0 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,0,0,0|2,0,2]=4 3 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,0,0|1,0,0]=2 4 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 Oc1c[nH]c2c1cncn2 271570a_203496583355_100009817560 [1,0,0,0,0,0|2,0,0]=3 7 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 Oc1cnc2n1cccn2 271570a_203496583355_100011934454 [1,0,0,0,0,0|2,0,1]=4 9 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.1 Oc1csc2c1nccn2 271570a_203496583355_100010174841 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.1 Oc1n[nH]c2c1cncn2 271570a_203496583355_100009875510 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 Oc1n[nH]c2c1nccn2 271570a_203496583355_100009819591 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,0,0|2,0,1]=4 18 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,0,0|1,0,1]=3 19 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,0,0|1,0,2]=4 20 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.45 O=Cc1nc2ncccn2c1O 271570a_203496583355_200009817305 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,0,0,0|2,1,0]=4 24 B13R2.135 CSc1c([nH]c2c1cccn2)C 62a_200000210301_100010174266 [0,1,0,0,0,0|2,1,0]=4 25 B13R2.135 Cc1[nH]c2ncccc2c1S[13CH3] 62a_200025704644_100010174266 [0,1,0,0,0,0|2,1,0]=4 26 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,0,0,0|2,1,0]=4 27 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,0,0|2,0,1]=4 31 B13R2.3028 O=C1Nc2ncc(cc2C1=O)O 271570a_203496583355_100010174890 [0,1,0,0,0,0|1,0,1]=3 32 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.4856 Cc1[nH]c2nccc(c2c1C)O 271570a_203496583355_206744597382 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,1,0,0,0|3,0,0]=4 42 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,1,0,0,0|3,0,0]=4 43 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,1,0,0,0|3,0,0]=4 44 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,1,0,0,0|3,0,0]=4 45 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,1,0,0,0|3,0,0]=4 46 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,1,0,0,0|3,0,0]=4 49 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,1,0,0,0|3,0,0]=4 50 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,1,0,0,0|3,0,0]=4 51 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,1,0,0,0|3,0,0]=4 52 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,1,0,0,0|3,0,0]=4 53 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,1,0,0,0|3,0,0]=4 54 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,1,0,0,0|3,0,0]=4 55 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,1,0,0,0|3,0,0]=4 56 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,1,0,0,0|2,0,0]=3 57 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,1,0,0,0|3,0,0]=4 58 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,1,0,0,0|3,0,0]=4 59 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,1,0,0,0|3,0,0]=4 60 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,1,0,0,0|2,0,0]=3 61 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,0,1,0,0,0|3,0,0]=4 62 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,1,0,0,0|3,0,0]=4 63 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,0,1,0,0,0|2,0,0]=3 64 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,0,1,0,0,0|3,0,0]=4 65 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,0,1,0,0,0|3,0,0]=4 66 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,0,1,0,0,0|3,0,0]=4 67 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,1,0,0,0|2,0,0]=3 68 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,1,0,0,0|2,0,0]=3 69 B11R1.41 CC=Cc1ncccc1CO 271570a_100016259895_100000748726 [0,0,1,0,0,0|3,0,0]=4 70 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [0,0,1,0,0,0|3,0,0]=4 71 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [0,0,1,0,0,0|3,0,0]=4 72 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [0,0,1,0,0,0|3,0,0]=4 73 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [0,0,1,0,0,0|3,0,0]=4 74 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [0,0,1,0,0,0|3,0,0]=4 75 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [0,0,0,0,0,1|3,0,0]=4 76 B13R2.328 Cc1cc(c2cccnc2n1)O 271570a_203496583355_100009885123 [0,0,0,0,0,1|2,0,1]=4 77 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,0,0,1|2,0,0]=3 78 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,0,0,0,0,1|1,0,0]=2 79 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [0,0,0,0,0,1|3,0,0]=4 80 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,0,0,1|3,0,0]=4 81 B13R2.369 Oc1cc2cccnc2cc1F 271570a_203496583355_100009854028 [0,0,0,0,0,1|3,0,0]=4 82 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [0,0,0,0,0,1|2,0,1]=4 83 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,1,0,0,0|2,0,0]=4 84 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,1,0,0,0|2,0,0]=4 85 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,1,0,0,0|2,0,0]=4 86 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,1,0,0,0|2,0,0]=4 87 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,1,0,0,0|2,0,0]=4 88 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,1,0,0,0|2,0,0]=4 89 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,1,0,0,0|2,0,0]=4 90 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,1,0,0,0|2,0,0]=4 91 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,1,0,0,0|2,0,0]=4 92 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,1,0,0,0|2,0,0]=4 93 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,0,1,0,0,0|2,0,0]=4 94 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,0,1,0,0,0|2,0,0]=4 95 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,0,1,0,0,0|2,0,0]=4 96 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [1,0,1,0,0,0|2,0,0]=4 97 B10R1.20 C=Cc1ncccc1CO 271570a_100011290941_100000748726 [1,0,1,0,0,0|2,0,0]=4 98 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [1,0,1,0,0,0|2,0,0]=4 99 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [1,0,1,0,0,0|2,0,0]=4 100 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [1,0,1,0,0,0|2,0,0]=4 101 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [1,0,1,0,0,0|2,0,0]=4 102 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [1,0,1,0,0,0|2,0,0]=4 103 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,0,1,0,0,0|2,0,0]=4 104 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,1,0,0,0|2,0,0]=4 105 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,1,0,0,0|2,0,0]=4 106 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,1,0,0,0|2,0,0]=4 107 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,1,0,0,0|2,0,0]=4 108 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,1,0,0,0|2,0,0]=4 109 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,1,0,0,0|2,0,0]=4 110 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,1,1,0,0,0|2,0,0]=4 111 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,1,1,0,0,0|2,0,0]=4 112 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,1,1,0,0,0|2,0,0]=4 113 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,1,1,0,0,0|2,0,0]=4 114 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,1,1,0,0,0|2,0,0]=4 115 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,1,1,0,0,0|1,0,0]=3 116 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,1,1,0,0,0|1,0,0]=3 117 B12R1.32 CNCC(=O)Nc1ncccn1 7a_106832991635_100000183248 [0,1,1,0,0,0|2,0,0]=4 118 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,1,1,0,0,0|2,0,0]=4 119 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,1,1,0,0,0|2,0,0]=4 120 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,1,1,0,0,0|2,0,0]=4 121 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,1,1,0,0,0|2,0,0]=4 122 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,1,1,0,0,0|2,0,0]=4 123 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,1,1,0,0,0|2,0,0]=4 124 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,1,1,0,0,0|2,0,0]=4 125 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,1,1,0,0,0|2,0,0]=4 126 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,1,1,0,0,0|1,1,0]=4 127 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,1,1,0,0,0|1,1,0]=4 128 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,1,1,0,0,0|2,0,0]=4 129 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,1,1,0,0,0|2,0,0]=4 130 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,1,0,0,0|2,0,0]=4 131 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,1,1,0,0,0|2,0,0]=4 132 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,1,1,0,0,0|1,1,0]=4 133 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,1,1,0,0,0|1,1,0]=4 134 B12R1.43 CN(C)C(=O)Cc1ccccn1 11a_100102631434_100000233486 [0,1,1,0,0,0|2,0,0]=4 135 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,1,1,0,0,0|2,0,0]=4 136 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,1,1,0,0,0|2,0,0]=4 137 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,1,0,0,0|2,0,0]=4 138 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,1,1,0,0,0|2,0,0]=4 139 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,1,0,0,0|2,0,0]=4 140 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,1,0,0,0|2,0,0]=4 141 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,1,1,0,0,0|2,0,0]=4 142 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,1,0,0,0|2,0,0]=4 143 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,1,1,0,0,0|2,0,0]=4 144 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,1,1,0,0,0|2,0,0]=4 145 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,1,1,0,0,0|2,0,0]=4 146 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,1,1,0,0,0|2,0,0]=4 147 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,1,1,0,0,0|2,0,0]=4 148 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,1,1,0,0,0|2,0,0]=4 149 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,1,1,0,0,0|2,0,0]=4 150 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,1,1,0,0,0|2,0,0]=4 151 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,1,1,0,0,0|2,0,0]=4 152 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,1,0,0,0|2,0,0]=4 153 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,1,0,0,0|2,0,0]=4 154 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,1,0,0,0|2,0,0]=4 155 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,1,0,0,0|2,0,0]=4 156 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,1,0,0,0|2,0,0]=4 157 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,1,0,0,0|2,0,0]=4 158 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,1,0,0,0|2,0,0]=4 159 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,1,0,0,0|2,0,0]=4 160 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,1,0,0,0|2,0,0]=4 161 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,1,1,0,0,0|2,0,0]=4 162 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,1,1,0,0,0|2,0,0]=4 163 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,1,1,0,0,0|2,0,0]=4 164 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,1,1,0,0,0|2,0,0]=4 165 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,1,0,0,0|2,0,0]=4 166 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,1,0,0,0|2,0,0]=4 167 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,1,0,0,0|2,0,0]=4 168 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,1,0,0,0|2,0,0]=4 169 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,1,0,0,0|2,0,0]=4 170 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,1,0,0,0|2,0,0]=4 171 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,1,0,0,0|2,0,0]=4 172 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,1,0,0,0|2,0,0]=4 173 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,1,0,0,0|2,0,0]=4 174 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,1,1,0,0,0|2,0,0]=4 175 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,1,1,0,0,0|2,0,0]=4 176 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,1,1,0,0,0|2,0,0]=4 177 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,1,1,0,0,0|2,0,0]=4 178 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,1,1,0,0,0|2,0,0]=4 179 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,1,1,0,0,0|2,0,0]=4 180 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,1,1,0,0,0|2,0,0]=4 181 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,1,1,0,0,0|2,0,0]=4 182 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,1,1,0,0,0|2,0,0]=4 183 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,1,1,0,0,0|2,0,0]=4 184 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,1,1,0,0,0|2,0,0]=4 185 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,1,1,0,0,0|2,0,0]=4 186 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,1,1,0,0,0|2,0,0]=4 187 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,1,0,0,0|2,0,0]=4 188 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,1,0,0,0|2,0,0]=4 189 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,1,0,0,0|2,0,0]=4 190 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,1,0,0,0|2,0,0]=4 191 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,1,0,0,0|2,0,0]=4 192 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,1,0,0,0|2,0,0]=4 193 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,1,0,0,0|2,0,0]=4 194 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,1,0,0,0|2,0,0]=4 195 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,1,0,0,0|2,0,0]=4 196 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,1,0,0,0|2,0,0]=4 197 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,1,0,0,0|2,0,0]=4 198 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,1,0,0,0|2,0,0]=4 199 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,1,0,0,0|2,0,0]=4 200 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,1,1,0,0,0|2,0,0]=4 201 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,1,1,0,0,0|2,0,0]=4 202 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,1,1,0,0,0|2,0,0]=4 203 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,1,1,0,0,0|2,0,0]=4 204 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,1,1,0,0,0|2,0,0]=4 205 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,1,1,0,0,0|2,0,0]=4 206 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,1,1,0,0,0|2,0,0]=4 207 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,1,0,0,0|2,0,0]=4 208 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,1,0,0,0|2,0,0]=4 209 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,1,0,0,0|2,0,0]=4 210 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,1,0,0,0|2,0,0]=4 211 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,1,0,0,0|2,0,0]=4 212 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,1,0,0,0|2,0,0]=4 213 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,1,0,0,0|2,0,0]=4 214 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,1,0,0,0|2,0,0]=4 215 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,1,0,0,0|2,0,0]=4 216 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,1,1,0,0,0|2,0,0]=4 217 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,1,1,0,0,0|2,0,0]=4 218 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,1,0,0,0|2,0,0]=4 219 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,1,0,0,0|2,0,0]=4 220 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,1,0,0,0|2,0,0]=4 221 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,1,1,0,0,0|2,0,0]=4 222 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,1,1,0,0,0|2,0,0]=4 223 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,1,1,0,0,0|2,0,0]=4 224 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,1,0,0,0|2,0,0]=4 225 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,1,0,0,0|2,0,0]=4 226 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,1,0,0,0|2,0,0]=4 227 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,1,0,0,0|2,0,0]=4 228 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,1,0,0,0|2,0,0]=4 229 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,1,0,0,0|2,0,0]=4 230 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,1,0,0,0|2,0,0]=4 231 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,1,0,0,0|2,0,0]=4 232 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,1,1,0,0,0|2,0,0]=4 233 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,1,1,0,0,0|2,0,0]=4 234 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,1,1,0,0,0|2,0,0]=4 235 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,1,1,0,0,0|2,0,0]=4 236 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,1,1,0,0,0|2,0,0]=4 237 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,1,0,0,0|2,0,0]=4 238 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,1,0,0,0|2,0,0]=4 239 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,1,0,0,0|2,0,0]=4 240 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,1,0,0,0|2,0,0]=4 241 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,1,0,0,0|2,0,0]=4 242 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,1,0,0,0|2,0,0]=4 243 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,1,1,0,0,0|2,0,0]=4 244 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,1,1,0,0,0|2,0,0]=4 245 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,1,1,0,0,0|2,0,0]=4 246 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,1,1,0,0,0|2,0,0]=4 247 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,1,1,0,0,0|2,0,0]=4 248 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,1,1,0,0,0|2,0,0]=4 249 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,1,1,0,0,0|2,0,0]=4 250 B12R1.121 CNc1cccnc1SCC=O 62a_200015260668_200011806188 [0,1,1,0,0,0|2,0,0]=4 251 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,1,1,0,0,0|2,0,0]=4 252 B12R1.121 O=CCSc1ncccc1CO 62a_100000748726_200015260668 [0,1,1,0,0,0|2,0,0]=4 253 B12R1.121 O=CCSc1ncccc1CO 62a_200015260668_100000748726 [0,1,1,0,0,0|2,0,0]=4 254 B12R2.1 C=Cc1c[nH]c2c1cccn2 271570a_100011290941_100011934613 [1,1,0,0,0,0|2,0,0]=4 255 B12R2.1 CSc1c[nH]c2c1cccn2 62a_200000210301_100011934613 [1,1,0,0,0,0|1,1,0]=4 256 B12R2.1 [13CH3]Sc1c[nH]c2c1cccn2 62a_200025704644_100011934613 [1,1,0,0,0,0|1,1,0]=4 257 B12R2.132 Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010202333 [1,1,0,0,0,0|2,0,0]=4 258 B12R2.132 Cc1cnc2[nH]cc(c2c1)O 271570a_203496583355_100010246215 [1,1,0,0,0,0|1,0,0]=3 259 B12R2.132 Cn1ccc2c1cc(cn2)O 271570a_203496583355_100010761474 [1,1,0,0,0,0|2,0,0]=4 260 B12R2.132 Nc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010174843 [1,1,0,0,0,0|2,0,0]=4 261 B12R2.132 Nc1cnc2[nH]nc(c2c1)O 271570a_203496583355_100010174952 [1,1,0,0,0,0|2,0,0]=4 262 B12R2.132 Oc1c[nH]c2c1cc(cn2)F 271570a_203496583355_100010168383 [1,1,0,0,0,0|1,0,0]=3 263 B12R2.132 Oc1n[nH]c2c1cc(cn2)Br 271570a_203496583355_100010212350 [1,1,0,0,0,0|2,0,0]=4 264 B12R2.132 Oc1n[nH]c2c1cc(cn2)Cl 271570a_203496583355_100010289580 [1,1,0,0,0,0|2,0,0]=4 265 B12R2.132 Oc1n[nH]c2c1cc(cn2)F 271570a_203496583355_100010289577 [1,1,0,0,0,0|2,0,0]=4 266 B12R2.203 Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100009849662 [1,1,0,0,0,0|2,0,0]=4 267 B12R2.203 Nc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100010212589 [1,1,0,0,0,0|2,0,0]=4 268 B12R2.203 Nc1ncnc2c1c(c[nH]2)O 271570a_203496583355_100010179808 [1,1,0,0,0,0|2,0,0]=4 269 B12R2.203 O=c1[nH]cnc2c1c(c[nH]2)O 271570a_203496583355_100010220714 [1,1,0,0,0,0|2,0,0]=4 270 B12R2.203 Oc1c[nH]c2c1c(ccn2)Br 271570a_203496583355_100010212587 [1,1,0,0,0,0|1,0,0]=3 271 B12R2.203 Oc1c[nH]c2c1c(ccn2)F 271570a_203496583355_100010168365 [1,1,0,0,0,0|1,0,0]=3 272 B12R2.203 Oc1n[nH]c2c1c(ccn2)Cl 271570a_203496583355_100010090772 [1,1,0,0,0,0|2,0,0]=4 273 B12R2.612 Cn1cnc2c1ccc(n2)O 271570a_203496583355_100010385288 [1,1,0,0,0,0|1,0,1]=4 274 B12R2.2028 Cn1cc(c2c1nccc2)O 271570a_203496583355_100010205794 [1,1,0,0,0,0|1,0,0]=3 275 B12R2.2028 Cn1cc(c2c1ncnc2)O 271570a_203496583355_200011012545 [1,1,0,0,0,0|2,0,0]=4 276 B12R2.2028 Cn1nc(c2c1nccc2)O 271570a_203496583355_100010248644 [1,1,0,0,0,0|2,0,0]=4 277 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [1,1,0,0,0,0|2,0,0]=4 278 B12R2.32 CSc1cc2cccnc2[nH]1 62a_200000210301_100010079843 [1,1,0,0,0,0|1,1,0]=4 279 B12R2.32 [13CH3]Sc1cc2cccnc2[nH]1 62a_200025704644_100010079843 [1,1,0,0,0,0|1,1,0]=4 280 B12R2.202 Cc1cc2c(ccnc2[nH]1)O 271570a_203496583355_100010202352 [1,1,0,0,0,0|2,0,0]=4 281 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [1,1,0,0,0,0|2,0,0]=4 282 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [1,1,0,0,0,0|1,0,0]=3 283 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [1,1,0,0,0,0|2,0,0]=4 284 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,1,0,0,0,0|2,0,0]=4 285 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [1,1,0,0,0,0|0,0,0]=2 286 B12R2.202 Oc1cc2c(ccnc2[nH]1)Cl 271570a_203496583355_100010234028 [1,1,0,0,0,0|1,0,1]=4 287 B12R2.606 Cc1cc2cc(cnc2[nH]1)O 271570a_203496583355_100010202332 [1,1,0,0,0,0|2,0,0]=4 288 B12R2.606 Cc1cc2ncc(cc2[nH]1)O 271570a_203496583355_100010168555 [1,1,0,0,0,0|2,0,0]=4 289 B12R2.606 Cc1nc2ccc(nc2[nH]1)O 271570a_203496583355_100000079090 [1,1,0,0,0,0|1,0,1]=4 290 B12R2.606 Cc1nc2ncc(cc2[nH]1)O 271570a_203496583355_100000758206 [1,1,0,0,0,0|1,0,1]=4 291 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [1,1,0,0,0,0|2,0,0]=4 292 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [1,1,0,0,0,0|1,0,0]=3 293 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [1,1,0,0,0,0|2,0,0]=4 294 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [1,1,0,0,0,0|1,0,0]=3 295 B12R2.606 O=C1Cc2cnc(nc2N1)O 271570a_203496583355_100000086852 [1,1,0,0,0,0|2,0,0]=4 296 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [1,1,0,0,0,0|1,0,0]=3 297 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [1,1,0,0,0,0|1,0,0]=3 298 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [1,1,0,0,0,0|2,0,0]=4 299 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [1,1,0,0,0,0|2,0,0]=4 300 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [1,1,0,0,0,0|1,0,0]=3 301 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [1,1,0,0,0,0|2,0,0]=4 302 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [1,1,0,0,0,0|2,0,0]=4 303 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [1,1,0,0,0,0|0,0,0]=2 304 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [1,1,0,0,0,0|1,0,0]=3 305 B12R2.606 Oc1cnc2[nH]c(nc2c1)O 271570a_203496583355_100000755142 [1,1,0,0,0,0|0,0,2]=4 306 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccn2 271570a_100011290941_100010499609 [0,1,0,0,0,1|2,0,0]=4 307 B14R2.1146 CNc1cc(=O)[nH]c2c1cccn2 27a_100102657272_100010499609 [0,1,0,0,0,1|2,0,0]=4 308 B14R2.1146 CSc1cc(=O)[nH]c2c1cccn2 62a_200000210301_100010499609 [0,1,0,0,0,1|1,1,0]=4 309 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccn2 62a_200025704644_100010499609 [0,1,0,0,0,1|1,1,0]=4 310 B14R2.8045 O=c1cc(c2cccc(c2[nH]1)O)O 271570a_203496583355_200010201894 [0,1,0,0,0,1|2,0,0]=4 311 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,1,0,0,0,1|2,0,0]=4 312 B14R2.29365 O=c1[nH]c(=O)c2ccc(nc2[nH]1)O 271570a_203496583355_100000117996 [0,1,0,0,0,1|1,0,1]=4 313 B14R2.8239 CN1Cc2cc(ccc2NC1=O)O 271570a_203496583355_100000188780 [0,1,0,0,0,1|2,0,0]=4 314 B14R2.8239 O=c1[nH]c2cc(cnc2[nH]c1=O)O 271570a_203496583355_100009812773 [0,1,0,0,0,1|1,0,1]=4 315 B14R2.28472 CN1Cc2c(cccc2NC1=O)O 271570a_203496583355_200010992586 [0,1,0,0,0,1|2,0,0]=4 316 B14R2.17474 CC1(C(=O)Nc2c1cccc2)O[13CH3] 34a_100000695988_200025704644 [0,2,0,0,0,0|2,0,0]=4 317 B14R2.17474 COC1(C(=O)Nc2c1cccc2)C 34a_100000695988_200000210301 [0,2,0,0,0,0|2,0,0]=4 318 B14R2.3274 C=Cc1ccc2[nH]c(=O)n(c2c1)C 271570a_100011290941_100010393459 [0,2,0,0,0,0|2,0,0]=4 319 B14R2.3274 C=Cc1cnc2c(c1)C(=O)C(=O)N2 271570a_100011290941_100010174890 [0,2,0,0,0,0|1,0,1]=4 320 B14R2.3274 CSc1cnc2c(c1)C(=O)C(=O)N2 62a_100010174890_200000210301 [0,2,0,0,0,0|1,0,1]=4 321 B14R2.3274 CSc1cnc2c(c1)C(=O)C(=O)N2 62a_200000210301_100010174890 [0,2,0,0,0,0|1,0,1]=4 322 B14R2.3274 [13CH3]Sc1cnc2c(c1)C(=O)C(=O)N2 62a_100010174890_200025704644 [0,2,0,0,0,0|1,0,1]=4 323 B14R2.3274 [13CH3]Sc1cnc2c(c1)C(=O)C(=O)N2 62a_200025704644_100010174890 [0,2,0,0,0,0|1,0,1]=4 324 B14R2.11690 C=Cc1cccc2c1n(c(=O)[nH]2)C 271570a_100011290941_100010994120 [0,2,0,0,0,0|2,0,0]=4 325 B14R2.11690 CSc1cccc2c1n(c(=O)[nH]2)C 62a_200000210301_100010994120 [0,2,0,0,0,0|2,0,0]=4 326 B14R2.11690 Cn1c(=O)[nH]c2c1c(ccc2)S[13CH3] 62a_200025704644_100010994120 [0,2,0,0,0,0|2,0,0]=4 327 B14R2.27750 Cn1c(=O)[nH]c2c1c(cc(c2)F)O 271570a_203496583355_100015762564 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,1,0,0,1|2,0,0]=4 329 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,1,0,0,1|2,0,0]=4 330 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,1,0,0,1|2,0,0]=4 331 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,1,0,0,1|2,0,0]=4 332 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,1,0,0,1|2,0,0]=4 333 B12R1.107 CN(CC(=O)N)c1cccnn1 27a_100000739694_100016991348 [0,0,1,0,0,1|2,0,0]=4 334 B12R1.107 CN(CC(=O)N)c1cnccn1 27a_100000739694_100000211759 [0,0,1,0,0,1|2,0,0]=4 335 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,1,0,0,1|2,0,0]=4 336 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,1,0,0,1|2,0,0]=4 337 B12R1.27 C=CC(=O)NCc1ccccn1 1626a_100000210449_100000185746 [0,0,1,0,0,1|2,0,0]=4 338 B12R1.27 C=CC(=O)NCc1ccccn1 240690a_100000210449_200121576911 [0,0,1,0,0,1|2,0,0]=4 339 B12R1.27 C=CC(=O)NNc1ccccn1 22a_100000183288_100000185746 [0,0,1,0,0,1|2,0,0]=4 340 B12R1.27 CC(=NNc1ccccn1)CO 4a_100000183288_100000211253 [0,0,1,0,0,1|2,0,0]=4 341 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,0,1,0,0,1|2,0,0]=4 342 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,0,1,0,0,1|2,0,0]=4 343 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,0,1,0,0,1|2,0,0]=4 344 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,0,1,0,0,1|2,0,0]=4 345 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [0,0,1,0,0,1|2,0,0]=4 346 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,0,1,0,0,1|2,0,0]=4 347 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,0,1,0,0,1|2,0,0]=4 348 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,0,1,0,0,1|2,0,0]=4 349 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,0,1,0,0,1|2,0,0]=4 350 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,0,1,0,0,1|2,0,0]=4 351 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,1,0,0,1|2,0,0]=4 352 B12R1.27 CNC(=O)CNc1cccnn1 27a_100000693194_100016991348 [0,0,1,0,0,1|2,0,0]=4 353 B12R1.27 CNC(=O)CNc1ccncn1 27a_100000693194_100000703185 [0,0,1,0,0,1|2,0,0]=4 354 B12R1.27 CNC(=O)CNc1cnccn1 27a_100000693194_100000211759 [0,0,1,0,0,1|2,0,0]=4 355 B12R1.27 CNC(=O)CNc1ncccn1 27a_100000693194_100000211032 [0,0,1,0,0,1|2,0,0]=4 356 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,0,1,0,0,1|2,0,0]=4 357 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,0,1,0,0,1|2,0,0]=4 358 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,0,1,0,0,1|2,0,0]=4 359 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,0,1,0,0,1|2,0,0]=4 360 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,0,1,0,0,1|2,0,0]=4 361 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,0,1,0,0,1|2,0,0]=4 362 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,0,1,0,0,1|2,0,0]=4 363 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,0,1,0,0,1|2,0,0]=4 364 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,1,0,0,1|2,0,0]=4 365 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,1,0,0,1|2,0,0]=4 366 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,1,0,0,1|2,0,0]=4 367 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,1,0,0,1|2,0,0]=4 368 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,1,0,0,1|2,0,0]=4 369 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,1,0,0,1|2,0,0]=4 370 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,0,1,0,0,1|1,0,0]=3 371 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,0,1,0,0,1|1,0,0]=3 372 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,0,1,0,0,1|1,0,0]=3 373 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,0,1,0,0,1|1,0,0]=3 374 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,0,1,0,0,1|1,0,0]=3 375 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100102657272_100159270163 [0,0,1,0,0,1|2,0,0]=4 376 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100159270163_106832991635 [0,0,1,0,0,1|2,0,0]=4 377 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100102657272_100159270163 [0,0,1,0,0,1|2,0,0]=4 378 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100159270163_100102657272 [0,0,1,0,0,1|2,0,0]=4 379 B12R1.27 CNC(=O)NCc1cccnn1 512a_100159270163_100102657272 [0,0,1,0,0,1|2,0,0]=4 380 B12R1.27 CNC(=O)NCc1cccnn1 512a_106832991638_100159270163 [0,0,1,0,0,1|2,0,0]=4 381 B12R1.27 CNC(=O)NCc1ccncn1 2708a_100102657272_100000736019 [0,0,1,0,0,1|2,0,0]=4 382 B12R1.27 CNC(=O)NCc1ccncn1 273464a_100102657272_100000736019 [0,0,1,0,0,1|2,0,0]=4 383 B12R1.27 CNC(=O)NCc1ccncn1 512a_100000736019_100102657272 [0,0,1,0,0,1|2,0,0]=4 384 B12R1.27 CNC(=O)NCc1ccncn1 512a_106832991638_100000736019 [0,0,1,0,0,1|2,0,0]=4 385 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100000737960_106832991635 [0,0,1,0,0,1|2,0,0]=4 386 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100102657272_100000737960 [0,0,1,0,0,1|2,0,0]=4 387 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100000737960_100102657272 [0,0,1,0,0,1|2,0,0]=4 388 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100102657272_100000737960 [0,0,1,0,0,1|2,0,0]=4 389 B12R1.27 CNC(=O)NCc1cnccn1 512a_100000737960_100102657272 [0,0,1,0,0,1|2,0,0]=4 390 B12R1.27 CNC(=O)NCc1cnccn1 512a_106832991638_100000737960 [0,0,1,0,0,1|2,0,0]=4 391 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100015189908_106832991635 [0,0,1,0,0,1|2,0,0]=4 392 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100102657272_100015189908 [0,0,1,0,0,1|2,0,0]=4 393 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100015189908_100102657272 [0,0,1,0,0,1|2,0,0]=4 394 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100102657272_100015189908 [0,0,1,0,0,1|2,0,0]=4 395 B12R1.27 CNC(=O)NCc1ncccn1 512a_100015189908_100102657272 [0,0,1,0,0,1|2,0,0]=4 396 B12R1.27 CNC(=O)NCc1ncccn1 512a_106832991638_100015189908 [0,0,1,0,0,1|2,0,0]=4 397 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,1,0,0,1|2,0,0]=4 398 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,1,0,0,1|2,0,0]=4 399 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,0,1,0,0,1|1,0,0]=3 400 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,0,1,0,0,1|1,0,0]=3 401 B12R1.27 CNC(=O)NNc1cccnn1 273464a_100102657272_100000757824 [0,0,1,0,0,1|2,0,0]=4 402 B12R1.27 CNC(=O)NNc1cccnn1 512a_106832991638_100000757824 [0,0,1,0,0,1|2,0,0]=4 403 B12R1.27 CNC(=O)NNc1ccncn1 273464a_100102657272_100011438088 [0,0,1,0,0,1|2,0,0]=4 404 B12R1.27 CNC(=O)NNc1ccncn1 512a_106832991638_100011438088 [0,0,1,0,0,1|2,0,0]=4 405 B12R1.27 CNC(=O)NNc1cnccn1 273464a_100102657272_100000736894 [0,0,1,0,0,1|2,0,0]=4 406 B12R1.27 CNC(=O)NNc1cnccn1 512a_106832991638_100000736894 [0,0,1,0,0,1|2,0,0]=4 407 B12R1.27 CNC(=O)NNc1ncccn1 273464a_100102657272_100000736892 [0,0,1,0,0,1|2,0,0]=4 408 B12R1.27 CNC(=O)NNc1ncccn1 512a_106832991638_100000736892 [0,0,1,0,0,1|2,0,0]=4 409 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,0,1,0,0,1|2,0,0]=4 410 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,1,0,0,1|2,0,0]=4 411 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,1,0,0,1|2,0,0]=4 412 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,0,1,0,0,1|1,0,0]=3 413 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,0,1,0,0,1|1,0,0]=3 414 B12R1.27 O=C(CO)NCc1cccnn1 240690a_100159270163_100000210174 [0,0,1,0,0,1|2,0,0]=4 415 B12R1.27 O=C(CO)NCc1cccnn1 527a_100159270163_100000210174 [0,0,1,0,0,1|2,0,0]=4 416 B12R1.27 O=C(CO)NCc1ccncn1 240690a_100000736019_100000210174 [0,0,1,0,0,1|2,0,0]=4 417 B12R1.27 O=C(CO)NCc1ccncn1 527a_100000736019_100000210174 [0,0,1,0,0,1|2,0,0]=4 418 B12R1.27 O=C(CO)NCc1cnccn1 240690a_100000737960_100000210174 [0,0,1,0,0,1|2,0,0]=4 419 B12R1.27 O=C(CO)NCc1cnccn1 527a_100000737960_100000210174 [0,0,1,0,0,1|2,0,0]=4 420 B12R1.27 O=C(CO)NCc1ncccn1 240690a_100015189908_100000210174 [0,0,1,0,0,1|2,0,0]=4 421 B12R1.27 O=C(CO)NCc1ncccn1 527a_100015189908_100000210174 [0,0,1,0,0,1|2,0,0]=4 422 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,0,1,0,0,1|2,0,0]=4 423 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,0,1,0,0,1|1,0,0]=3 424 B12R1.27 O=C(CO)NNc1cccnn1 22a_100000757824_100000210174 [0,0,1,0,0,1|2,0,0]=4 425 B12R1.27 O=C(CO)NNc1ccncn1 22a_100011438088_100000210174 [0,0,1,0,0,1|2,0,0]=4 426 B12R1.27 O=C(CO)NNc1cnccn1 22a_100000736894_100000210174 [0,0,1,0,0,1|2,0,0]=4 427 B12R1.27 O=C(CO)NNc1ncccn1 22a_100000736892_100000210174 [0,0,1,0,0,1|2,0,0]=4