0,0|2,0,0]=4 2756 B14R2.781 CC(=O)C1Cc2ccccc2CO1 1458a_100009880028_200000210301 [0,1,0,1,0,0|1,0,0]=3 2757 B14R2.781 CN(C)C1CCc2ccccc2C1 270004a_100102631434_100000212018 [0,1,0,1,0,0|2,0,0]=4 2758 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2C1 1458a_100011217706_200025704644 [0,1,0,1,0,0|2,0,0]=4 2759 B14R2.781 [13CH3]C(=O)C1Cc2ccccc2CO1 1458a_100009880028_200025704644 [0,1,0,1,0,0|1,0,0]=3 2760 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,0,0,0,1,0|2,0,0]=4 2761 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,0,0,0,1,0|2,0,0]=4 2762 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,0,0,0,1,0|2,0,0]=4 2763 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,1,0|0,1,0]=3 2764 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,1,0|0,1,0]=3 2765 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,0,0,1,0|2,0,0]=4 2766 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,0,0,1,0|2,0,0]=4 2767 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,0,0,1,0|2,0,0]=4 2768 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,0,0,1,0|2,0,0]=4 2769 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,0,0,1,0|2,0,0]=4 2770 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,0,0,1,0|2,0,0]=4 2771 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,0,0,1,0|2,0,0]=4 2772 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,0,0,1,0|2,0,0]=4 2773 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,0,0,1,0|2,0,0]=4 2774 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,1,0|1,0,0]=3 2775 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,1,0|1,0,0]=3 2776 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,1,0|1,0,0]=3 2777 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,1,0|1,0,0]=3 2778 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,0,0,0,1,0|2,0,0]=4 2779 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,0,0,0,1,0|2,0,0]=4 2780 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,0,0,0,1,0|2,0,0]=4 2781 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,0,0,0,1,0|2,0,0]=4 2782 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,0,0,0,1,0|2,0,0]=4 2783 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,0,0,0,1,0|2,0,0]=4 2784 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,1,0|1,0,0]=3 2785 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,1,0|0,0,0]=2 2786 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,1,0|0,0,0]=2 2787 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,1,0|0,0,0]=2 2788 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,1,0|0,1,0]=3 2789 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,1,0|0,1,0]=3 2790 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,1,0|1,0,0]=3 2791 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,1,0|0,0,0]=2 2792 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,1,0|0,0,0]=2 2793 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [1,0,0,0,1,0|1,0,0]=3 2794 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [1,0,0,0,1,0|1,0,0]=3 2795 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [1,0,0,0,1,0|2,0,0]=4 2796 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [1,0,0,0,1,0|2,0,0]=4 2797 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [1,0,0,0,1,0|2,0,0]=4 2798 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [1,0,0,0,1,0|2,0,0]=4 2799 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [1,0,0,0,1,0|2,0,0]=4 2800 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [1,0,0,0,1,0|2,0,0]=4 2801 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [1,0,0,0,1,0|2,0,0]=4 2802 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [1,0,0,0,1,0|1,0,0]=3 2803 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [1,0,0,0,1,0|1,0,0]=3 2804 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [1,0,0,0,1,0|2,0,0]=4 2805 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [1,0,0,0,1,0|2,0,0]=4 2806 B10R1.27 COC(C)Sc1cccs1 62a_100009879195_100011215356 [1,0,0,0,1,0|2,0,0]=4 2807 B10R1.27 COC(C)Sc1cccs1 62a_100011215356_100009879195 [1,0,0,0,1,0|2,0,0]=4 2808 B10R1.27 COC(C)Sc1ccoc1 62a_100009879195_100011215275 [1,0,0,0,1,0|2,0,0]=4 2809 B10R1.27 COC(C)Sc1ccoc1 62a_100011215275_100009879195 [1,0,0,0,1,0|2,0,0]=4 2810 B10R1.27 COC(C)Sc1ccsc1 62a_100000738268_100009879195 [1,0,0,0,1,0|2,0,0]=4 2811 B10R1.27 COC(C)Sc1ccsc1 62a_100009879195_100000738268 [1,0,0,0,1,0|2,0,0]=4 2812 B12R0.552 C=CCC(C=C)OCC(OC)OC 34a_100000038011_100000211822 [0,0,1,0,0,1|0,0,2]=4 2813 B12R0.552 C=CCC(C=C)OCC(OC)OC 7a_100000038011_100000751394 [0,0,1,0,0,1|0,0,2]=4 2814 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [1,0,0,0,0,1|1,0,1]=4 2815 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [1,0,0,0,0,1|1,0,1]=4 2816 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [1,0,0,0,0,1|1,0,1]=4 2817 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [1,0,0,0,0,1|1,0,1]=4 2818 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [1,0,0,0,0,1|1,0,1]=4 2819 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [1,0,0,0,0,1|1,0,1]=4 2820 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [1,0,0,0,0,1|1,0,1]=4 2821 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [1,0,0,0,0,1|1,0,1]=4 2822 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [1,0,0,0,0,1|1,0,1]=4 2823 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [1,0,0,0,0,1|1,0,1]=4 2824 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [1,0,0,0,0,1|1,0,1]=4 2825 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [1,0,0,0,0,1|1,0,1]=4 2826 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [1,0,0,0,0,1|1,0,1]=4 2827 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [1,0,0,0,0,1|1,0,1]=4 2828 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [1,0,0,0,0,1|1,0,1]=4 2829 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [1,0,0,0,0,1|0,0,1]=3 2830 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [1,0,0,0,0,1|0,0,1]=3 2831 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [1,0,0,0,0,1|2,0,0]=4 2832 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [1,0,0,0,0,1|2,0,0]=4 2833 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [1,0,0,0,0,1|2,0,0]=4 2834 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [1,0,0,0,0,1|2,0,0]=4 2835 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [1,0,0,0,0,1|2,0,0]=4 2836 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [1,0,0,0,0,1|2,0,0]=4 2837 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [1,0,0,0,0,1|1,0,0]=3 2838 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [1,0,0,0,0,1|1,0,0]=3 2839 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [1,0,0,0,0,1|2,0,0]=4 2840 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [1,0,0,0,0,1|2,0,0]=4 2841 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [1,0,0,0,0,1|2,0,0]=4 2842 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [1,0,0,0,0,1|2,0,0]=4 2843 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [1,0,0,0,0,1|2,0,0]=4 2844 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [1,0,0,0,0,1|2,0,0]=4 2845 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [1,0,0,0,0,1|2,0,0]=4 2846 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [1,0,0,0,0,1|2,0,0]=4 2847 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [1,0,0,0,0,1|1,0,0]=3 2848 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [1,0,0,0,0,1|1,0,0]=3 2849 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [1,0,0,0,0,1|0,0,0]=2 2850 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [1,0,0,0,0,1|0,0,0]=2 2851 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [1,0,0,0,0,1|1,0,0]=3 2852 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [1,0,0,0,0,1|1,0,0]=3 2853 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [1,0,0,0,0,1|1,0,0]=3 2854 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [1,0,0,0,0,1|2,0,0]=4 2855 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [1,0,0,0,0,1|2,0,0]=4 2856 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [1,0,0,0,0,1|2,0,0]=4 2857 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [1,0,0,0,0,1|1,0,0]=3 2858 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [1,0,0,0,0,1|1,0,0]=3 2859 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [1,0,0,0,0,1|2,0,0]=4 2860 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [1,0,0,0,0,1|2,0,0]=4 2861 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [1,0,0,0,0,1|2,0,0]=4 2862 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [1,0,0,0,0,1|2,0,0]=4 2863 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [1,0,0,0,0,1|2,0,0]=4 2864 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [1,0,0,0,0,1|2,0,0]=4 2865 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [1,0,0,0,0,1|1,0,0]=3 2866 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [1,0,0,0,0,1|1,0,0]=3 2867 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [1,0,0,0,0,1|1,0,0]=3 2868 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [1,0,0,0,0,1|1,0,0]=3 2869 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [1,0,0,0,0,1|1,0,0]=3 2870 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [1,0,0,0,0,1|2,0,0]=4 2871 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [1,0,0,0,0,1|2,0,0]=4 2872 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [1,0,0,0,0,1|2,0,0]=4 2873 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [1,0,0,0,0,1|2,0,0]=4 2874 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [1,0,0,0,0,1|2,0,0]=4 2875 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [1,0,0,0,0,1|2,0,0]=4 2876 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [1,0,0,0,0,1|2,0,0]=4 2877 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [1,0,0,0,0,1|2,0,0]=4 2878 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [1,0,0,0,0,1|1,0,0]=3 2879 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [1,0,0,0,0,1|1,0,0]=3 2880 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [1,0,0,0,0,1|1,0,0]=3 2881 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [1,0,0,0,0,1|2,0,0]=4 2882 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [1,0,0,0,0,1|2,0,0]=4 2883 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [1,0,0,0,0,1|2,0,0]=4 2884 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [1,0,0,0,0,1|1,0,0]=3 2885 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [1,0,0,0,0,1|1,0,0]=3 2886 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [1,0,0,0,0,1|2,0,0]=4 2887 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [1,0,0,0,0,1|2,0,0]=4 2888 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [1,0,0,0,0,1|2,0,0]=4 2889 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [1,0,0,0,0,1|2,0,0]=4 2890 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [1,0,0,0,0,1|2,0,0]=4 2891 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [1,0,0,0,0,1|2,0,0]=4 2892 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [1,0,0,0,0,1|1,0,0]=3 2893 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [1,0,0,0,0,1|1,0,0]=3 2894 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [1,0,0,0,0,1|1,0,0]=3 2895 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [1,0,0,0,0,1|2,0,0]=4 2896 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [1,0,0,0,0,1|2,0,0]=4 2897 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [1,0,0,0,0,1|2,0,0]=4 2898 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [1,0,0,0,0,1|1,0,0]=3 2899 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [1,0,0,0,0,1|1,0,0]=3 2900 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [1,0,0,0,0,1|2,0,0]=4 2901 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [1,0,0,0,0,1|2,0,0]=4 2902 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [1,0,0,0,0,1|2,0,0]=4 2903 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [1,0,0,0,0,1|2,0,0]=4 2904 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [1,0,0,0,0,1|2,0,0]=4 2905 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [1,0,0,0,0,1|2,0,0]=4 2906 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [1,0,0,0,0,1|2,0,0]=4 2907 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [1,0,0,0,0,1|2,0,0]=4 2908 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [1,0,0,0,0,1|2,0,0]=4 2909 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [1,0,0,0,0,1|2,0,0]=4 2910 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [1,0,0,0,0,1|2,0,0]=4 2911 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [1,0,0,0,0,1|2,0,0]=4 2912 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [1,0,0,0,0,1|2,0,0]=4 2913 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [1,0,0,0,0,1|2,0,0]=4 2914 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [1,0,0,0,0,1|2,0,0]=4 2915 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [1,0,0,0,0,1|2,0,0]=4 2916 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [1,0,0,0,0,1|1,0,0]=3 2917 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [1,0,0,0,0,1|1,0,0]=3 2918 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [1,0,0,0,0,1|1,0,0]=3 2919 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [1,0,0,0,0,1|2,0,0]=4 2920 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [1,0,0,0,0,1|2,0,0]=4 2921 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [1,0,0,0,0,1|2,0,0]=4 2922 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [1,0,0,0,0,1|1,0,0]=3 2923 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [1,0,0,0,0,1|1,0,0]=3 2924 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [1,0,0,0,0,1|2,0,0]=4 2925 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [1,0,0,0,0,1|2,0,0]=4 2926 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [1,0,0,0,0,1|2,0,0]=4 2927 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [1,0,0,0,0,1|2,0,0]=4 2928 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [1,0,0,0,0,1|2,0,0]=4 2929 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [1,0,0,0,0,1|2,0,0]=4 2930 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [1,0,0,0,0,1|1,0,0]=3 2931 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [1,0,0,0,0,1|1,0,0]=3 2932 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [1,0,0,0,0,1|1,0,0]=3 2933 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [1,0,0,0,0,1|1,0,0]=3 2934 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [1,0,0,0,0,1|1,0,0]=3 2935 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [1,0,0,0,0,1|1,0,0]=3 2936 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [1,0,0,0,0,1|1,0,0]=3 2937 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [1,0,0,0,0,1|0,0,2]=4 2938 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [1,0,0,0,0,1|0,0,2]=4 2939 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [1,0,0,0,0,1|0,0,2]=4 2940 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [1,0,0,0,0,1|0,0,2]=4 2941 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [1,0,0,0,0,1|0,0,2]=4 2942 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [1,0,0,0,0,1|0,0,1]=3 2943 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [1,0,0,0,0,1|0,0,1]=3 2944 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [1,0,0,0,0,1|0,0,0]=2 2945 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [1,0,0,0,0,1|0,0,0]=2 2946 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [1,0,0,0,0,1|0,0,0]=2 2947 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [1,0,0,0,0,1|0,0,0]=2 2948 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [1,0,0,0,0,1|1,0,0]=3 2949 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [1,0,0,0,0,1|1,0,0]=3 2950 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [1,0,0,0,0,1|1,0,0]=3 2951 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [1,0,0,0,0,1|1,0,0]=3 2952 B12R1.27 COC(C)SCc1cccnn1 62a_100009879195_100016990269 [1,0,0,0,0,1|2,0,0]=4 2953 B12R1.27 COC(C)SCc1cccnn1 62a_100016990269_100009879195 [1,0,0,0,0,1|2,0,0]=4 2954 B12R1.27 COC(C)SCc1ccncc1 62a_100009879195_100015193705 [1,0,0,0,0,1|1,0,0]=3 2955 B12R1.27 COC(C)SCc1ccncc1 62a_100015193705_100009879195 [1,0,0,0,0,1|1,0,0]=3 2956 B12R1.27 COC(C)SCc1cnccn1 62a_100009879195_100016995436 [1,0,0,0,0,1|2,0,0]=4 2957 B12R1.27 COC(C)SCc1cnccn1 62a_100016995436_100009879195 [1,0,0,0,0,1|2,0,0]=4 2958 B12R1.27 COC(C)SCc1cncnc1 62a_100009879195_100015196519 [1,0,0,0,0,1|2,0,0]=4 2959 B12R1.27 COC(C)SCc1cncnc1 62a_100015196519_100009879195 [1,0,0,0,0,1|2,0,0]=4 2960 B12R1.27 COC(C)SCc1ncccn1 62a_100000703007_100009879195 [1,0,0,0,0,1|2,0,0]=4 2961 B12R1.27 COC(C)SCc1ncccn1 62a_100009879195_100000703007 [1,0,0,0,0,1|2,0,0]=4 2962 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [1,0,0,0,0,1|0,0,0]=2 2963 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [1,0,0,0,0,1|0,0,0]=2 2964 B12R1.27 CO[C@H](C)CNc1cccnn1 27a_100020591295_100016991348 [1,0,0,0,0,1|2,0,0]=4 2965 B12R1.27 CO[C@H](C)CNc1ccncn1 27a_100020591295_100000703185 [1,0,0,0,0,1|2,0,0]=4 2966 B12R1.27 CO[C@H](C)CNc1cnccn1 27a_100020591295_100000211759 [1,0,0,0,0,1|2,0,0]=4 2967 B12R1.27 CO[C@H](C)CNc1ncccn1 27a_100020591295_100000211032 [1,0,0,0,0,1|2,0,0]=4 2968 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [1,0,0,0,0,1|0,0,0]=2 2969 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [1,0,0,0,0,1|0,0,0]=2 2970 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [1,0,0,0,0,1|2,0,0]=4 2971 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [1,0,0,0,0,1|2,0,0]=4 2972 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [1,0,0,0,0,1|2,0,0]=4 2973 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [1,0,0,0,0,1|2,0,0]=4 2974 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [1,0,0,0,0,1|2,0,0]=4 2975 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [1,0,0,0,0,1|2,0,0]=4 2976 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [1,0,0,0,0,1|2,0,0]=4 2977 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [1,0,0,0,0,1|2,0,0]=4 2978 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [1,0,0,0,0,1|2,0,0]=4 2979 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [1,0,0,0,0,1|2,0,0]=4 2980 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [1,0,0,0,0,1|2,0,0]=4 2981 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [1,0,0,0,0,1|2,0,0]=4 2982 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [1,0,0,0,0,1|2,0,0]=4 2983 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [1,0,0,0,0,1|2,0,0]=4 2984 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [1,0,0,0,0,1|2,0,0]=4 2985 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [1,0,0,0,0,1|2,0,0]=4 2986 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [1,0,0,0,0,1|2,0,0]=4 2987 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [1,0,0,0,0,1|2,0,0]=4 2988 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [1,0,0,0,0,1|2,0,0]=4 2989 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [1,0,0,0,0,1|2,0,0]=4 2990 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [1,0,0,0,0,1|2,0,0]=4 2991 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [1,0,0,0,0,1|2,0,0]=4 2992 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [1,0,0,0,0,1|2,0,0]=4 2993 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [1,0,0,0,0,1|2,0,0]=4 2994 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [1,0,0,0,0,1|2,0,0]=4 2995 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [1,0,0,0,0,1|2,0,0]=4 2996 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [1,0,0,0,0,1|2,0,0]=4 2997 B14R1.546 CCC(CC)CNCc1ccccc1 207a_100102946423_100015611070 [0,0,0,0,0,2|2,0,0]=4 2998 B14R1.546 CCC(CC)CNCc1ccccc1 2230a_100015324214_100011215472 [0,0,0,0,0,2|2,0,0]=4 2999 B14R1.546 CCC(CC)CNCc1ccccc1 2230a_100102946423_100015291786 [0,0,0,0,0,2|2,0,0]=4 3000 B14R1.546 CCC(CC)CNCc1ccccc1 269862a_100015324214_100000211137 [0,0,0,0,0,2|2,0,0]=4 3001 B14R1.546 CCC(CC)CNCc1ccccc1 270004a_100015324214_100000211137 [0,0,0,0,0,2|2,0,0]=4 3002 B14R1.546 CCC(CC)CNCc1ccccc1 270004a_100102946423_100015611070 [0,0,0,0,0,2|2,0,0]=4 3003 B14R1.546 CCC(CC)CNCc1ccccc1 34a_100015324214_100011215472 [0,0,0,0,0,2|2,0,0]=4 3004 B14R1.546 CCC(CC)COCc1ccccc1 34a_100000210790_100011215472 [0,0,0,0,0,2|2,0,0]=4 3005 B14R1.546 CCC(CC)COCc1ccccc1 7a_100000210790_100011215472 [0,0,0,0,0,2|2,0,0]=4 3006 B14R1.546 CCC(CC)COCc1ccccc1 7a_100000703878_100000211182 [0,0,0,0,0,2|2,0,0]=4 3007 B14R1.546 CCC(CC)CSCc1ccccc1 62a_100000211182_100011215472 [0,0,0,0,0,2|2,0,0]=4 3008 B14R1.546 CCC(CC)CSCc1ccccc1 62a_100011215472_100015291786 [0,0,0,0,0,2|2,0,0]=4 3009 B14R1.546 CCC(CC)NCCc1ccccc1 2230a_100000199018_100000765856 [0,0,0,0,0,2|2,0,0]=4 3010 B14R1.546 CCC(CC)NCCc1ccccc1 270004a_100000106460_100000210860 [0,0,0,0,0,2|2,0,0]=4 3011 B14R1.546 CCC(CC)NCSc1ccccc1 2230a_100000199018_100011218342 [0,0,0,0,0,2|2,0,0]=4 3012 B14R1.546 CCC(CC)OCCc1ccccc1 7a_100000210268_100000210505 [0,0,0,0,0,2|2,0,0]=4 3013 B14R1.546 CCC(CC)OCCc1ccccc1 7a_100000688536_100000765856 [0,0,0,0,0,2|2,0,0]=4 3014 B14R1.546 CCC(CC)SCCc1ccccc1 62a_100000210505_100011218657 [0,0,0,0,0,2|2,0,0]=4 3015 B14R1.546 CCC(CC)SCCc1ccccc1 62a_100000765856_100000210505 [0,0,0,0,0,2|2,0,0]=4 3016 B14R1.546 CCC(CC)SCSc1ccccc1 62a_100000210505_100011218342 [0,0,0,0,0,2|2,0,0]=4 3017 B14R1.546 CCC(CC)SCSc1ccccc1 62a_100011218342_100000210505 [0,0,0,0,0,2|2,0,0]=4 3018 B14R1.546 CCC(CNCc1ccccc1)OC 207a_100000731041_100015611070 [0,0,0,0,0,2|1,0,0]=3 3019 B14R1.546 CCC(CNCc1ccccc1)OC 270004a_100000731041_100015611070 [0,0,0,0,0,2|1,0,0]=3 3020 B14R1.546 CCC(CNCc1ccccn1)OC 207a_100000731041_100000209966 [0,0,0,0,0,2|2,0,0]=4 3021 B14R1.546 CCC(CNCc1ccccn1)OC 270004a_100000731041_100000209966 [0,0,0,0,0,2|2,0,0]=4 3022 B14R1.546 CCC(CNCc1cccnc1)OC 207a_100000731041_100000209961 [0,0,0,0,0,2|2,0,0]=4 3023 B14R1.546 CCC(CNCc1cccnc1)OC 270004a_100000731041_100000209961 [0,0,0,0,0,2|2,0,0]=4 3024 B14R1.546 CCC(CNCc1ccncc1)OC 207a_100000731041_100000186114 [0,0,0,0,0,2|2,0,0]=4 3025 B14R1.546 CCC(COCc1ccccc1)NC 270004a_106832991635_100011595450 [0,0,0,0,0,2|2,0,0]=4 3026 B14R1.546 CCC(COCc1ccccc1)OC 34a_100011934954_100015291786 [0,0,0,0,0,2|1,0,0]=3 3027 B14R1.546 CCC(COCc1ccccc1)OC 7a_100011934954_100000211182 [0,0,0,0,0,2|1,0,0]=3 3028 B14R1.546 CCC(COCc1ccccn1)OC 34a_100011934954_100000721315 [0,0,0,0,0,2|2,0,0]=4 3029 B14R1.546 CCC(COCc1ccccn1)OC 7a_100011934954_100000721315 [0,0,0,0,0,2|2,0,0]=4 3030 B14R1.546 CCC(COCc1cccnc1)OC 34a_100011934954_100000733263 [0,0,0,0,0,2|2,0,0]=4 3031 B14R1.546 CCC(COCc1cccnc1)OC 7a_100011934954_100000741622 [0,0,0,0,0,2|2,0,0]=4 3032 B14R1.546 CCC(COCc1ccncc1)OC 7a_100011934954_100015193705 [0,0,0,0,0,2|2,0,0]=4 3033 B14R1.546 COC(C=NNc1ccccc1)OC 4a_100015195140_100000752162 [0,0,0,0,0,2|0,0,1]=3 3034 B14R1.546 COC(C=NNc1ccccn1)OC 4a_100000183288_100000752162 [0,0,0,0,0,2|1,0,1]=4 3035 B14R1.546 COC(C=NNc1cccnc1)OC 4a_100000728903_100000752162 [0,0,0,0,0,2|1,0,1]=4 3036 B14R1.546 COC(C=NNc1ccncc1)OC 4a_100000698918_100000752162 [0,0,0,0,0,2|1,0,1]=4 3037 B14R1.546 COC(CCNc1ccccc1)OC 34a_100000106764_100000139399 [0,0,0,0,0,2|0,0,0]=2 3038 B14R1.546 COC(CCOc1ccccc1)OC 34a_100000210340_100000139399 [0,0,0,0,0,2|0,0,0]=2 3039 B14R1.546 COC(CCOc1ccccc1)OC 7a_100000210340_100009813347 [0,0,0,0,0,2|0,0,0]=2 3040 B14R1.546 COC(CCOc1cccnc1)OC 34a_100000210849_100000139399 [0,0,0,0,0,2|1,0,0]=3 3041 B14R1.546 COC(CCOc1cccnc1)OC 7a_100000210849_100009813347 [0,0,0,0,0,2|1,0,0]=3 3042 B14R1.546 COC(CCOc1ccncc1)OC 34a_100000212176_100000139399 [0,0,0,0,0,2|1,0,0]=3 3043 B14R1.546 COC(CCOc1ccnnc1)OC 34a_100015204005_100000139399 [0,0,0,0,0,2|2,0,0]=4 3044 B14R1.546 COC(CCOc1cncnc1)OC 7a_100000754086_100009813347 [0,0,0,0,0,2|2,0,0]=4 3045 B14R1.546 COC(CCSc1ccccc1)OC 62a_100000139399_100000041952 [0,0,0,0,0,2|0,0,0]=2 3046 B14R1.546 COC(CCSc1ccccc1)OC 62a_100000719477_100000139399 [0,0,0,0,0,2|0,0,0]=2 3047 B14R1.546 COC(CCSc1ccccn1)OC 62a_100000139399_100011216584 [0,0,0,0,0,2|1,0,0]=3 3048 B14R1.546 COC(CCSc1ccccn1)OC 62a_100011216584_100000139399 [0,0,0,0,0,2|1,0,0]=3 3049 B14R1.546 COC(CCSc1cccnc1)OC 62a_100000139399_100000210063 [0,0,0,0,0,2|1,0,0]=3 3050 B14R1.546 COC(CCSc1cccnc1)OC 62a_100000210063_100000139399 [0,0,0,0,0,2|1,0,0]=3 3051 B14R1.546 COC(CCSc1cccnn1)OC 62a_100000139399_100016991348 [0,0,0,0,0,2|2,0,0]=4 3052 B14R1.546 COC(CCSc1cccnn1)OC 62a_100016991348_100000139399 [0,0,0,0,0,2|2,0,0]=4 3053 B14R1.546 COC(CCSc1ccncc1)OC 62a_100000139399_100000728582 [0,0,0,0,0,2|1,0,0]=3 3054 B14R1.546 COC(CCSc1ccncc1)OC 62a_100000728582_100000139399 [0,0,0,0,0,2|1,0,0]=3 3055 B14R1.546 COC(CCSc1ccncn1)OC 62a_100000139399_100000703185 [0,0,0,0,0,2|2,0,0]=4 3056 B14R1.546 COC(CCSc1ccncn1)OC 62a_100000703185_100000139399 [0,0,0,0,0,2|2,0,0]=4 3057 B14R1.546 COC(CCSc1ccnnc1)OC 62a_100000139399_100000732662 [0,0,0,0,0,2|2,0,0]=4 3058 B14R1.546 COC(CCSc1ccnnc1)OC 62a_100000732662_100000139399 [0,0,0,0,0,2|2,0,0]=4 3059 B14R1.546 COC(CCSc1cnccn1)OC 62a_100000139399_100000211759 [0,0,0,0,0,2|2,0,0]=4 3060 B14R1.546 COC(CCSc1cnccn1)OC 62a_100000211759_100000139399 [0,0,0,0,0,2|2,0,0]=4 3061 B14R1.546 COC(CCSc1cncnc1)OC 62a_100000139399_100011206942 [0,0,0,0,0,2|2,0,0]=4 3062 B14R1.546 COC(CCSc1cncnc1)OC 62a_100011206942_100000139399 [0,0,0,0,0,2|2,0,0]=4 3063 B14R1.546 COC(CCSc1ncccn1)OC 62a_100000139399_100000211032 [0,0,0,0,0,2|2,0,0]=4 3064 B14R1.546 COC(CCSc1ncccn1)OC 62a_100000211032_100000139399 [0,0,0,0,0,2|2,0,0]=4 3065 B14R1.546 COC(CNCc1ccccc1)OC 207a_100000210479_100015611070 [0,0,0,0,0,2|0,0,0]=2 3066 B14R1.546 COC(CNCc1ccccc1)OC 2230a_100015324214_100000751394 [0,0,0,0,0,2|0,0,0]=2 3067 B14R1.546 COC(CNCc1ccccc1)OC 270004a_100000210479_100015611070 [0,0,0,0,0,2|0,0,0]=2 3068 B14R1.546 COC(CNCc1ccccc1)OC 270004a_100015324214_100000752162 [0,0,0,0,0,2|0,0,0]=2 3069 B14R1.546 COC(CNCc1ccccc1)OC 34a_100015324214_100000211822 [0,0,0,0,0,2|0,0,0]=2 3070 B14R1.546 COC(CNCc1ccccn1)OC 207a_100000210479_100000209966 [0,0,0,0,0,2|1,0,0]=3 3071 B14R1.546 COC(CNCc1ccccn1)OC 270004a_100000210449_100000752162 [0,0,0,0,0,2|1,0,0]=3 3072 B14R1.546 COC(CNCc1ccccn1)OC 270004a_100000210479_100000209966 [0,0,0,0,0,2|1,0,0]=3 3073 B14R1.546 COC(CNCc1cccnc1)OC 207a_100000210479_100000209961 [0,0,0,0,0,2|1,0,0]=3 3074 B14R1.546 COC(CNCc1cccnc1)OC 270004a_100000210453_100000752162 [0,0,0,0,0,2|1,0,0]=3 3075 B14R1.546 COC(CNCc1cccnc1)OC 270004a_100000210479_100000209961 [0,0,0,0,0,2|1,0,0]=3 3076 B14R1.546 COC(CNCc1cccnn1)OC 2230a_100159270163_100000751394 [0,0,0,0,0,2|2,0,0]=4 3077 B14R1.546 COC(CNCc1ccncc1)OC 207a_100000210479_100000186114 [0,0,0,0,0,2|1,0,0]=3 3078 B14R1.546 COC(CNCc1ccnnc1)OC 270004a_100000210479_100011934578 [0,0,0,0,0,2|2,0,0]=4 3079 B14R1.546 COC(CNCc1cnccn1)OC 270004a_100000210479_100000749867 [0,0,0,0,0,2|2,0,0]=4 3080 B14R1.546 COC(CNCc1cncnc1)OC 2230a_100011243677_100000751394 [0,0,0,0,0,2|2,0,0]=4 3081 B14R1.546 COC(CNCc1cncnc1)OC 270004a_100000210479_100000749868 [0,0,0,0,0,2|2,0,0]=4 3082 B14R1.546 COC(CNCc1cncnc1)OC 270004a_100011243677_100000752162 [0,0,0,0,0,2|2,0,0]=4 3083 B14R1.546 COC(CNCc1ncccn1)OC 270004a_100000210479_100011532527 [0,0,0,0,0,2|2,0,0]=4 3084 B14R1.546 COC(COCc1ccccc1)OC 34a_100000210790_100000211822 [0,0,0,0,0,2|0,0,0]=2 3085 B14R1.546 COC(COCc1ccccc1)OC 34a_100011216393_100015291786 [0,0,0,0,0,2|0,0,0]=2 3086 B14R1.546 COC(COCc1ccccc1)OC 7a_100000210790_100000751394 [0,0,0,0,0,2|0,0,0]=2 3087 B14R1.546 COC(COCc1ccccn1)OC 34a_100011216393_100000721315 [0,0,0,0,0,2|1,0,0]=3 3088 B14R1.546 COC(COCc1cccnc1)OC 34a_100011216393_100000733263 [0,0,0,0,0,2|1,0,0]=3 3089 B14R1.546 COC(COCc1cccnn1)OC 34a_100011216393_100016990269 [0,0,0,0,0,2|2,0,0]=4 3090 B14R1.546 COC(COCc1cnccn1)OC 34a_100011216393_100016995436 [0,0,0,0,0,2|2,0,0]=4 3091 B14R1.546 COC(COCc1cncnc1)OC 34a_100011216393_100015196519 [0,0,0,0,0,2|2,0,0]=4 3092 B14R1.546 COC(COCc1ncccn1)OC 34a_100011216393_100000703007 [0,0,0,0,0,2|2,0,0]=4 3093 B14R1.546 COC(CSCc1ccccc1)OC 62a_100000211182_100000751394 [0,0,0,0,0,2|0,0,0]=2 3094 B14R1.546 COC(CSCc1ccccc1)OC 62a_100000751394_100015291786 [0,0,0,0,0,2|0,0,0]=2 3095 B14R1.546 COC(CSCc1ccccn1)OC 62a_100000721315_100000751394 [0,0,0,0,0,2|1,0,0]=3 3096 B14R1.546 COC(CSCc1ccccn1)OC 62a_100000751394_100000721315 [0,0,0,0,0,2|1,0,0]=3 3097 B14R1.546 COC(CSCc1cccnc1)OC 62a_100000741622_100000751394 [0,0,0,0,0,2|1,0,0]=3 3098 B14R1.546 COC(CSCc1cccnc1)OC 62a_100000751394_100000741622 [0,0,0,0,0,2|1,0,0]=3 3099 B14R1.546 COC(CSCc1cccnn1)OC 62a_100000751394_100016990269 [0,0,0,0,0,2|2,0,0]=4 3100 B14R1.546 COC(CSCc1cccnn1)OC 62a_100016990269_100000751394 [0,0,0,0,0,2|2,0,0]=4 3101 B14R1.546 COC(CSCc1ccncc1)OC 62a_100000751394_100015193705 [0,0,0,0,0,2|1,0,0]=3 3102 B14R1.546 COC(CSCc1ccncc1)OC 62a_100015193705_100000751394 [0,0,0,0,0,2|1,0,0]=3 3103 B14R1.546 COC(CSCc1cnccn1)OC 62a_100000751394_100016995436 [0,0,0,0,0,2|2,0,0]=4 3104 B14R1.546 COC(CSCc1cnccn1)OC 62a_100016995436_100000751394 [0,0,0,0,0,2|2,0,0]=4 3105 B14R1.546 COC(CSCc1cncnc1)OC 62a_100000751394_100015196519 [0,0,0,0,0,2|2,0,0]=4 3106 B14R1.546 COC(CSCc1cncnc1)OC 62a_100015196519_100000751394 [0,0,0,0,0,2|2,0,0]=4 3107 B14R1.546 COC(CSCc1ncccn1)OC 62a_100000703007_100000751394 [0,0,0,0,0,2|2,0,0]=4 3108 B14R1.546 COC(CSCc1ncccn1)OC 62a_100000751394_100000703007 [0,0,0,0,0,2|2,0,0]=4