0 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.11 CCCC(=O)N1CC=CC1 1626a_100015195280_100000211992 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.11 CCCC(=O)N1CC=CC1 240690a_100015195280_100000211992 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,0,0,0,0,0|0,0,4]=4 7 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.11 CCNC(=O)C1=CCOC1 11a_100015525214_100000139269 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.11 CCNC(=O)C1=CCOC1 240690a_100015525214_100000139269 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.11 CCNC(=O)N1CC=CC1 2708a_100015525214_100015195280 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.11 CCNC(=O)N1CC=CC1 273464a_100015525214_100015195280 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [0,0,0,0,0,0|2,1,1]=4 19 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [0,0,0,0,0,0|2,1,1]=4 20 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,0,0,0,0,0|2,1,1]=4 24 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,0,0,0,0,0|1,1,0]=2 27 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,0,0,0,0,0|1,1,0]=2 28 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,0,0,0,0,0|2,1,0]=3 32 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.11 COCC(=O)N1CC=CC1 1626a_100015195280_100000210968 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.11 COCC(=O)N1CC=CC1 240690a_100015195280_100000210968 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,0,0,0,0,0|2,1,1]=4 39 B10R1.11 CSCC(=O)N1CC=CC1 1626a_100015195280_100000184570 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.11 CSCC(=O)N1CC=CC1 240690a_100015195280_100000184570 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,0,0,0,0,0|1,1,0]=2 46 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,0,0,0,0,0|1,1,0]=2 47 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,0,0,0,0,0|2,1,0]=3 50 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,0,0,0,0,0|2,1,0]=3 51 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.11 O=C(CCF)C1=CCOC1 1458a_100000139269_100011217306 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.11 O=C(CCF)C1=COCC1 1458a_100000750620_100011217306 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.11 O=C(CCF)C1CC=CC1 1458a_100000759439_100011217306 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.11 O=C(CCO)C1=CCOC1 1458a_100000139269_100000211926 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.11 O=C(CCO)C1=COCC1 1458a_100000750620_100000211926 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.11 O=C(CCO)C1CC=CC1 1458a_100000759439_100000211926 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.11 O=C(CCO)N1CC=CC1 240690a_100015195280_100011216618 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,0,0,0,0,0|1,0,2]=3 65 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,0,0,0,0,0|2,1,1]=4 66 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,0,0,0,0,0|1,0,0]=1 69 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,0,0,0,0,0|1,0,0]=1 70 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,0,0,0,0,0|1,1,0]=2 71 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,0,0,0,0,0|1,1,0]=2 72 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,0,0,0,0,0|2,1,0]=3 75 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,0,0,0,0,0|2,1,0]=3 76 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [1,0,0,0,0,0|1,0,2]=4 79 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [1,0,0,0,0,0|1,0,2]=4 82 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [1,0,0,0,0,0|1,0,2]=4 91 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [1,0,0,0,0,0|1,0,2]=4 92 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [1,0,0,0,0,0|1,0,2]=4 93 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,0,0|0,0,1]=2 96 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,0,0|0,1,1]=3 97 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,0,0,0|1,0,1]=3 101 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [1,0,0,0,0,0|1,1,1]=4 102 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [1,0,0,0,0,0|1,1,1]=4 106 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,0,0,0,0,0|1,1,0]=3 115 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,0,0,0,0,0|1,1,0]=3 116 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [1,0,0,0,0,0|2,1,0]=4 127 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [1,0,0,0,0,0|2,1,0]=4 128 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [1,0,0,0,0,0|2,1,0]=4 135 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [1,0,0,0,0,0|2,1,0]=4 136 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,0,0,0|1,0,1]=3 137 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,0,0,0|1,0,1]=3 138 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,0,0,0|1,0,1]=3 139 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,0,0,0|1,0,1]=3 140 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,0,0,0,0,0|1,1,1]=4 141 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,0,0,0,0,0|1,1,1]=4 142 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,0,0,0,0,0|1,1,1]=4 143 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [1,0,0,0,0,0|2,0,1]=4 145 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,0,0|1,0,1]=3 148 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,0,0,0|1,1,1]=4 149 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,0,0|1,0,1]=3 155 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,0,0|1,0,1]=3 156 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,0,0|1,1,1]=4 157 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,0,0|1,1,1]=4 158 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,0,0|1,1,1]=4 159 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,0,0|1,1,1]=4 160 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,0,0|1,1,1]=4 161 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,0,0|1,1,1]=4 162 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,0,0|1,1,1]=4 163 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,0,0|1,1,1]=4 164 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [1,0,0,0,0,0|2,1,0]=4 167 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [1,0,0,0,0,0|2,1,0]=4 168 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,0,0|1,1,1]=4 173 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,0,0|1,1,1]=4 174 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [1,0,0,0,0,0|2,1,0]=4 177 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [1,0,0,0,0,0|2,1,0]=4 178 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [1,0,0,0,0,0|2,1,0]=4 185 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [1,0,0,0,0,0|2,1,0]=4 186 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [1,0,0,0,0,0|2,1,0]=4 199 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [1,0,0,0,0,0|2,1,0]=4 200 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,0,0|1,0,1]=3 205 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,0,0|1,0,1]=3 206 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,0,0|1,1,1]=4 207 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,0,0|1,1,1]=4 208 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,0,0|1,1,1]=4 209 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,0,0|1,1,1]=4 210 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,0,0|1,1,1]=4 211 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,0,0|1,1,1]=4 212 B11R1.2 CCCC(NC)c1ccco1 269862a_106832991636_200011535218 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [0,1,0,0,0,0|1,1,1]=4 214 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [0,1,0,0,0,0|1,1,1]=4 215 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [0,1,0,0,0,0|1,1,1]=4 216 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [0,1,0,0,0,0|1,1,1]=4 217 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [0,1,0,0,0,0|1,1,1]=4 218 B11R1.2 CCNC(CC)c1ccco1 2230a_100015202707_100000210202 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.2 CCNC(CC)c1ccco1 269862a_100015525214_100000749595 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.2 CCOC(CN)c1ccco1 34a_100000738650_100000210202 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.15 CCCC(=O)C1CC(=NO1)C 1458a_100000763720_100000210303 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,1,0,0,0,0|0,0,3]=4 223 B11R1.15 CCNC(=O)c1ccc(s1)O 271570a_203496583355_200000155171 [0,1,0,0,0,0|1,1,0]=3 224 B11R1.15 CCNC(C)c1ccc(o1)C 269862a_100015525214_100000204583 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.15 CCOC(=O)c1c[nH]c(n1)O 271570a_203496583355_100010231773 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.15 CCOC(=O)c1cc([nH]n1)O 271570a_203496583355_100010743333 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.15 CCOC(=O)c1cc(cs1)O 271570a_203496583355_100009815474 [0,1,0,0,0,0|1,1,0]=3 228 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [0,1,0,0,0,0|1,1,0]=3 231 B11R1.15 CCOC(=O)c1cnc(o1)O 271570a_203496583355_100010205802 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.15 CCOC(=O)c1cnc(s1)O 271570a_203496583355_100009814955 [0,1,0,0,0,0|2,1,0]=4 233 B11R1.15 CCOC(=O)c1coc(n1)O 271570a_203496583355_100011935043 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.15 CCOC(=O)c1csc(c1)O 271570a_203496583355_100011228516 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.15 CCOC(=O)c1csc(n1)O 271570a_203496583355_100009814092 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.15 CCOC(=O)c1nc(cs1)O 271570a_203496583355_200012359684 [0,1,0,0,0,0|2,1,0]=4 237 B11R1.15 CCOC(=O)c1nc(no1)O 271570a_203496583355_100010175899 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.15 CCOC(=O)c1ncc([nH]1)O 271570a_203496583355_100010172669 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.15 CCOC(=O)c1ncc(s1)O 271570a_203496583355_100012362614 [0,1,0,0,0,0|2,1,0]=4 240 B11R1.15 CCOC(=O)c1nnc(o1)O 271570a_203496583355_100010391765 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.15 CNCC(=O)c1ccc(s1)Br 2230a_106832991635_100000185163 [0,1,0,0,0,0|1,1,0]=3 242 B11R1.15 CNCC(=O)c1ccc(s1)Br 7a_106832991635_100000185163 [0,1,0,0,0,0|1,1,0]=3 243 B11R1.15 CNCC(=O)c1ccc(s1)C 2230a_106832991635_100011262362 [0,1,0,0,0,0|1,1,0]=3 244 B11R1.15 CNCC(=O)c1ccc(s1)C 34a_100102657272_100011262362 [0,1,0,0,0,0|1,1,0]=3 245 B11R1.15 CNCC(=O)c1ccc(s1)C 7a_106832991635_100011262362 [0,1,0,0,0,0|1,1,0]=3 246 B11R1.15 CNCC(=O)c1ccc(s1)Cl 2230a_106832991635_100000185135 [0,1,0,0,0,0|1,1,0]=3 247 B11R1.15 CNCC(=O)c1ccc(s1)Cl 7a_106832991635_100000185135 [0,1,0,0,0,0|1,1,0]=3 248 B11R1.15 COCC(=O)c1ccc(s1)C 34a_100138415774_100011262362 [0,1,0,0,0,0|1,1,0]=3 249 B11R1.15 CSCC(=O)c1ccc(s1)Br 62a_100000185163_200000210301 [0,1,0,0,0,0|1,1,0]=3 250 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_100011262362_200000210301 [0,1,0,0,0,0|1,1,0]=3 251 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_200000210301_100011262362 [0,1,0,0,0,0|1,1,0]=3 252 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_100000185135_200000210301 [0,1,0,0,0,0|1,1,0]=3 253 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_200000210301_100000185135 [0,1,0,0,0,0|1,1,0]=3 254 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_100011262362_200025704644 [0,1,0,0,0,0|1,1,0]=3 255 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_200025704644_100011262362 [0,1,0,0,0,0|1,1,0]=3 256 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Br 62a_100000185163_200025704644 [0,1,0,0,0,0|1,1,0]=3 257 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_100000185135_200025704644 [0,1,0,0,0,0|1,1,0]=3 258 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_200025704644_100000185135 [0,1,0,0,0,0|1,1,0]=3 259 B11R1.29 CC=NNC(=O)c1ccc[nH]1 4a_100000018271_200000210099 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.29 CC=NNC(=O)c1ccco1 4a_100000185077_200000210099 [0,1,0,0,0,0|1,0,1]=3 261 B11R1.29 CC=NNC(=O)c1cccs1 4a_100000184746_200000210099 [0,1,0,0,0,0|1,1,1]=4 262 B11R1.29 CC=NNC(=O)c1cnco1 4a_100000081316_200000210099 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [0,1,0,0,0,0|1,0,2]=4 264 B11R1.29 CCCCC(=O)C1=CCOC1 1458a_100000139269_100000210211 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.29 CCCCC(=O)C1=COCC1 1458a_100000750620_100000210211 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.29 CCCCC(=O)C1CC=CC1 1458a_100000759439_100000210211 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.29 CCCCC(=O)N1CC=CC1 1626a_100015195280_100000210183 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.29 CCCCC(=O)N1CC=CC1 240690a_100015195280_100000210183 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.29 CCCNC(=O)C1=CCCC1 11a_100020643023_100000038896 [0,1,0,0,0,0|1,0,2]=4 270 B11R1.29 CCCNC(=O)C1=CCCC1 1626a_100020643023_100000038896 [0,1,0,0,0,0|1,0,2]=4 271 B11R1.29 CCCNC(=O)C1=CCCC1 240690a_100020643023_100000038896 [0,1,0,0,0,0|1,0,2]=4 272 B11R1.29 CCCNC(=O)C1=CCOC1 11a_100020643023_100000139269 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.29 CCCNC(=O)C1=CCOC1 1626a_100020643023_100000139269 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.29 CCCNC(=O)C1=CCOC1 240690a_100020643023_100000139269 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.29 CCCNC(=O)C1=COCC1 1626a_100020643023_100000750620 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.29 CCCNC(=O)C1=COCC1 240690a_100020643023_100000750620 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.29 CCCNC(=O)C1CC=CC1 11a_100020643023_100000759439 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.29 CCCNC(=O)C1CC=CC1 1626a_100020643023_100000759439 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.29 CCCNC(=O)C1CC=CC1 240690a_100020643023_100000759439 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.29 CCCNC(=O)C1CC=CC1 527a_100020643023_100000759439 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.29 CCCNC(=O)N1CC=CC1 2708a_100020643023_100015195280 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.29 CCCNC(=O)N1CC=CC1 273464a_100020643023_100015195280 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [0,1,0,0,0,0|1,1,1]=4 285 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [0,1,0,0,0,0|1,1,1]=4 286 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [0,1,0,0,0,0|1,0,1]=3 287 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,1,0,0,0,0|1,0,1]=3 288 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,1,0,0,0,0|1,1,1]=4 290 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,1,0,0,0,0|0,1,0]=2 291 B11R1.29 CCNCC(=O)c1ccsc1 2230a_100015525214_100011219462 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.29 CCNCC(=O)n1cccn1 2230a_100015525214_100000077511 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.29 CCNCC(O)c1ccco1 2230a_100000738650_100000210202 [0,1,0,0,0,0|0,0,2]=3 294 B11R1.29 CCNN=C(C)c1ccc[nH]1 4a_100000756455_100000183661 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.29 CCNN=C(C)c1ccco1 4a_100000756455_100000210965 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.29 CCNN=C(C)c1cccs1 4a_100000756455_100000185736 [0,1,0,0,0,0|2,1,0]=4 297 B11R1.29 CCNN=C(C)c1ccno1 4a_100000756455_100009863766 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.29 CCOCC(=O)N1CC=CC1 1626a_100015195280_100000211967 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.29 CCOCC(=O)N1CC=CC1 240690a_100015195280_100000211967 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.29 CCOCC(=O)c1ccsc1 34a_100121572206_100011219462 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.29 CCOCC(N)c1cccs1 34a_100102422791_100000210202 [0,1,0,0,0,0|1,1,1]=4 302 B11R1.29 CCSCC(=O)N1CC=CC1 1626a_100015195280_100000230394 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.29 CCSCC(=O)N1CC=CC1 240690a_100015195280_100000230394 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,1,0,0,0,0|0,0,0]=1 307 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,1,0,0,0,0|0,0,0]=1 308 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,1,0,0,0,0|0,1,0]=2 309 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,1,0,0,0,0|0,1,0]=2 310 B11R1.29 CCSCC(=O)c1ccsc1 62a_100000210202_100011219462 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.29 CCSCC(=O)c1ccsc1 62a_100011219462_100000210202 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.29 CCSCC(=O)c1nccs1 62a_100000210202_100000718653 [0,1,0,0,0,0|1,1,0]=3 313 B11R1.29 CCSCC(=O)c1nccs1 62a_100000718653_100000210202 [0,1,0,0,0,0|1,1,0]=3 314 B11R1.29 CCSCC(=O)n1cccn1 62a_100000077511_100000210202 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.29 CCSCC(=O)n1cccn1 62a_100000210202_100000077511 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,1,0,0,0,0|0,1,0]=2 317 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,1,0,0,0,0|0,1,0]=2 318 B11R1.29 COCCC(=O)C1=CCCC1 1458a_100000038896_100000233755 [0,1,0,0,0,0|1,0,2]=4 319 B11R1.29 COCCC(=O)C1=CCOC1 1458a_100000139269_100000233755 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.29 COCCC(=O)C1=COCC1 1458a_100000750620_100000233755 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.29 COCCC(=O)C1CC=CC1 1458a_100000759439_100000233755 [0,1,0,0,0,0|1,0,2]=4 322 B11R1.29 COCCC(=O)N1CC=CC1 1626a_100015195280_100000749529 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.29 COCCC(=O)N1CC=CC1 240690a_100015195280_100000749529 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.29 CSCCC(=O)C1=CCCC1 1458a_100000038896_100000751147 [0,1,0,0,0,0|1,0,2]=4 326 B11R1.29 CSCCC(=O)C1=CCOC1 1458a_100000139269_100000751147 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.29 CSCCC(=O)C1=COCC1 1458a_100000750620_100000751147 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.29 CSCCC(=O)C1CC=CC1 1458a_100000759439_100000751147 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.29 CSCCC(=O)N1CC=CC1 1626a_100015195280_100000174002 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.29 CSCCC(=O)N1CC=CC1 240690a_100015195280_100000174002 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [0,1,0,0,0,0|0,1,0]=2 332 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [0,1,0,0,0,0|0,1,0]=2 333 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.29 C[C@@H](NCCF)c1ccco1 2230a_100160469435_100011217306 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.29 C[C@@H](NCCO)c1ccco1 2230a_100160469435_100000211926 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.29 C[C@H](OCCF)c1ccco1 34a_100000755270_100011217306 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.29 C[C@H](OCCF)c1ccco1 7a_100000755270_100011217306 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.29 C[C@H](OCCO)c1ccco1 34a_100000755270_100000211926 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.29 C[C@H](OCCO)c1ccco1 7a_100000755270_100000211926 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.29 O=C(CCCF)C1=CCCC1 1458a_100000038896_100011934791 [0,1,0,0,0,0|1,0,2]=4 342 B11R1.29 O=C(CCCF)C1=CCOC1 1458a_100000139269_100011934791 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.29 O=C(CCCF)C1=COCC1 1458a_100000750620_100011934791 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.29 O=C(CCCF)C1CC=CC1 1458a_100000759439_100011934791 [0,1,0,0,0,0|1,0,2]=4 345 B11R1.29 O=C(CCCO)C1=CCCC1 1458a_100000038896_100011215043 [0,1,0,0,0,0|1,0,2]=4 346 B11R1.29 O=C(CCCO)C1=CCOC1 1458a_100000139269_100011215043 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.29 O=C(CCCO)C1=COCC1 1458a_100000750620_100011215043 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.29 O=C(CCCO)C1CC=CC1 1458a_100000759439_100011215043 [0,1,0,0,0,0|1,0,2]=4 349 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_100015361967_200011262396 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_200011262396_100015361967 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [0,1,0,0,0,0|1,0,0]=2 353 B11R1.29 O=C(CSCF)c1cccs1 62a_100000211436_100015361967 [0,1,0,0,0,0|1,1,0]=3 354 B11R1.29 O=C(CSCF)c1cccs1 62a_100015361967_100000211436 [0,1,0,0,0,0|1,1,0]=3 355 B11R1.29 O=C(CSCF)c1ccsc1 62a_100011219462_100015361967 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.29 O=C(CSCF)c1ccsc1 62a_100015361967_100011219462 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.29 O=C(CSCF)c1nccs1 62a_100000718653_100015361967 [0,1,0,0,0,0|2,1,0]=4 358 B11R1.29 O=C(CSCF)c1nccs1 62a_100015361967_100000718653 [0,1,0,0,0,0|2,1,0]=4 359 B11R1.29 O=C(CSCF)n1cccn1 62a_100000077511_100015361967 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.29 O=C(CSCF)n1cccn1 62a_100015361967_100000077511 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [0,1,0,0,0,0|0,1,0]=2 362 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [0,1,0,0,0,0|0,1,0]=2 363 B11R1.31 CC(S[13CH3])C(=O)c1cccs1 62a_100011262360_200025704644 [0,1,0,0,0,0|1,1,0]=3 364 B11R1.31 CC(S[13CH3])C(=O)c1cccs1 62a_200025704644_100011262360 [0,1,0,0,0,0|1,1,0]=3 365 B11R1.31 CCC(C)C(=O)C1=CCCC1 1458a_100000038896_100000758301 [0,1,0,0,0,0|1,0,2]=4 366 B11R1.31 CCC(C)C(=O)C1=CCOC1 1458a_100000139269_100000758301 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.31 CCC(C)C(=O)C1=COCC1 1458a_100000750620_100000758301 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.31 CCC(C)C(=O)C1CC=CC1 1458a_100000759439_100000758301 [0,1,0,0,0,0|1,0,2]=4 369 B11R1.31 CCC(C)C(=O)N1CC=CC1 1626a_100015195280_100011192722 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.31 CCC(C)C(=O)N1CC=CC1 240690a_100015195280_100011192722 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.31 CCC(O)C(=O)N1CC=CC1 240690a_100015195280_100011196387 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.31 CCN(C)C(C)c1ccco1 2230a_100000232712_100000210202 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.31 CCN(C)C(C)c1ccco1 269982a_100000232712_100000204670 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.31 CNC(C)C(=O)c1cccs1 2230a_106832991635_100011262360 [0,1,0,0,0,0|1,1,0]=3 375 B11R1.31 CNC(C)C(=O)c1cccs1 7a_106832991635_100011262360 [0,1,0,0,0,0|1,1,0]=3 376 B11R1.31 CSC(C)C(=O)c1cccs1 62a_100011262360_200000210301 [0,1,0,0,0,0|1,1,0]=3 377 B11R1.31 CSC(C)C(=O)c1cccs1 62a_200000210301_100011262360 [0,1,0,0,0,0|1,1,0]=3 378 B11R1.33 CCNS(=O)(=O)c1ccco1 270084a_100015525214_200000702926 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.33 CCNS(=O)(=O)c1ccco1 274078a_100015525214_200000702926 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.33 CCNS(=O)(=O)c1cccs1 270084a_100015525214_100000205146 [0,1,0,0,0,0|2,1,0]=4 381 B11R1.33 CCNS(=O)(=O)c1cccs1 274078a_100015525214_100000205146 [0,1,0,0,0,0|2,1,0]=4 382 B11R1.33 CCNS(=O)(=O)c1cccs1 40a_100015525214_200000102146 [0,1,0,0,0,0|2,1,0]=4 383 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,1,0,0,0,0|1,0,1]=3 384 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,1,0,0,0,0|0,0,1]=2 385 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,1,0,0,0,0|0,1,1]=3 386 B11R1.77 CC(=O)CC(=O)c1ccsc1 1458a_100000070787_100011219462 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.77 CC(=O)CC(=O)c1nccs1 1458a_100000070787_100000718653 [0,1,0,0,0,0|1,1,1]=4 388 B11R1.77 CC(=O)CC(=O)n1cccn1 1458a_100000070787_100000077511 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.77 CC(C)CC(=O)C1=CCCC1 1458a_100000038896_100000210624 [0,1,0,0,0,0|1,0,2]=4 390 B11R1.77 CC(C)CC(=O)C1=CCOC1 1458a_100000139269_100000210624 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.77 CC(C)CC(=O)C1=COCC1 1458a_100000750620_100000210624 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.77 CC(C)CC(=O)C1CC=CC1 1458a_100000759439_100000210624 [0,1,0,0,0,0|1,0,2]=4 393 B11R1.77 CC(C)CC(=O)N1CC=CC1 1626a_100015195280_100000210554 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.77 CC(C)CC(=O)N1CC=CC1 240690a_100015195280_100000210554 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,1,0,0,0,0|1,0,1]=3 396 B11R1.77 CC(C)C[C@H](N)c1cccs1 271570a_100015190218_100011215356 [0,1,0,0,0,0|1,1,1]=4 397 B11R1.77 CC(C)C[C@H](N)c1cnco1 271570a_100015190218_100020591547 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.77 CC(C)C[C@H](N)c1ncco1 271570a_100015190218_100011787736 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.77 CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000210206 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.77 CC(O)CC(=O)C1=CCCC1 1458a_100000038896_100011218427 [0,1,0,0,0,0|1,0,2]=4 403 B11R1.77 CC(O)CC(=O)C1=CCOC1 1458a_100000139269_100011218427 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.77 CC(O)CC(=O)C1=COCC1 1458a_100000750620_100011218427 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.77 CC(O)CC(=O)C1CC=CC1 1458a_100000759439_100011218427 [0,1,0,0,0,0|1,0,2]=4 406 B11R1.77 CN(C)CC(=O)c1ccc[nH]1 269982a_100102631434_200011262396 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,1,0,0,0,0|1,0,0]=2 408 B11R1.77 CN(C)CC(=O)c1cccs1 2230a_100102631434_100000211436 [0,1,0,0,0,0|1,1,0]=3 409 B11R1.77 CN(C)CC(=O)c1cccs1 269982a_100102631434_100000211436 [0,1,0,0,0,0|1,1,0]=3 410 B11R1.77 CN(C)CC(=O)c1ccsc1 2230a_100102631434_100011219462 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.77 CN(C)CC(=O)c1ccsc1 269982a_100102631434_100011219462 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.77 CN(C)CC(=O)c1nccs1 269982a_100102631434_100000718653 [0,1,0,0,0,0|2,1,0]=4 413 B11R1.77 CN(C)CC(=O)n1cccn1 2230a_100102631434_100000077511 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.77 CN(C)CC(=O)n1cccn1 269982a_100102631434_100000077511 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.77 C[C@@H](O)CC(=O)N1CC=CC1 240690a_100015195280_100011933948 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.199 CCOC(=O)c1[nH]ncc1O 271570a_203496583355_100102524952 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.199 CCOC(=O)c1ccsc1O 271570a_203496583355_100010219215 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.199 CCOC(=O)c1cscc1O 271570a_203496583355_100012353568 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.199 CCOC(=O)c1ncsc1O 271570a_203496583355_100010232029 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.199 CCOC(=O)c1ocnc1O 271570a_203496583355_100010260153 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.199 CCOC(=O)c1scnc1O 271570a_203496583355_100012038550 [0,1,0,0,0,0|2,1,0]=4 422 B11R1.199 CNCC(=O)c1cccn1C 2230a_106832991635_200011262399 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.199 CNCC(=O)c1cccn1C 34a_100102657272_200011262399 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.199 CNCC(=O)c1cccn1C 7a_106832991635_200011262399 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.199 CNCC(=O)c1nccn1C 34a_100102657272_100010243886 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.199 CNCC(=O)c1nccn1C 7a_106832991635_100010243886 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.199 CNCC(=O)c1sccc1Br 2230a_106832991635_100000740827 [0,1,0,0,0,0|1,1,0]=3 428 B11R1.199 CNCC(=O)c1sccc1Br 34a_100102657272_100000740827 [0,1,0,0,0,0|1,1,0]=3 429 B11R1.199 CNCC(=O)c1sccc1Br 7a_106832991635_100000740827 [0,1,0,0,0,0|1,1,0]=3 430 B11R1.199 COCC(=O)c1cccn1C 34a_100138415774_200011262399 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.199 COCC(=O)c1nccn1C 34a_100138415774_100010243886 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.199 COCC(=O)c1sccc1Br 34a_100138415774_100000740827 [0,1,0,0,0,0|1,1,0]=3 433 B11R1.199 CSCC(=O)c1cccn1C 62a_200000210301_200011262399 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.199 CSCC(=O)c1cccn1C 62a_200011262399_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.199 CSCC(=O)c1nccn1C 62a_100010243886_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.199 CSCC(=O)c1nccn1C 62a_200000210301_100010243886 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.199 CSCC(=O)c1sccc1Br 62a_100000740827_200000210301 [0,1,0,0,0,0|1,1,0]=3 438 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200011262399_200025704644 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200025704644_200011262399 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_100010243886_200025704644 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_200025704644_100010243886 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.199 [13CH3]SCC(=O)c1sccc1Br 62a_100000740827_200025704644 [0,1,0,0,0,0|1,1,0]=3 443 B9R0.5 C#CCC(=O)C=C/C=C/C 1458a_100000185730_100000184674 [0,0,1,0,0,0|1,0,2]=4 444 B9R0.5 C/C=C/C=CC(=O)CC#N 1458a_100000185730_100011214920 [0,0,1,0,0,0|2,0,1]=4 445 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,0,1,0,0,0|1,0,0]=2 446 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,0,1,0,0,0|2,0,0]=3 447 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,0,1,0,0,0|2,0,0]=3 448 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,0,1,0,0,0|2,0,0]=3 449 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,0,1,0,0,0|2,0,0]=3 450 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,0,1,0,0,0|3,0,0]=4 451 B9R0.5 C=CCC(=O)C=C/C=C/C 1458a_100000185730_100000210623 [0,0,1,0,0,0|1,0,2]=4 452 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,0,1,0,0,0|1,0,2]=4 453 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,0,1,0,0,0|1,0,2]=4 454 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,0,1,0,0,0|2,0,1]=4 455 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,0,1,0,0,0|2,0,1]=4 456 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,0,1,0,0,0|2,0,1]=4 457 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,0,1,0,0,0|2,0,1]=4 458 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,0,1,0,0,0|1,0,2]=4 459 B9R0.5 C=CCNNC(=O)CCC 22a_100020588587_100000211992 [0,0,1,0,0,0|2,0,1]=4 460 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,0,1,0,0,0|1,0,2]=4 461 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,0,1,0,0,0|1,0,2]=4 462 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,0,1,0,0,0|0,1,2]=4 463 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,0,1,0,0,0|0,1,2]=4 464 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,0,1,0,0,0|0,1,2]=4 465 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,0,1,0,0,0|2,0,1]=4 466 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,0,1,0,0,0|1,0,2]=4 467 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,0,1,0,0,0|1,0,2]=4 468 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,0,1,0,0,0|2,0,1]=4 469 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,0,1,0,0,0|2,0,1]=4 470 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,0,1,0,0,0|1,0,2]=4 471 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,0,1,0,0,0|1,0,2]=4 472 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,0,1,0,0,0|1,0,2]=4 473 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,0,1,0,0,0|2,0,1]=4 474 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,0,1,0,0,0|2,0,1]=4 475 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,0,1,0,0,0|2,0,1]=4 476 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,0,1,0,0,0|2,0,1]=4 477 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,0,1,0,0,0|1,0,2]=4 478 B11R2.2 C1=C(CCC1)c2c[nH]cn2 271570a_100000089523_100000756875 [0,0,0,1,0,0|3,0,0]=4 479 B11R2.2 C1=C(CCC1)c2cc[nH]n2 271570a_100000089523_100000062575 [0,0,0,1,0,0|3,0,0]=4 480 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [0,0,0,1,0,0|1,0,0]=2 481 B11R2.2 C1=C(CCC1)c2cccs2 271570a_100000089523_100011215356 [0,0,0,1,0,0|1,1,0]=3 482 B11R2.2 C1=C(CCC1)c2ccoc2 271570a_100000089523_100011215275 [0,0,0,1,0,0|3,0,0]=4 483 B11R2.2 C1=C(CCC1)c2ccsc2 271570a_100000089523_100000738268 [0,0,0,1,0,0|3,0,0]=4 484 B11R2.2 C1=C(CCC1)c2ccsn2 271570a_100000089523_100009818082 [0,0,0,1,0,0|3,0,0]=4 485 B11R2.2 C1=C(CCC1)c2cnco2 271570a_100000089523_100020591547 [0,0,0,1,0,0|2,0,0]=3 486 B11R2.2 C1=C(CCC1)c2cncs2 271570a_100000089523_100011934649 [0,0,0,1,0,0|2,1,0]=4 487 B11R2.2 C1=C(CCC1)c2cscn2 271570a_100000089523_100000751502 [0,0,0,1,0,0|3,0,0]=4 488 B11R2.2 C1=C(CCC1)c2ncc[nH]2 271570a_100000089523_100025796157 [0,0,0,1,0,0|3,0,0]=4 489 B11R2.2 C1=C(CCC1)c2ncco2 271570a_100000089523_100011787736 [0,0,0,1,0,0|2,0,0]=3 490 B11R2.2 C1=C(CCC1)c2nccs2 271570a_100000089523_100000211983 [0,0,0,1,0,0|2,1,0]=4 491 B11R2.2 C1=C(CCO1)c2ccco2 271570a_100000118173_100009814098 [0,0,0,1,0,0|2,0,0]=3 492 B11R2.2 C1=C(CCO1)c2cccs2 271570a_100000118173_100011215356 [0,0,0,1,0,0|2,1,0]=4 493 B11R2.2 C1=C(CCO1)c2cnco2 271570a_100000118173_100020591547 [0,0,0,1,0,0|3,0,0]=4 494 B11R2.2 C1=C(CCO1)c2ncco2 271570a_100000118173_100011787736 [0,0,0,1,0,0|3,0,0]=4 495 B11R2.2 C1=C(COC1)c2ccco2 271570a_100009872500_100009814098 [0,0,0,1,0,0|2,0,0]=3 496 B11R2.2 C1=C(COC1)c2cccs2 271570a_100009872500_100011215356 [0,0,0,1,0,0|2,1,0]=4 497 B11R2.2 C1=C(COC1)c2cnco2 271570a_100009872500_100020591547 [0,0,0,1,0,0|3,0,0]=4 498 B11R2.2 C1=C(COC1)c2ncco2 271570a_100009872500_100011787736 [0,0,0,1,0,0|3,0,0]=4 499 B11R2.1031 C=C(c1c[nH]cn1)C2CC2 271570a_100010895485_100000756875 [0,0,0,1,0,0|3,0,0]=4 500 B11R2.1031 C=C(c1cc[nH]n1)C2CC2 271570a_100010895485_100000062575 [0,0,0,1,0,0|3,0,0]=4 501 B11R2.1031 C=C(c1ccco1)C2CC2 271570a_100010895485_100009814098 [0,0,0,1,0,0|1,0,0]=2 502 B11R2.1031 C=C(c1cccs1)C2CC2 271570a_100010895485_100011215356 [0,0,0,1,0,0|1,1,0]=3 503 B11R2.1031 C=C(c1ccoc1)C2CC2 271570a_100010895485_100011215275 [0,0,0,1,0,0|3,0,0]=4 504 B11R2.1031 C=C(c1ccsc1)C2CC2 271570a_100010895485_100000738268 [0,0,0,1,0,0|3,0,0]=4 505 B11R2.1031 C=C(c1ccsn1)C2CC2 271570a_100010895485_100009818082 [0,0,0,1,0,0|3,0,0]=4 506 B11R2.1031 C=C(c1cnco1)C2CC2 271570a_100010895485_100020591547 [0,0,0,1,0,0|2,0,0]=3 507 B11R2.1031 C=C(c1cncs1)C2CC2 271570a_100010895485_100011934649 [0,0,0,1,0,0|2,1,0]=4 508 B11R2.1031 C=C(c1cscn1)C2CC2 271570a_100010895485_100000751502 [0,0,0,1,0,0|3,0,0]=4 509 B11R2.1031 C=C(c1ncc[nH]1)C2CC2 271570a_100010895485_100025796157 [0,0,0,1,0,0|3,0,0]=4 510 B11R2.1031 C=C(c1ncco1)C2CC2 271570a_100010895485_100011787736 [0,0,0,1,0,0|2,0,0]=3 511 B11R2.1031 C=C(c1nccs1)C2CC2 271570a_100010895485_100000211983 [0,0,0,1,0,0|2,1,0]=4 512 B11R2.1031 O=C(C1CC1)N2CC=CC2 1626a_100015195280_100000210395 [0,0,0,1,0,0|2,0,1]=4 513 B11R2.1031 O=C(C1CC1)N2CC=CC2 240690a_100015195280_100000210395 [0,0,0,1,0,0|2,0,1]=4 514 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,0,0,0,1,0|0,0,3]=4 515 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,0,0,0,0,1|1,0,2]=4 516 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,0,0,0,0,1|1,0,2]=4 517 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,0,0,0,0,1|1,0,2]=4 518 B11R1.16 CCCC(=O)C1=CCCCO1 1458a_100000764163_100000210303 [0,0,0,0,0,1|0,0,2]=3 519 B11R1.16 CCCC(=O)C1=COCCC1 1458a_100000749935_100000210303 [0,0,0,0,0,1|0,0,3]=4 520 B11R1.16 CCCC(=O)C1=COCCO1 1458a_100000008702_100000210303 [0,0,0,0,0,1|0,0,2]=3 521 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,0,0,0,0,1|1,0,2]=4 522 B11R1.16 CCCC(=O)N1CC=CCC1 11a_100000698166_100000211992 [0,0,0,0,0,1|2,0,1]=4 523 B11R1.16 CCCC(=O)N1CC=CCC1 1626a_100000698166_100000211992 [0,0,0,0,0,1|2,0,1]=4 524 B11R1.16 CCCC(=O)N1CC=CCC1 240690a_100000698166_100000211992 [0,0,0,0,0,1|2,0,1]=4 525 B11R1.16 CCCC(=O)N1CC=CCC1 527a_100000698166_100000211992 [0,0,0,0,0,1|2,0,1]=4 526 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,0,0,0,0,1|1,0,2]=4 527 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,0,0,0,0,1|1,0,0]=2 528 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,0,0,0,0,1|3,0,0]=4 529 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,0,0,0,0,1|3,0,0]=4 530 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,0,0,0,0,1|3,0,0]=4 531 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,0,0,0,0,1|3,0,0]=4 532 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,0,0,0,0,1|3,0,0]=4 533 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,0,0,0,0,1|3,0,0]=4 534 B11R1.16 CCCN(C)c1cccnn1 27a_100000747261_100016991348 [0,0,0,0,0,1|3,0,0]=4 535 B11R1.16 CCCN(C)c1ccncn1 27a_100000747261_100000703185 [0,0,0,0,0,1|3,0,0]=4 536 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [0,0,0,0,0,1|3,0,0]=4 537 B11R1.16 CCCN(C)c1ncccn1 27a_100000747261_100000211032 [0,0,0,0,0,1|3,0,0]=4 538 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,0,0,0,0,1|3,0,0]=4 539 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,0,0,0,0,1|3,0,0]=4 540 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,0,0,0,0,1|3,0,0]=4 541 B11R1.16 CCNC(=O)C1=CCCCO1 11a_100015525214_100000764163 [0,0,0,0,0,1|1,0,2]=4 542 B11R1.16 CCNC(=O)C1=CCCCO1 240690a_100015525214_100000764163 [0,0,0,0,0,1|1,0,2]=4 543 B11R1.16 CCNC(=O)C1=CCCCO1 527a_100015525214_100000764163 [0,0,0,0,0,1|1,0,2]=4 544 B11R1.16 CCNC(=O)C1=COCCO1 11a_100015525214_100000008702 [0,0,0,0,0,1|1,0,2]=4 545 B11R1.16 CCNC(=O)C1=COCCO1 240690a_100015525214_100000008702 [0,0,0,0,0,1|1,0,2]=4 546 B11R1.16 CCNC(=O)C1=COCCO1 527a_100015525214_100000008702 [0,0,0,0,0,1|1,0,2]=4 547 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,0,0,0,0,1|2,0,0]=3 548 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,0,0,0,0,1|2,0,0]=3 549 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,0,0,0,0,1|2,0,0]=3 550 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,0,0,0,0,1|2,0,0]=3 551 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,0,0,0,0,1|2,0,0]=3 552 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,0,0,0,0,1|2,0,0]=3 553 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,0,0,0,0,1|2,0,0]=3 554 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,0,0,0,0,1|3,0,0]=4 555 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,0,0,0,0,1|2,0,0]=3 556 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,0,0,0,0,1|2,0,0]=3 557 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,0,0,0,0,1|2,0,0]=3 558 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,0,0,0,0,1|2,0,0]=3 559 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,0,0,0,0,1|2,0,0]=3 560 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,0,0,0,0,1|2,0,0]=3 561 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,0,0,0,0,1|2,0,0]=3 562 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,0,0,0,0,1|2,0,0]=3 563 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,0,0,0,0,1|2,0,0]=3 564 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,0,0,0,0,1|2,0,0]=3 565 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,0,0,0,0,1|2,0,0]=3 566 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,0,0,0,0,1|3,0,0]=4 567 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,0,0,0,0,1|2,0,1]=4 568 B11R1.16 O=C(CCF)C1=CCCCO1 1458a_100000764163_100011217306 [0,0,0,0,0,1|1,0,2]=4 569 B11R1.16 O=C(CCF)C1=COCCO1 1458a_100000008702_100011217306 [0,0,0,0,0,1|1,0,2]=4 570 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,0,0,0,0,1|2,0,0]=3 571 B11R1.16 O=C(CCO)C1=CCCCO1 1458a_100000764163_100000211926 [0,0,0,0,0,1|1,0,2]=4 572 B11R1.16 O=C(CCO)C1=COCCO1 1458a_100000008702_100000211926 [0,0,0,0,0,1|1,0,2]=4 573 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,0,0,0,0,1|2,0,0]=3 574 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,0,0,0,0,1|2,0,0]=3 575 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,0,0,0,0,1|2,0,0]=3 576 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,0,0,0,0,1|2,0,0]=3 577 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,0,0,0,0,1|2,0,0]=3 578 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,0,0,0,0,1|2,0,0]=3 579 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,0,0,0,0,1|2,0,0]=3 580 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,0,0,0,0,1|2,0,0]=3 581 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,0,0,0,0,1|2,0,0]=3 582 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,0,0,0,0,1|2,0,0]=3 583 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,0,0,0,0,1|2,0,0]=3 584 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,0,0,0,0,1|3,0,0]=4 585 B11R1.30 C#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000184674 [0,0,0,0,0,1|1,0,2]=4 586 B11R1.30 C#CCC(=O)Cc1ccco1 1458a_100011217309_100000184674 [0,0,0,0,0,1|0,0,2]=3 587 B11R1.30 C#CCC(=O)Cc1cccs1 1458a_100000210189_100000184674 [0,0,0,0,0,1|0,1,2]=4 588 B11R1.30 C#CCC(=O)Cc1ncco1 1458a_100011220946_103436540062 [0,0,0,0,0,1|1,0,2]=4 589 B11R1.30 C=CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210623 [0,0,0,0,0,1|1,0,2]=4 590 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,0,0,0,0,1|0,0,2]=3 591 B11R1.30 C=CCC(=O)Cc1cccs1 1458a_100000210189_100000210623 [0,0,0,0,0,1|0,1,2]=4 592 B11R1.30 C=CCC(=O)Cc1ncco1 1458a_100000210193_103436540062 [0,0,0,0,0,1|1,0,2]=4 593 B11R1.30 CC#CC(=O)Cc1ncco1 1458a_100000763181_103436540062 [0,0,0,0,0,1|1,0,2]=4 594 B11R1.30 CC(CCO)Sc1ccco1 62a_100009814098_100009893172 [0,0,0,0,0,1|2,0,1]=4 595 B11R1.30 CC(CCO)Sc1ccco1 62a_100009893172_100009814098 [0,0,0,0,0,1|2,0,1]=4 596 B11R1.30 CC=CC(=O)Cc1ncco1 1458a_100000210699_103436540062 [0,0,0,0,0,1|1,0,2]=4 597 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,0,0,0,0,1|1,0,2]=4 598 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,0,0,0,0,1|1,0,2]=4 599 B11R1.30 CCCC(=O)CC1CC=CC1 1458a_200000137526_100000210303 [0,0,0,0,0,1|1,0,2]=4 600 B11R1.30 CCCC(=O)CN1CC=CC1 269982a_100015195280_100000747444 [0,0,0,0,0,1|2,0,1]=4 601 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100000211992_100000707719 [0,0,0,0,0,1|2,0,0]=3 602 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210303 [0,0,0,0,0,1|2,0,0]=3 603 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,0,0,0,0,1|1,0,0]=2 604 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,0,0,0,0,1|0,0,0]=1 605 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,0,0,0,0,1|0,1,0]=2 606 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000211992_100000728653 [0,0,0,0,0,1|2,0,0]=3 607 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210303 [0,0,0,0,0,1|2,0,0]=3 608 B11R1.30 CCCC(=O)Cc1ccoc1 1458a_100000684892_100000210303 [0,0,0,0,0,1|2,0,0]=3 609 B11R1.30 CCCC(=O)Cc1ccon1 1458a_100000211992_100000234950 [0,0,0,0,0,1|2,0,0]=3 610 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000184062_100000210303 [0,0,0,0,0,1|2,0,0]=3 611 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000211992_100011233845 [0,0,0,0,0,1|2,0,0]=3 612 B11R1.30 CCCC(=O)Cc1cncs1 1458a_100000211992_100015185245 [0,0,0,0,0,1|1,1,0]=3 613 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100000211992_100000205941 [0,0,0,0,0,1|2,0,0]=3 614 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100011438297_100000210303 [0,0,0,0,0,1|2,0,0]=3 615 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,0,0,0,0,1|1,0,0]=2 616 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,0,0,0,0,1|1,1,0]=3 617 B11R1.30 CCCC(=O)Cn1cccc1 1458a_100011196272_100000210303 [0,0,0,0,0,1|2,0,0]=3 618 B11R1.30 CCCC(=O)Cn1cccn1 1458a_100000233772_100000210303 [0,0,0,0,0,1|2,0,0]=3 619 B11R1.30 CCCC(=O)Cn1ccnc1 1458a_100000739072_100000210303 [0,0,0,0,0,1|3,0,0]=4 620 B11R1.30 CCCC(=O)Cn1ccnn1 1458a_100000080816_100000210303 [0,0,0,0,0,1|3,0,0]=4 621 B11R1.30 CCCC(=O)Cn1cncn1 1458a_100000211992_200020645497 [0,0,0,0,0,1|3,0,0]=4 622 B11R1.30 CCCC(=O)Cn1cncn1 1458a_100000699347_100000210303 [0,0,0,0,0,1|3,0,0]=4 623 B11R1.30 CCCC(=O)Cn1nccn1 1458a_100000080817_100000210303 [0,0,0,0,0,1|3,0,0]=4 624 B11R1.30 CCCC(=O)NC1C=CN=N1 11a_100134613517_100000211992 [0,0,0,0,0,1|2,0,1]=4 625 B11R1.30 CCCC(=O)NC1C=CN=N1 240690a_100134613517_100000211992 [0,0,0,0,0,1|2,0,1]=4 626 B11R1.30 CCCC(=O)NC1CC=CC1 11a_100015188752_100000211992 [0,0,0,0,0,1|1,0,2]=4 627 B11R1.30 CCCC(=O)NC1CC=CC1 1626a_100015188752_100000211992 [0,0,0,0,0,1|1,0,2]=4 628 B11R1.30 CCCC(=O)NC1CC=CC1 240690a_100015188752_100000211992 [0,0,0,0,0,1|1,0,2]=4 629 B11R1.30 CCCC(=O)NC1CC=CC1 527a_100015188752_100000211992 [0,0,0,0,0,1|1,0,2]=4 630 B11R1.30 CCCC(C)Sc1ccco1 62a_100000766640_100009814098 [0,0,0,0,0,1|1,0,1]=3 631 B11R1.30 CCCC(C)Sc1ccco1 62a_100009814098_100000766640 [0,0,0,0,0,1|1,0,1]=3 632 B11R1.30 CCCC(C)Sc1cccs1 62a_100000766640_100011215356 [0,0,0,0,0,1|1,1,1]=4 633 B11R1.30 CCCC(C)Sc1cccs1 62a_100011215356_100000766640 [0,0,0,0,0,1|1,1,1]=4 634 B11R1.30 CCCC(C)Sc1cnco1 62a_100000766640_100020591547 [0,0,0,0,0,1|2,0,1]=4 635 B11R1.30 CCCC(C)Sc1cnco1 62a_100020591547_100000766640 [0,0,0,0,0,1|2,0,1]=4 636 B11R1.30 CCCC(C)Sc1ncco1 62a_100000766640_100011787736 [0,0,0,0,0,1|2,0,1]=4 637 B11R1.30 CCCC(C)Sc1ncco1 62a_100011787736_100000766640 [0,0,0,0,0,1|2,0,1]=4 638 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [0,0,0,0,0,1|2,0,0]=3 639 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [0,0,0,0,0,1|2,0,0]=3 640 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [0,0,0,0,0,1|2,0,0]=3 641 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [0,0,0,0,0,1|2,0,0]=3 642 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [0,0,0,0,0,1|2,0,0]=3 643 B11R1.30 CCCN(C)Cc1cccs1 2230a_100000184426_100000210303 [0,0,0,0,0,1|2,1,0]=4 644 B11R1.30 CCCN(C)Cc1cccs1 2230a_200000186944_200000210301 [0,0,0,0,0,1|2,1,0]=4 645 B11R1.30 CCCN(C)Cc1cccs1 269982a_100000184426_100000210303 [0,0,0,0,0,1|2,1,0]=4 646 B11R1.30 CCCN(C)Cc1cccs1 269982a_200000186944_200000210301 [0,0,0,0,0,1|2,1,0]=4 647 B11R1.30 CCCN(C)Cc1cccs1 270004a_100000747261_100000209959 [0,0,0,0,0,1|2,1,0]=4 648 B11R1.30 CCCN(C)Cc1cnco1 270004a_100000747261_100000064291 [0,0,0,0,0,1|3,0,0]=4 649 B11R1.30 CCCN(C)Cc1ncco1 2230a_100000747261_103436540062 [0,0,0,0,0,1|3,0,0]=4 650 B11R1.30 CCCN(C)Cc1ncco1 269982a_100000747261_103436540062 [0,0,0,0,0,1|3,0,0]=4 651 B11R1.30 CCCN(C)Cc1ncco1 270004a_100000747261_100000064290 [0,0,0,0,0,1|3,0,0]=4 652 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [0,0,0,0,0,1|2,0,0]=3 653 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [0,0,0,0,0,1|2,0,0]=3 654 B11R1.30 CCCN([13CH3])Cc1cccs1 2230a_200000186944_200025704644 [0,0,0,0,0,1|2,1,0]=4 655 B11R1.30 CCCN([13CH3])Cc1cccs1 269982a_200000186944_200025704644 [0,0,0,0,0,1|2,1,0]=4 656 B11R1.30 CCNC(=O)Cc1c[nH]cn1 240690a_100015525214_100015291406 [0,0,0,0,0,1|3,0,0]=4 657 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,0,0,0,0,1|2,0,0]=3 658 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,0,0,0,0,1|2,0,0]=3 659 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,0,0,0,0,1|2,0,0]=3 660 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,0,0,0,0,1|1,0,0]=2 661 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,0,0,0,0,1|1,0,0]=2 662 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,0,0,0,0,1|1,1,0]=3 663 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,0,0,0,0,1|1,1,0]=3 664 B11R1.30 CCNC(=O)Cc1ccn[nH]1 11a_100015525214_100000752941 [0,0,0,0,0,1|3,0,0]=4 665 B11R1.30 CCNC(=O)Cc1ccn[nH]1 240690a_100015525214_100000752941 [0,0,0,0,0,1|3,0,0]=4 666 B11R1.30 CCNC(=O)Cc1ccn[nH]1 527a_100015525214_100000752941 [0,0,0,0,0,1|3,0,0]=4 667 B11R1.30 CCNC(=O)Cc1ccoc1 11a_100015525214_100000684892 [0,0,0,0,0,1|3,0,0]=4 668 B11R1.30 CCNC(=O)Cc1ccoc1 240690a_100015525214_100000684892 [0,0,0,0,0,1|3,0,0]=4 669 B11R1.30 CCNC(=O)Cc1ccoc1 527a_100015525214_100000684892 [0,0,0,0,0,1|3,0,0]=4 670 B11R1.30 CCNC(=O)Cc1ccsc1 11a_100015525214_100000184062 [0,0,0,0,0,1|3,0,0]=4 671 B11R1.30 CCNC(=O)Cc1ccsc1 240690a_100015525214_100000184062 [0,0,0,0,0,1|3,0,0]=4 672 B11R1.30 CCNC(=O)Cc1ccsc1 527a_100015525214_100000184062 [0,0,0,0,0,1|3,0,0]=4 673 B11R1.30 CCNC(=O)Cc1cscn1 11a_100015525214_100011438297 [0,0,0,0,0,1|3,0,0]=4 674 B11R1.30 CCNC(=O)Cc1cscn1 240690a_100015525214_100011438297 [0,0,0,0,0,1|3,0,0]=4 675 B11R1.30 CCNC(=O)Cc1cscn1 527a_100015525214_100011438297 [0,0,0,0,0,1|3,0,0]=4 676 B11R1.30 CCNC(=O)Cn1cccc1 11a_100015525214_100011196272 [0,0,0,0,0,1|3,0,0]=4 677 B11R1.30 CCNC(=O)Cn1cccc1 527a_100015525214_100011196272 [0,0,0,0,0,1|3,0,0]=4 678 B11R1.30 CCNC(=O)Cn1cccn1 11a_100015525214_100000233772 [0,0,0,0,0,1|3,0,0]=4 679 B11R1.30 CCNC(=O)Cn1cccn1 240690a_100015525214_100000233772 [0,0,0,0,0,1|3,0,0]=4 680 B11R1.30 CCNC(=O)Cn1cccn1 527a_100015525214_100000233772 [0,0,0,0,0,1|3,0,0]=4 681 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,0,0,0,0,1|2,0,1]=4 682 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [0,0,0,0,0,1|2,0,1]=4 683 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [0,0,0,0,0,1|2,0,1]=4 684 B11R1.30 CN(CCF)Cc1ccco1 2230a_100000185268_100011217306 [0,0,0,0,0,1|3,0,0]=4 685 B11R1.30 CN(CCF)Cc1ccco1 269982a_100000185268_100011217306 [0,0,0,0,0,1|3,0,0]=4 686 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000185268_100000211926 [0,0,0,0,0,1|3,0,0]=4 687 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000200452_200000210301 [0,0,0,0,0,1|3,0,0]=4 688 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000185268_100000211926 [0,0,0,0,0,1|3,0,0]=4 689 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000200452_200000210301 [0,0,0,0,0,1|3,0,0]=4 690 B11R1.30 CN(CCO)Cc1ccco1 270004a_100000210263_100000186105 [0,0,0,0,0,1|3,0,0]=4 691 B11R1.30 CNCC(=O)Nc1ccon1 2230a_106832991635_100000239699 [0,0,0,0,0,1|3,0,0]=4 692 B11R1.30 CNCC(=O)Nc1ccon1 7a_106832991635_100000239699 [0,0,0,0,0,1|3,0,0]=4 693 B11R1.30 CNCC(=O)Nc1nccs1 2230a_106832991635_100000183294 [0,0,0,0,0,1|2,1,0]=4 694 B11R1.30 CNCC(=O)Nc1nccs1 7a_106832991635_100000183294 [0,0,0,0,0,1|2,1,0]=4 695 B11R1.30 CNNC(=O)Cc1ccc[nH]1 22a_100016993582_100000238377 [0,0,0,0,0,1|3,0,0]=4 696 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [0,0,0,0,0,1|2,0,0]=3 697 B11R1.30 CNNC(=O)Cc1cccs1 22a_100016993582_100000210189 [0,0,0,0,0,1|2,1,0]=4 698 B11R1.30 COCC(=O)Cc1c[nH]cn1 1458a_100000210968_100000707719 [0,0,0,0,0,1|3,0,0]=4 699 B11R1.30 COCC(=O)Cc1ccn[nH]1 1458a_100000210968_100000728653 [0,0,0,0,0,1|3,0,0]=4 700 B11R1.30 COCC(=O)Cc1ccon1 1458a_100000210968_100000234950 [0,0,0,0,0,1|3,0,0]=4 701 B11R1.30 COCC(=O)Cc1ccsc1 1458a_100000210968_100011233845 [0,0,0,0,0,1|3,0,0]=4 702 B11R1.30 COCC(=O)Cc1cncs1 1458a_100000210968_100015185245 [0,0,0,0,0,1|2,1,0]=4 703 B11R1.30 COCC(=O)Cc1cscn1 1458a_100000210968_100000205941 [0,0,0,0,0,1|3,0,0]=4 704 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,0,0,0,0,1|2,0,0]=3 705 B11R1.30 COCC(=O)Cc1nccs1 1458a_100000210968_100015184050 [0,0,0,0,0,1|2,1,0]=4 706 B11R1.30 COCC(C)Sc1ccco1 62a_100000765312_100009814098 [0,0,0,0,0,1|2,0,1]=4 707 B11R1.30 COCC(C)Sc1ccco1 62a_100009814098_100000765312 [0,0,0,0,0,1|2,0,1]=4 708 B11R1.30 COCN(C)Cc1ccco1 2230a_100000185268_100000766300 [0,0,0,0,0,1|3,0,0]=4 709 B11R1.30 COCN(C)Cc1ccco1 269982a_100000185268_100000766300 [0,0,0,0,0,1|3,0,0]=4 710 B11R1.30 CSCC(=O)Cc1c[nH]cn1 1458a_100000184570_100000707719 [0,0,0,0,0,1|3,0,0]=4 711 B11R1.30 CSCC(=O)Cc1ccn[nH]1 1458a_100000184570_100000728653 [0,0,0,0,0,1|3,0,0]=4 712 B11R1.30 CSCC(=O)Cc1ccon1 1458a_100000184570_100000234950 [0,0,0,0,0,1|3,0,0]=4 713 B11R1.30 CSCC(=O)Cc1ccsc1 1458a_100000184570_100011233845 [0,0,0,0,0,1|3,0,0]=4 714 B11R1.30 CSCC(=O)Cc1cncs1 1458a_100000184570_100015185245 [0,0,0,0,0,1|2,1,0]=4 715 B11R1.30 CSCC(=O)Cc1cscn1 1458a_100000184570_100000205941 [0,0,0,0,0,1|3,0,0]=4 716 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [0,0,0,0,0,1|2,0,0]=3 717 B11R1.30 CSCC(=O)Cc1nccs1 1458a_100000184570_100015184050 [0,0,0,0,0,1|2,1,0]=4 718 B11R1.30 CSCC(=O)Nc1ccon1 62a_100000239699_200000210301 [0,0,0,0,0,1|3,0,0]=4 719 B11R1.30 CSCC(=O)Nc1ccon1 62a_200000210301_100000239699 [0,0,0,0,0,1|3,0,0]=4 720 B11R1.30 CSCC(=O)Nc1nccs1 62a_100000183294_200000210301 [0,0,0,0,0,1|2,1,0]=4 721 B11R1.30 CSCC(=O)Nc1nccs1 62a_200000210301_100000183294 [0,0,0,0,0,1|2,1,0]=4 722 B11R1.30 CSCN(C)Cc1ccco1 2230a_100000185268_100011218213 [0,0,0,0,0,1|3,0,0]=4 723 B11R1.30 CSCN(C)Cc1ccco1 269982a_100000185268_100011218213 [0,0,0,0,0,1|3,0,0]=4 724 B11R1.30 N#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011214920 [0,0,0,0,0,1|2,0,1]=4 725 B11R1.30 N#CCC(=O)Cc1ccco1 1458a_100011217309_100011214920 [0,0,0,0,0,1|1,0,1]=3 726 B11R1.30 N#CCC(=O)Cc1cccs1 1458a_100000210189_100011214920 [0,0,0,0,0,1|1,1,1]=4 727 B11R1.30 N#CCC(=O)Cc1ncco1 1458a_100051588842_103436540062 [0,0,0,0,0,1|2,0,1]=4 728 B11R1.30 O=C(CCF)Cc1c[nH]cn1 1458a_100015291406_100011217306 [0,0,0,0,0,1|3,0,0]=4 729 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,0,0,0,0,1|2,0,0]=3 730 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,0,0,0,0,1|1,0,0]=2 731 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,0,0,0,0,1|1,1,0]=3 732 B11R1.30 O=C(CCF)Cc1ccn[nH]1 1458a_100000752941_100011217306 [0,0,0,0,0,1|3,0,0]=4 733 B11R1.30 O=C(CCF)Cc1ccoc1 1458a_100000684892_100011217306 [0,0,0,0,0,1|3,0,0]=4 734 B11R1.30 O=C(CCF)Cc1ccsc1 1458a_100000184062_100011217306 [0,0,0,0,0,1|3,0,0]=4 735 B11R1.30 O=C(CCF)Cc1cscn1 1458a_100011438297_100011217306 [0,0,0,0,0,1|3,0,0]=4 736 B11R1.30 O=C(CCF)Cn1cccc1 1458a_100011196272_100011217306 [0,0,0,0,0,1|3,0,0]=4 737 B11R1.30 O=C(CCF)Cn1cccn1 1458a_100000233772_100011217306 [0,0,0,0,0,1|3,0,0]=4 738 B11R1.30 O=C(CCO)Cc1c[nH]cn1 1458a_100011216618_100000707719 [0,0,0,0,0,1|3,0,0]=4 739 B11R1.30 O=C(CCO)Cc1c[nH]cn1 1458a_100015291406_100000211926 [0,0,0,0,0,1|3,0,0]=4 740 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,0,0,0,0,1|2,0,0]=3 741 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,0,0,0,0,1|1,0,0]=2 742 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,0,0,0,0,1|1,1,0]=3 743 B11R1.30 O=C(CCO)Cc1ccn[nH]1 1458a_100000752941_100000211926 [0,0,0,0,0,1|3,0,0]=4 744 B11R1.30 O=C(CCO)Cc1ccn[nH]1 1458a_100011216618_100000728653 [0,0,0,0,0,1|3,0,0]=4 745 B11R1.30 O=C(CCO)Cc1ccoc1 1458a_100000684892_100000211926 [0,0,0,0,0,1|3,0,0]=4 746 B11R1.30 O=C(CCO)Cc1ccon1 1458a_100011216618_100000234950 [0,0,0,0,0,1|3,0,0]=4 747 B11R1.30 O=C(CCO)Cc1ccsc1 1458a_100000184062_100000211926 [0,0,0,0,0,1|3,0,0]=4 748 B11R1.30 O=C(CCO)Cc1ccsc1 1458a_100011216618_100011233845 [0,0,0,0,0,1|3,0,0]=4 749 B11R1.30 O=C(CCO)Cc1cncs1 1458a_100011216618_100015185245 [0,0,0,0,0,1|2,1,0]=4 750 B11R1.30 O=C(CCO)Cc1cscn1 1458a_100011216618_100000205941 [0,0,0,0,0,1|3,0,0]=4 751 B11R1.30 O=C(CCO)Cc1cscn1 1458a_100011438297_100000211926 [0,0,0,0,0,1|3,0,0]=4 752 B11R1.30 O=C(CCO)Cc1ncco1 1458a_100011216618_103436540062 [0,0,0,0,0,1|2,0,0]=3 753 B11R1.30 O=C(CCO)Cc1nccs1 1458a_100011216618_100015184050 [0,0,0,0,0,1|2,1,0]=4 754 B11R1.30 O=C(CCO)Cn1cccc1 1458a_100011196272_100000211926 [0,0,0,0,0,1|3,0,0]=4 755 B11R1.30 O=C(CCO)Cn1cccn1 1458a_100000233772_100000211926 [0,0,0,0,0,1|3,0,0]=4 756 B11R1.30 [13CH3]N(CCO)Cc1ccco1 2230a_100000200452_200025704644 [0,0,0,0,0,1|3,0,0]=4 757 B11R1.30 [13CH3]N(CCO)Cc1ccco1 269982a_100000200452_200025704644 [0,0,0,0,0,1|3,0,0]=4 758 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_100000239699_200025704644 [0,0,0,0,0,1|3,0,0]=4 759 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_200025704644_100000239699 [0,0,0,0,0,1|3,0,0]=4 760 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_100000183294_200025704644 [0,0,0,0,0,1|2,1,0]=4 761 B11R1.30 [13CH3]SCC(=O)Nc1nccs1 62a_200025704644_100000183294 [0,0,0,0,0,1|2,1,0]=4 762 B8R0.1 C#CCC(=O)C=CC=C 1458a_100016291481_100000184674 [1,0,1,0,0,0|0,0,2]=4 763 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,1,0,0,0|0,0,2]=4 764 B8R0.1 C=CC=CC(=O)CC#N 1458a_100016291481_100011214920 [1,0,1,0,0,0|1,0,1]=4 765 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|0,0,2]=4 766 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,1,0,0,0|0,0,0]=2 767 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [1,0,1,0,0,0|1,0,0]=3 768 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,1,0,0,0|1,0,0]=3 769 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [1,0,1,0,0,0|2,0,0]=4 770 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,1,0,0,0|0,0,2]=4 771 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,1,0,0,0|0,0,2]=4 772 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,0,1,0,0,0|1,0,1]=4 773 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,0,1,0,0,0|1,0,1]=4 774 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,0,1,0,0,0|1,0,1]=4 775 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [1,0,1,0,0,0|1,0,1]=4 776 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [1,0,1,0,0,0|1,0,1]=4 777 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [1,0,1,0,0,0|1,0,1]=4 778 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [1,0,1,0,0,0|1,0,1]=4 779 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [1,0,1,0,0,0|1,0,1]=4 780 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [1,0,1,0,0,0|1,0,1]=4 781 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [1,0,1,0,0,0|1,0,1]=4 782 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [1,0,1,0,0,0|1,0,1]=4 783 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,1,0,0,0|0,0,2]=4 784 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,1,0,0,0|0,0,2]=4 785 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,0,1,0,0,0|0,0,2]=4 786 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,0,1,0,0,0|1,0,1]=4 787 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,0,1,0,0,0|1,0,0]=3 788 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [1,0,1,0,0,0|2,0,0]=4 789 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,0,1,0,0,0|2,0,0]=4 790 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,0,1,0,0,0|2,0,0]=4 791 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,0,1,0,0,0|2,0,0]=4 792 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [1,0,1,0,0,0|0,0,2]=4 793 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,0,1,0,0,0|0,0,2]=4 794 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [1,0,1,0,0,0|0,0,2]=4 795 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [2,0,0,0,0,0|1,0,0]=3 796 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [2,0,0,0,0,0|1,1,0]=4 797 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [2,0,0,0,0,0|2,0,0]=4 798 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [2,0,0,0,0,0|2,0,0]=4 799 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [2,0,0,0,0,0|0,0,2]=4 800 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [2,0,0,0,0,0|0,0,1]=3 801 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [2,0,0,0,0,0|0,1,1]=4 802 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [2,0,0,0,0,0|1,0,1]=4 803 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [2,0,0,0,0,0|1,0,1]=4 804 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [2,0,0,0,0,0|1,0,0]=3 805 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [2,0,0,0,0,0|1,0,0]=3 806 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [2,0,0,0,0,0|1,1,0]=4 807 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [2,0,0,0,0,0|1,1,0]=4 808 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [2,0,0,0,0,0|2,0,0]=4 809 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [2,0,0,0,0,0|2,0,0]=4 810 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [2,0,0,0,0,0|2,0,0]=4 811 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [2,0,0,0,0,0|2,0,0]=4 812 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [2,0,0,0,0,0|1,0,0]=3 813 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 814 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [2,0,0,0,0,0|1,0,0]=3 815 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 816 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [2,0,0,0,0,0|1,1,0]=4 817 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [2,0,0,0,0,0|1,1,0]=4 818 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [2,0,0,0,0,0|1,1,0]=4 819 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [2,0,0,0,0,0|2,0,0]=4 820 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [2,0,0,0,0,0|2,0,0]=4 821 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 822 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [2,0,0,0,0,0|2,0,0]=4 823 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [2,0,0,0,0,0|2,0,0]=4 824 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 825 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [2,0,0,0,0,0|1,0,0]=3 826 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [2,0,0,0,0,0|1,1,0]=4 827 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [2,0,0,0,0,0|2,0,0]=4 828 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [2,0,0,0,0,0|2,0,0]=4 829 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [2,0,0,0,0,0|2,0,0]=4 830 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [2,0,0,0,0,0|2,0,0]=4 831 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [2,0,0,0,0,0|2,0,0]=4 832 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [2,0,0,0,0,0|2,0,0]=4 833 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [2,0,0,0,0,0|2,0,0]=4 834 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 835 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 836 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [2,0,0,0,0,0|1,1,0]=4 837 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [2,0,0,0,0,0|2,0,0]=4 838 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [2,0,0,0,0,0|1,0,0]=3 839 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [2,0,0,0,0,0|1,1,0]=4 840 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [2,0,0,0,0,0|2,0,0]=4 841 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [2,0,0,0,0,0|2,0,0]=4 842 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [2,0,0,0,0,0|2,0,0]=4 843 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [2,0,0,0,0,0|2,0,0]=4 844 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,1,1,0,0,0|0,0,2]=4 845 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [0,1,1,0,0,0|0,0,2]=4 846 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,1,1,0,0,0|1,0,1]=4 847 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,1,1,0,0,0|1,0,1]=4 848 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,1,1,0,0,0|1,0,1]=4 849 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,1,1,0,0,0|1,0,1]=4 850 B10R0.3 C=C(C)C=NNC(=O)CCC 4a_100000189770_100000210575 [0,1,1,0,0,0|2,0,0]=4 851 B10R0.3 CCCC(=O)C/C=C/B(O)O 1458a_100000211992_100016262062 [0,1,1,0,0,0|1,0,1]=4 852 B10R0.6 C/C=C/C=CC(=O)CC(C)C 1458a_100000185730_100000210624 [0,1,1,0,0,0|1,0,0]=3 853 B10R0.6 C/C=C/C=CC(=O)CC(C)O 1458a_100000185730_100011218427 [0,1,1,0,0,0|1,0,0]=3 854 B10R0.6 C/C=C/C=CC(=O)CC(F)F 1458a_100000185730_100011934356 [0,1,1,0,0,0|2,0,0]=4 855 B10R0.6 C/C=C/C=CC(=O)NC(C)C 11a_100138425928_100000185730 [0,1,1,0,0,0|2,0,0]=4 856 B10R0.6 C/C=C/C=CC(=O)NC(C)C 1626a_100138425928_100000185730 [0,1,1,0,0,0|2,0,0]=4 857 B10R0.6 C/C=C/C=CC(=O)NC(C)C 240690a_100138425928_100000185730 [0,1,1,0,0,0|2,0,0]=4 858 B10R0.6 C=C(C)CC(=O)C=C/C=C/C 1458a_100000185730_100000748629 [0,1,1,0,0,0|1,0,1]=4 859 B10R0.83 C/C=C/C=CC(=O)C(C)CC 1458a_100000185730_100000758301 [0,1,1,0,0,0|1,0,0]=3 860 B10R0.83 C/C=C/C=CC(=O)N(C)CC 11a_100000225621_100000185730 [0,1,1,0,0,0|2,0,0]=4 861 B10R0.83 C/C=C/C=CC(=O)N(C)CC 1626a_100000225621_100000185730 [0,1,1,0,0,0|2,0,0]=4 862 B10R0.83 C/C=C/C=CC(=O)N(C)CC 240690a_100000225621_100000185730 [0,1,1,0,0,0|2,0,0]=4 863 B10R0.91 C#CCCC(=O)C=C/C=C/C 1458a_100000185730_100000753159 [0,1,1,0,0,0|1,0,1]=4 864 B10R0.91 C/C=C/C=CC(=O)C/C=C/C 1458a_100000185730_100102629194 [0,1,1,0,0,0|1,0,1]=4 865 B10R0.91 C/C=C/C=CC(=O)CCC#N 1458a_100000185730_100011215226 [0,1,1,0,0,0|1,0,1]=4 866 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [0,1,1,0,0,0|1,0,0]=3 867 B10R0.91 C/C=C/C=CC(=O)CCCF 1458a_100000185730_100011934791 [0,1,1,0,0,0|1,0,0]=3 868 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [0,1,1,0,0,0|1,0,0]=3 869 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [0,1,1,0,0,0|1,0,0]=3 870 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [0,1,1,0,0,0|1,0,0]=3 871 B10R0.91 C/C=C/C=CC(=O)NCCC 11a_100020643023_100000185730 [0,1,1,0,0,0|1,0,0]=3 872 B10R0.91 C/C=C/C=CC(=O)NCCC 1626a_100020643023_100000185730 [0,1,1,0,0,0|1,0,0]=3 873 B10R0.91 C/C=C/C=CC(=O)NCCC 240690a_100020643023_100000185730 [0,1,1,0,0,0|1,0,0]=3 874 B10R0.91 C/C=C/C=CC(=O)NCCF 11a_100000724931_100000185730 [0,1,1,0,0,0|2,0,0]=4 875 B10R0.91 C/C=C/C=CC(=O)NCCF 1626a_100000724931_100000185730 [0,1,1,0,0,0|2,0,0]=4 876 B10R0.91 C/C=C/C=CC(=O)NCCF 240690a_100000724931_100000185730 [0,1,1,0,0,0|2,0,0]=4 877 B10R0.91 C/C=C/C=CC(=O)NCCO 240690a_100000210304_100000185730 [0,1,1,0,0,0|2,0,0]=4 878 B10R0.91 C/C=C/C=CC(=O)NNCC 22a_100000756455_100000185730 [0,1,1,0,0,0|2,0,0]=4 879 B10R0.91 C=CCCC(=O)C=C/C=C/C 1458a_100000185730_100000754431 [0,1,1,0,0,0|1,0,1]=4 880 B10R0.91 C=CCOCC(=O)NCCC 34a_200000210373_100000183358 [0,1,1,0,0,0|0,0,2]=4 881 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [0,1,1,0,0,0|0,0,2]=4 882 B10R0.91 CC#CCC(=O)C=C/C=C/C 1458a_100000185730_100000748600 [0,1,1,0,0,0|1,0,1]=4 883 B10R0.91 CC=CCC(=O)C=C/C=C/C 1458a_100000185730_100000070051 [0,1,1,0,0,0|1,0,1]=4 884 B10R0.108 C=CC(=NNC(=O)CCC)C 4a_100000189770_200015361842 [0,1,1,0,0,0|2,0,0]=4 885 B10R0.108 C=CC(=O)COC(=O)CCC 1458a_100000185746_100000034017 [0,1,1,0,0,0|2,0,0]=4 886 B10R0.108 C=CC(=O)NCC(=O)CCC 1458a_200011222540_100000210303 [0,1,1,0,0,0|1,0,1]=4 887 B10R0.108 C=CC(=O)NNC(=O)CCC 22a_100000189770_100000185746 [0,1,1,0,0,0|2,0,0]=4 888 B10R0.108 CC=C(C)C=CC(=O)CCC 1458a_100000692105_100000210303 [0,1,1,0,0,0|1,0,0]=3 889 B10R0.108 CC=C(C)C=CC(=O)CCF 1458a_100000692105_100011217306 [0,1,1,0,0,0|2,0,0]=4 890 B10R0.108 CC=C(C)C=CC(=O)CCO 1458a_100000692105_100000211926 [0,1,1,0,0,0|2,0,0]=4 891 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,1,1,0,0,0|2,0,0]=4 892 B10R1.6 CNS(=O)(=O)c1ccco1 270084a_100102657272_200000702926 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.6 CNS(=O)(=O)c1ccco1 274078a_100102657272_200000702926 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.9 CCC(NC)c1ccco1 2230a_100015202707_200000210301 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.9 CCC(NC)c1ccco1 269862a_106832991636_100000749595 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.9 CCC(N[13CH3])c1ccco1 2230a_100015202707_200025704644 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [1,1,0,0,0,0|0,1,0]=3 898 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [1,1,0,0,0,0|1,0,0]=3 899 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [1,1,0,0,0,0|1,1,0]=4 900 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [1,1,0,0,0,0|1,0,0]=3 901 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [1,1,0,0,0,0|1,1,0]=4 902 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [1,1,0,0,0,0|1,1,0]=4 905 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [1,1,0,0,0,0|1,0,1]=4 907 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [1,1,0,0,0,0|1,0,0]=3 909 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [1,1,0,0,0,0|1,1,0]=4 910 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [1,1,0,0,0,0|0,1,1]=4 911 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [1,1,0,0,0,0|0,1,1]=4 912 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [1,1,0,0,0,0|0,1,1]=4 913 B10R1.16 CCCSc1cc(cs1)C 62a_100000210303_100009876951 [1,1,0,0,0,0|1,1,0]=4 914 B10R1.16 CCCSc1cc(cs1)C 62a_100009876951_100000210303 [1,1,0,0,0,0|1,1,0]=4 915 B10R1.16 CCCSc1ccc(s1)Br 62a_100000210303_100010197418 [1,1,0,0,0,0|1,1,0]=4 916 B10R1.16 CCCSc1ccc(s1)Br 62a_100010197418_100000210303 [1,1,0,0,0,0|1,1,0]=4 917 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [1,1,0,0,0,0|1,1,0]=4 918 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [1,1,0,0,0,0|1,1,0]=4 919 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [1,1,0,0,0,0|1,0,1]=4 920 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [1,1,0,0,0,0|1,0,1]=4 921 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [1,1,0,0,0,0|1,0,1]=4 922 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [1,1,0,0,0,0|1,0,1]=4 932 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [1,1,0,0,0,0|1,0,1]=4 933 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [1,1,0,0,0,0|1,0,1]=4 936 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [1,1,0,0,0,0|1,0,1]=4 937 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [1,1,0,0,0,0|1,0,1]=4 938 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [1,1,0,0,0,0|1,0,1]=4 939 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [1,1,0,0,0,0|1,0,1]=4 940 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [1,1,0,0,0,0|1,0,1]=4 941 B10R1.21 C#CCCSc1ccco1 62a_100000688953_100009814098 [1,1,0,0,0,0|1,0,1]=4 942 B10R1.21 C#CCCSc1ccco1 62a_100009814098_100000688953 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [1,1,0,0,0,0|1,0,1]=4 944 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.21 CCCC=Cc1c[nH]cn1 271570a_100016258520_100000756875 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.21 CCCC=Cc1cc[nH]n1 271570a_100016258520_100000062575 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,1,0,0,0,0|0,0,0]=2 954 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [1,1,0,0,0,0|0,1,0]=3 955 B10R1.21 CCCC=Cc1ccoc1 271570a_100016258520_100011215275 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.21 CCCC=Cc1ccsc1 271570a_100016258520_100000738268 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.21 CCCC=Cc1ccsn1 271570a_100016258520_100009818082 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [1,1,0,0,0,0|1,0,0]=3 959 B10R1.21 CCCC=Cc1cncs1 271570a_100016258520_100011934649 [1,1,0,0,0,0|1,1,0]=4 960 B10R1.21 CCCC=Cc1cscn1 271570a_100016258520_100000751502 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.21 CCCC=Cc1ncc[nH]1 271570a_100016258520_100025796157 [1,1,0,0,0,0|2,0,0]=4 962 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [1,1,0,0,0,0|1,0,0]=3 963 B10R1.21 CCCC=Cc1nccs1 271570a_100016258520_100000211983 [1,1,0,0,0,0|1,1,0]=4 964 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,1,0,0,0,0|0,0,1]=3 965 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,1,0,0,0,0|0,0,1]=3 966 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [1,1,0,0,0,0|0,1,1]=4 967 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [1,1,0,0,0,0|0,1,1]=4 968 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [1,1,0,0,0,0|1,0,1]=4 971 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [1,1,0,0,0,0|1,0,1]=4 972 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,1,0,0,0,0|0,0,1]=3 973 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,1,0,0,0,0|0,0,1]=3 974 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,1,0,0,0,0|0,0,1]=3 975 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,1,0,0,0,0|0,0,1]=3 976 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [1,1,0,0,0,0|0,1,1]=4 977 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [1,1,0,0,0,0|0,1,1]=4 978 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [1,1,0,0,0,0|0,1,1]=4 979 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,1,0,0,0,0|0,0,1]=3 983 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,1,0,0,0,0|0,1,1]=4 984 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [1,1,0,0,0,0|1,0,1]=4 989 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,1,0,0,0,0|0,0,1]=3 990 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,1,0,0,0,0|0,0,1]=3 991 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [1,1,0,0,0,0|0,1,1]=4 992 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [1,1,0,0,0,0|0,1,1]=4 993 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [1,1,0,0,0,0|0,1,1]=4 994 B10R1.21 CCNN=Cc1ccc[nH]1 4a_100000756455_100000211237 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [1,1,0,0,0,0|1,0,0]=3 996 B10R1.21 CCNN=Cc1cccs1 4a_100000756455_100000209959 [1,1,0,0,0,0|1,1,0]=4 997 B10R1.21 CCNN=Cc1cnco1 4a_100000756455_100000064291 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.21 CCNN=Cc1ncco1 4a_100000756455_100000064290 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [1,1,0,0,0,0|0,0,1]=3 1000 B10R1.21 CCOC=Cc1cccs1 271570a_100016256518_100011215356 [1,1,0,0,0,0|0,1,1]=4 1001 B10R1.21 CCOC=Cc1cnco1 271570a_100016256518_100020591547 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.21 CCOC=Cc1ncco1 271570a_100016256518_100011787736 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,1,0,0,0,0|0,1,1]=4 1004 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,1,0,0,0,0|0,1,1]=4 1005 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,1,0,0,0,0|0,1,1]=4 1006 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [1,1,0,0,0,0|1,0,0]=3 1007 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [1,1,0,0,0,0|1,1,0]=4 1009 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [1,1,0,0,0,0|1,1,0]=4 1010 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [1,1,0,0,0,0|0,1,1]=4 1015 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [1,1,0,0,0,0|0,1,1]=4 1016 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [1,1,0,0,0,0|0,0,1]=3 1017 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [1,1,0,0,0,0|0,1,1]=4 1018 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [1,1,0,0,0,0|0,1,1]=4 1019 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [1,1,0,0,0,0|0,1,1]=4 1020 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [1,1,0,0,0,0|0,0,1]=3 1021 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [1,1,0,0,0,0|0,1,1]=4 1022 B10R1.21 COCC=Cc1cnco1 271570a_100016286323_100020591547 [1,1,0,0,0,0|1,0,1]=4 1023 B10R1.21 COCC=Cc1ncco1 271570a_100016286323_100011787736 [1,1,0,0,0,0|1,0,1]=4 1024 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [1,1,0,0,0,0|0,1,1]=4 1025 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [1,1,0,0,0,0|0,1,1]=4 1026 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [1,1,0,0,0,0|0,1,1]=4 1027 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [1,1,0,0,0,0|1,1,0]=4 1030 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [1,1,0,0,0,0|1,1,0]=4 1031 B10R1.21 COCCSc1cnco1 62a_100000233755_100020591547 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.21 COCCSc1cnco1 62a_100020591547_100000233755 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.21 COCCSc1ncco1 62a_100000233755_100011787736 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.21 COCCSc1ncco1 62a_100011787736_100000233755 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [1,1,0,0,0,0|1,0,1]=4 1036 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [1,1,0,0,0,0|0,1,1]=4 1037 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [1,1,0,0,0,0|0,1,1]=4 1038 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [1,1,0,0,0,0|1,1,0]=4 1041 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [1,1,0,0,0,0|1,1,0]=4 1042 B10R1.21 CSCCSc1cnco1 62a_100000212216_100020591547 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.21 CSCCSc1cnco1 62a_100020591547_100000751147 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.21 CSCCSc1ncco1 62a_100000212216_100011787736 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.21 CSCCSc1ncco1 62a_100011787736_100000751147 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [1,1,0,0,0,0|1,0,1]=4 1047 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [1,1,0,0,0,0|1,0,1]=4 1048 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [1,1,0,0,0,0|1,0,1]=4 1049 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [1,1,0,0,0,0|1,0,0]=3 1050 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [1,1,0,0,0,0|1,1,0]=4 1052 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [1,1,0,0,0,0|1,1,0]=4 1053 B10R1.21 FCCCSc1cnco1 62a_100011934791_100020591547 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.21 FCCCSc1cnco1 62a_100020591547_100011934791 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.21 FCCCSc1ncco1 62a_100011787736_100011934791 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.21 FCCCSc1ncco1 62a_100011934791_100011787736 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [1,1,0,0,0,0|1,0,1]=4 1058 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [1,1,0,0,0,0|1,0,1]=4 1059 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [1,1,0,0,0,0|1,0,1]=4 1060 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [1,1,0,0,0,0|1,0,1]=4 1061 B10R1.21 N#CCCSc1ccco1 62a_100009814098_100011215226 [1,1,0,0,0,0|1,0,1]=4 1062 B10R1.21 N#CCCSc1ccco1 62a_100011215226_100009814098 [1,1,0,0,0,0|1,0,1]=4 1063 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [1,1,0,0,0,0|1,1,0]=4 1066 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [1,1,0,0,0,0|1,1,0]=4 1067 B10R1.21 OCCCSc1cnco1 62a_100011215043_100020591547 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.21 OCCCSc1cnco1 62a_100020591547_100011215043 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.21 OCCCSc1ncco1 62a_100011215043_100011787736 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.21 OCCCSc1ncco1 62a_100011787736_100011215043 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [1,1,0,0,0,0|1,0,1]=4 1073 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [1,1,0,0,0,0|1,0,1]=4 1074 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [1,1,0,0,0,0|1,0,1]=4 1075 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [1,1,0,0,0,0|1,0,1]=4 1076 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [1,1,0,0,0,0|0,1,1]=4 1077 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [1,1,0,0,0,0|0,1,1]=4 1078 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [1,1,0,0,0,0|0,1,1]=4 1079 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [1,1,0,0,0,0|0,1,1]=4 1080 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [1,1,0,0,0,0|1,0,1]=4 1082 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [1,1,0,0,0,0|0,0,2]=4 1084 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [1,1,0,0,0,0|1,0,0]=3 1085 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [1,1,0,0,0,0|1,0,0]=3 1086 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [1,1,0,0,0,0|1,1,0]=4 1087 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [1,1,0,0,0,0|1,1,0]=4 1088 B10R1.27 CCC(C)Sc1cnco1 62a_100000758301_100020591547 [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.27 CCC(C)Sc1cnco1 62a_100020591547_100000758301 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.27 CCC(C)Sc1ncco1 62a_100000758301_100011787736 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.27 CCC(C)Sc1ncco1 62a_100011787736_100000758301 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [1,1,0,0,0,0|1,0,1]=4 1093 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [1,1,0,0,0,0|1,0,1]=4 1094 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [1,1,0,0,0,0|1,0,1]=4 1095 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [1,1,0,0,0,0|1,0,1]=4 1097 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [1,1,0,0,0,0|0,1,1]=4 1106 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [1,1,0,0,0,0|0,1,1]=4 1107 B10R1.29 CCCSc1sccc1Br 62a_100000210303_100012361411 [1,1,0,0,0,0|1,1,0]=4 1108 B10R1.29 CCCSc1sccc1Br 62a_100012361411_100000210303 [1,1,0,0,0,0|1,1,0]=4 1109 B10R1.29 CCCSc1sccc1C 62a_100000210303_100010247149 [1,1,0,0,0,0|1,1,0]=4 1110 B10R1.29 CCCSc1sccc1C 62a_100010247149_100000210303 [1,1,0,0,0,0|1,1,0]=4 1111 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [1,1,0,0,0,0|1,0,1]=4 1112 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [1,1,0,0,0,0|1,0,1]=4 1113 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [1,1,0,0,0,0|1,0,1]=4 1114 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [1,1,0,0,0,0|1,0,1]=4 1115 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [1,1,0,0,0,0|1,0,1]=4 1116 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,1,0,0,0,0|0,0,2]=4 1119 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [1,1,0,0,0,0|0,0,1]=3 1120 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [1,1,0,0,0,0|0,1,1]=4 1121 B10R1.66 CC(C)C=Cc1cnco1 271570a_100016257149_100020591547 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.66 CC(C)C=Cc1ncco1 271570a_100016257149_100011787736 [1,1,0,0,0,0|1,0,1]=4 1123 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [1,1,0,0,0,0|1,0,0]=3 1125 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [1,1,0,0,0,0|1,1,0]=4 1126 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [1,1,0,0,0,0|1,1,0]=4 1127 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [1,1,0,0,0,0|1,0,1]=4 1134 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [1,1,0,0,0,0|1,0,1]=4 1135 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [1,1,0,0,0,0|0,0,1]=3 1136 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [1,1,0,0,0,0|0,1,1]=4 1137 B10R1.66 CC(O)C=Cc1cnco1 271570a_200011019289_100020591547 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.66 CC(O)C=Cc1ncco1 271570a_200011019289_100011787736 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [1,1,0,0,0,0|1,1,0]=4 1142 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [1,1,0,0,0,0|1,1,0]=4 1143 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [1,1,0,0,0,0|1,0,0]=3 1148 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [1,1,0,0,0,0|1,1,0]=4 1150 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [1,1,0,0,0,0|1,1,0]=4 1151 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,1,0,0,0,0|0,0,2]=4 1158 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,1,0,0,0,1|1,0,0]=3 1159 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,1,0,0,0,1|1,0,0]=3 1160 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,1,0,0,0,1|1,0,0]=3 1161 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,1,0,0,0,1|1,0,0]=3 1162 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,1,0,0,0,1|1,0,0]=3 1163 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,1,0,0,0,1|1,0,0]=3 1164 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,1,0,0,0,1|1,0,0]=3 1165 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [0,1,0,0,0,1|1,0,0]=3 1166 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [0,1,0,0,0,1|2,0,0]=4 1167 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [0,1,0,0,0,1|2,0,0]=4 1168 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [0,1,0,0,0,1|2,0,0]=4 1169 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [0,1,0,0,0,1|2,0,0]=4 1170 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [0,1,0,0,0,1|2,0,0]=4 1171 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [0,1,0,0,0,1|2,0,0]=4 1172 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [0,1,0,0,0,1|2,0,0]=4 1174 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [0,1,0,0,0,1|2,0,0]=4 1175 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [0,1,0,0,0,1|2,0,0]=4 1176 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [0,1,0,0,0,1|2,0,0]=4 1177 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [0,1,0,0,0,1|2,0,0]=4 1178 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [0,1,0,0,0,1|2,0,0]=4 1179 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [0,1,0,0,0,1|2,0,0]=4 1180 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [0,1,0,0,0,1|2,0,0]=4 1181 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [0,1,0,0,0,1|2,0,0]=4 1182 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.16 CCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781264 [0,1,0,0,0,1|2,0,0]=4 1185 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [0,1,0,0,0,1|2,0,0]=4 1186 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,1,0,0,0,1|2,0,0]=4 1187 B12R1.16 CCOC(=O)c1ccc(cn1)O 271570a_203496583355_100011781174 [0,1,0,0,0,1|2,0,0]=4 1188 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [0,1,0,0,0,1|2,0,0]=4 1189 B12R1.16 CCOC(=O)c1ccc(nn1)O 271570a_203496583355_100011933454 [0,1,0,0,0,1|2,0,0]=4 1190 B12R1.16 CCOC(=O)c1cnc(cn1)O 271570a_203496583355_100000707868 [0,1,0,0,0,1|2,0,0]=4 1191 B12R1.16 CCOC(=O)c1ncc(cn1)O 271570a_203496583355_100010168878 [0,1,0,0,0,1|2,0,0]=4 1192 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,1,0,0,0,1|2,0,0]=4 1193 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,1,0,0,0,1|2,0,0]=4 1194 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,1,0,0,0,1|2,0,0]=4 1195 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,1,0,0,0,1|2,0,0]=4 1196 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,1,0,0,0,1|2,0,0]=4 1197 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,1,0,0,0,1|2,0,0]=4 1199 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,1,0,0,0,1|2,0,0]=4 1200 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,1,0,0,0,1|2,0,0]=4 1203 B12R1.16 CNCC(=O)c1ccc(cn1)Cl 7a_106832991635_100016989621 [0,1,0,0,0,1|2,0,0]=4 1204 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,1,0,0,0,1|2,0,0]=4 1205 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,1,0,0,0,1|2,0,0]=4 1206 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,1,0,0,0,1|2,0,0]=4 1207 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,1,0,0,0,1|2,0,0]=4 1208 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,1,0,0,0,1|2,0,0]=4 1209 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,1,0,0,0,1|2,0,0]=4 1210 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [0,1,0,0,0,1|2,0,0]=4 1211 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,1,0,0,0,1|2,0,0]=4 1212 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,1,0,0,0,1|2,0,0]=4 1213 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,1,0,0,0,1|2,0,0]=4 1214 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,1,0,0,0,1|2,0,0]=4 1215 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [0,1,0,0,0,1|2,0,0]=4 1216 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [0,1,0,0,0,1|2,0,0]=4 1217 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [0,1,0,0,0,1|2,0,0]=4 1218 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [0,1,0,0,0,1|2,0,0]=4 1219 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,1,0,0,0,1|2,0,0]=4 1220 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,1,0,0,0,1|2,0,0]=4 1221 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_100016989621_200000210301 [0,1,0,0,0,1|2,0,0]=4 1222 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_200000210301_100016989621 [0,1,0,0,0,1|2,0,0]=4 1223 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_100012027583_200000210301 [0,1,0,0,0,1|2,0,0]=4 1224 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_200000210301_100012027583 [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_100009864725_200000210301 [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_200000210301_100009864725 [0,1,0,0,0,1|2,0,0]=4 1227 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,1,0,0,0,1|2,0,0]=4 1228 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,1,0,0,0,1|2,0,0]=4 1231 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_100012027583_200025704644 [0,1,0,0,0,1|2,0,0]=4 1232 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_200025704644_100012027583 [0,1,0,0,0,1|2,0,0]=4 1233 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,1,0,0,0,1|2,0,0]=4 1234 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,1,0,0,0,1|2,0,0]=4 1236 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,1,0,0,0,1|2,0,0]=4 1237 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,1,0,0,0,1|2,0,0]=4 1238 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,1,0,0,0,1|2,0,0]=4 1239 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,1,0,0,0,1|2,0,0]=4 1244 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,1,0,0,0,1|2,0,0]=4 1246 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,1,0,0,0,1|2,0,0]=4 1247 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [0,1,0,0,0,1|2,0,0]=4 1248 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [0,1,0,0,0,1|2,0,0]=4 1249 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [0,1,0,0,0,1|2,0,0]=4 1250 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [0,1,0,0,0,1|2,0,0]=4 1251 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,1,0,0,0,1|2,0,0]=4 1252 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,1,0,0,0,1|2,0,0]=4 1253 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_100016989621_200025704644 [0,1,0,0,0,1|2,0,0]=4 1254 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_200025704644_100016989621 [0,1,0,0,0,1|2,0,0]=4 1255 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_100009864725_200025704644 [0,1,0,0,0,1|2,0,0]=4 1256 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_200025704644_100009864725 [0,1,0,0,0,1|2,0,0]=4 1257 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,1,0,0,0,1|1,0,0]=3 1258 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,1,0,0,0,1|1,0,0]=3 1259 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,1,0,0,0,1|1,0,0]=3 1260 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,1,0,0,0,1|1,0,0]=3 1261 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,1,0,0,0,1|1,0,0]=3 1262 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,1,0,0,0,1|1,0,0]=3 1263 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [0,1,0,0,0,1|2,0,0]=4 1264 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [0,1,0,0,0,1|2,0,0]=4 1265 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [0,1,0,0,0,1|2,0,0]=4 1266 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [0,1,0,0,0,1|2,0,0]=4 1267 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,1,0,0,0,1|2,0,0]=4 1268 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,1,0,0,0,1|2,0,0]=4 1269 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,1,0,0,0,1|2,0,0]=4 1270 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [0,1,0,0,0,1|2,0,0]=4 1271 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [0,1,0,0,0,1|2,0,0]=4 1272 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [0,1,0,0,0,1|2,0,0]=4 1273 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [0,1,0,0,0,1|2,0,0]=4 1274 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [0,1,0,0,0,1|2,0,0]=4 1275 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [0,1,0,0,0,1|2,0,0]=4 1276 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [0,1,0,0,0,1|2,0,0]=4 1277 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [0,1,0,0,0,1|2,0,0]=4 1278 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [0,1,0,0,0,1|2,0,0]=4 1279 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,1,0,0,0,1|2,0,0]=4 1280 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,1,0,0,0,1|2,0,0]=4 1282 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [0,1,0,0,0,1|2,0,0]=4 1283 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,1,0,0,0,1|2,0,0]=4 1284 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [0,1,0,0,0,1|2,0,0]=4 1285 B12R1.17 CCOC(=O)c1cc(ncn1)O 271570a_203496583355_100009878719 [0,1,0,0,0,1|2,0,0]=4 1286 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,1,0,0,0,1|2,0,0]=4 1287 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [0,1,0,0,0,1|2,0,0]=4 1288 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [0,1,0,0,0,1|2,0,0]=4 1289 B12R1.17 CCOC(=O)c1ccnc(n1)O 271570a_203496583355_100000087789 [0,1,0,0,0,1|2,0,0]=4 1290 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [0,1,0,0,0,1|2,0,0]=4 1291 B12R1.17 CCOC(=O)c1cncc(n1)O 271570a_203496583355_100012185986 [0,1,0,0,0,1|2,0,0]=4 1292 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,1,0,0,0,1|2,0,0]=4 1293 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,1,0,0,0,1|2,0,0]=4 1294 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,1,0,0,0,1|2,0,0]=4 1295 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,1,0,0,0,1|2,0,0]=4 1296 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,1,0,0,0,1|2,0,0]=4 1297 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,1,0,0,0,1|2,0,0]=4 1298 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,1,0,0,0,1|2,0,0]=4 1299 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,1,0,0,0,1|2,0,0]=4 1300 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,1,0,0,0,1|2,0,0]=4 1301 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,1,0,0,0,1|2,0,0]=4 1302 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,1,0,0,0,1|2,0,0]=4 1303 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,1,0,0,0,1|2,0,0]=4 1304 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,1,0,0,0,1|2,0,0]=4 1305 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,1,0,0,0,1|2,0,0]=4 1306 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,1,0,0,0,1|2,0,0]=4 1307 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,1,0,0,0,1|2,0,0]=4 1308 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,1,0,0,0,1|2,0,0]=4 1309 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,1,0,0,0,1|2,0,0]=4 1310 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,1,0,0,0,1|2,0,0]=4 1311 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,1,0,0,0,1|2,0,0]=4 1312 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,1,0,0,0,1|2,0,0]=4 1313 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,1,0,0,0,1|2,0,0]=4 1314 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,1,0,0,0,1|2,0,0]=4 1315 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,1,0,0,0,1|2,0,0]=4 1316 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,1,0,0,0,1|2,0,0]=4 1317 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,1,0,0,0,1|2,0,0]=4 1318 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,1,0,0,0,1|2,0,0]=4 1319 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,1,0,0,0,1|2,0,0]=4 1320 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,1,0,0,0,1|2,0,0]=4 1321 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,1,0,0,0,1|2,0,0]=4 1322 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,1,0,0,0,1|2,0,0]=4 1323 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_100009817076_200000210301 [0,1,0,0,0,1|2,0,0]=4 1324 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_200000210301_100009817076 [0,1,0,0,0,1|2,0,0]=4 1325 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,1,0,0,0,1|2,0,0]=4 1326 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,1,0,0,0,1|2,0,0]=4 1327 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,1,0,0,0,1|2,0,0]=4 1328 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,1,0,0,0,1|2,0,0]=4 1329 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,1,0,0,0,1|2,0,0]=4 1330 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,1,0,0,0,1|2,0,0]=4 1331 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,1,0,0,0,1|2,0,0]=4 1332 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,1,0,0,0,1|2,0,0]=4 1333 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,1,0,0,0,1|2,0,0]=4 1334 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,1,0,0,0,1|2,0,0]=4 1335 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,1,0,0,0,1|2,0,0]=4 1336 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,1,0,0,0,1|2,0,0]=4 1337 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,1,0,0,0,1|2,0,0]=4 1338 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,1,0,0,0,1|2,0,0]=4 1339 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,1,0,0,0,1|2,0,0]=4 1340 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,1,0,0,0,1|2,0,0]=4 1341 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,1,0,0,0,1|2,0,0]=4 1342 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,1,0,0,0,1|2,0,0]=4 1343 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,1,0,0,0,1|2,0,0]=4 1344 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,1,0,0,0,1|2,0,0]=4 1345 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,1,0,0,0,1|2,0,0]=4 1346 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,1,0,0,0,1|2,0,0]=4 1347 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,1,0,0,0,1|2,0,0]=4 1348 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,1,0,0,0,1|2,0,0]=4 1349 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,1,0,0,0,1|2,0,0]=4 1350 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_100009817076_200025704644 [0,1,0,0,0,1|2,0,0]=4 1351 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_200025704644_100009817076 [0,1,0,0,0,1|2,0,0]=4 1352 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,1,0,0,0,1|1,0,1]=4 1353 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,1,0,0,0,1|1,0,1]=4 1354 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,1,0,0,0,1|1,0,1]=4 1355 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [0,1,0,0,0,1|1,0,1]=4 1356 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,1,0,0,0,1|1,0,1]=4 1357 B12R1.30 CCCCC(=O)C1=CCCCO1 1458a_100000764163_100000210211 [0,1,0,0,0,1|0,0,2]=4 1358 B12R1.30 CCCCC(=O)C1=COCCO1 1458a_100000008702_100000210211 [0,1,0,0,0,1|0,0,2]=4 1359 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,1,0,0,0,1|1,0,0]=3 1360 B12R1.30 CCCNC(=O)C1=CCCCO1 11a_100020643023_100000764163 [0,1,0,0,0,1|0,0,2]=4 1361 B12R1.30 CCCNC(=O)C1=CCCCO1 1626a_100020643023_100000764163 [0,1,0,0,0,1|0,0,2]=4 1362 B12R1.30 CCCNC(=O)C1=CCCCO1 240690a_100020643023_100000764163 [0,1,0,0,0,1|0,0,2]=4 1363 B12R1.30 CCCNC(=O)C1=CCCCO1 527a_100020643023_100000764163 [0,1,0,0,0,1|0,0,2]=4 1364 B12R1.30 CCCNC(=O)C1=COCCO1 11a_100020643023_100000008702 [0,1,0,0,0,1|0,0,2]=4 1365 B12R1.30 CCCNC(=O)C1=COCCO1 1626a_100020643023_100000008702 [0,1,0,0,0,1|0,0,2]=4 1366 B12R1.30 CCCNC(=O)C1=COCCO1 240690a_100020643023_100000008702 [0,1,0,0,0,1|0,0,2]=4 1367 B12R1.30 CCCNC(=O)C1=COCCO1 527a_100020643023_100000008702 [0,1,0,0,0,1|0,0,2]=4 1368 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,1,0,0,0,1|1,0,0]=3 1369 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,1,0,0,0,1|1,0,0]=3 1370 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,1,0,0,0,1|1,0,0]=3 1371 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,1,0,0,0,1|1,0,0]=3 1372 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,1,0,0,0,1|2,0,0]=4 1373 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,1,0,0,0,1|1,0,0]=3 1374 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,1,0,0,0,1|1,0,0]=3 1375 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,1,0,0,0,1|1,0,0]=3 1376 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [0,1,0,0,0,1|1,0,0]=3 1377 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [0,1,0,0,0,1|1,0,0]=3 1378 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [0,1,0,0,0,1|1,0,0]=3 1379 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [0,1,0,0,0,1|1,0,0]=3 1380 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [0,1,0,0,0,1|1,0,0]=3 1381 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [0,1,0,0,0,1|1,0,0]=3 1382 B12R1.30 CCSCC(=O)c1ncccn1 62a_100000210202_100020636365 [0,1,0,0,0,1|1,0,0]=3 1383 B12R1.30 CCSCC(=O)c1ncccn1 62a_100020636365_100000210202 [0,1,0,0,0,1|1,0,0]=3 1384 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,1,0,0,0,1|2,0,0]=4 1385 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,1,0,0,0,1|1,0,0]=3 1386 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,1,0,0,0,1|1,0,0]=3 1387 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,1,0,0,0,1|2,0,0]=4 1388 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,1,0,0,0,1|2,0,0]=4 1389 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,1,0,0,0,1|2,0,0]=4 1390 B12R1.30 COCCC(=O)C1=CCCCO1 1458a_100000764163_100000233755 [0,1,0,0,0,1|0,0,2]=4 1391 B12R1.30 COCCC(=O)C1=COCCO1 1458a_100000008702_100000233755 [0,1,0,0,0,1|0,0,2]=4 1392 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,1,0,0,0,1|1,0,0]=3 1393 B12R1.30 CSCCC(=O)C1=CCCCO1 1458a_100000764163_100000751147 [0,1,0,0,0,1|0,0,2]=4 1394 B12R1.30 CSCCC(=O)C1=COCCO1 1458a_100000008702_100000751147 [0,1,0,0,0,1|0,0,2]=4 1395 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,1,0,0,0,1|1,0,0]=3 1396 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,1,0,0,0,1|1,0,0]=3 1397 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,1,0,0,0,1|1,0,0]=3 1398 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,1,0,0,0,1|2,0,0]=4 1399 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,1,0,0,0,1|2,0,0]=4 1400 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,1,0,0,0,1|2,0,0]=4 1401 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,1,0,0,0,1|1,0,1]=4 1402 B12R1.30 O=C(CCCF)C1=CCCCO1 1458a_100000764163_100011934791 [0,1,0,0,0,1|0,0,2]=4 1403 B12R1.30 O=C(CCCF)C1=COCCO1 1458a_100000008702_100011934791 [0,1,0,0,0,1|0,0,2]=4 1404 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,1,0,0,0,1|1,0,0]=3 1405 B12R1.30 O=C(CCCO)C1=CCCCO1 1458a_100000764163_100011215043 [0,1,0,0,0,1|0,0,2]=4 1406 B12R1.30 O=C(CCCO)C1=COCCO1 1458a_100000008702_100011215043 [0,1,0,0,0,1|0,0,2]=4 1407 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,1,0,0,0,1|1,0,0]=3 1408 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,1,0,0,0,1|2,0,0]=4 1409 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,1,0,0,0,1|2,0,0]=4 1410 B12R1.30 O=C(CSCF)c1ccccn1 62a_100000027445_100015361967 [0,1,0,0,0,1|2,0,0]=4 1411 B12R1.30 O=C(CSCF)c1ccccn1 62a_100015361967_100000027445 [0,1,0,0,0,1|2,0,0]=4 1412 B12R1.30 O=C(CSCF)c1cccnc1 62a_100000757877_100015361967 [0,1,0,0,0,1|2,0,0]=4 1413 B12R1.30 O=C(CSCF)c1cccnc1 62a_100015361967_100000757877 [0,1,0,0,0,1|2,0,0]=4 1414 B12R1.30 O=C(CSCF)c1ccncc1 62a_100000027454_100015361967 [0,1,0,0,0,1|2,0,0]=4 1415 B12R1.30 O=C(CSCF)c1ccncc1 62a_100015361967_100000027454 [0,1,0,0,0,1|2,0,0]=4 1416 B12R1.30 O=C(CSCF)c1ncccn1 62a_100015361967_100020636365 [0,1,0,0,0,1|2,0,0]=4 1417 B12R1.30 O=C(CSCF)c1ncccn1 62a_100020636365_100015361967 [0,1,0,0,0,1|2,0,0]=4 1418 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,1,0,0,0,1|2,0,0]=4 1420 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,1,0,0,0,1|2,0,0]=4 1421 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,1,0,0,0,1|2,0,0]=4 1422 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,1,0,0,0,1|2,0,0]=4 1423 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,1,0,0,0,1|2,0,0]=4 1424 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,1,0,0,0,1|1,0,0]=3 1425 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,1,0,0,0,1|1,0,0]=3 1426 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,1,0,0,0,1|2,0,0]=4 1429 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,1,0,0,0,1|2,0,0]=4 1430 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,1,0,0,0,1|2,0,0]=4 1431 B12R1.34 CCC(C)C(=O)C1=CCCCO1 1458a_100000764163_100000758301 [0,1,0,0,0,1|0,0,2]=4 1432 B12R1.34 CCC(C)C(=O)C1=COCCO1 1458a_100000008702_100000758301 [0,1,0,0,0,1|0,0,2]=4 1433 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,1|1,0,0]=3 1434 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [0,1,0,0,0,1|2,0,0]=4 1435 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [0,1,0,0,0,1|2,0,0]=4 1436 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [0,1,0,0,0,1|2,0,0]=4 1437 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [0,1,0,0,0,1|2,0,0]=4 1438 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,0,0,0,1|2,0,0]=4 1439 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,0,0,0,1|2,0,0]=4 1440 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,1,0,0,0,1|2,0,0]=4 1441 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,1,0,0,0,1|2,0,0]=4 1442 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,1,0,0,0,1|1,0,1]=4 1443 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,1|1,0,1]=4 1444 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,1|1,0,1]=4 1445 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,1,0,0,0,1|1,0,1]=4 1446 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,1,0,0,0,1|1,0,1]=4 1447 B12R1.107 CC(=O)CC(=O)c1ncccn1 1458a_100000070787_100020636365 [0,1,0,0,0,1|1,0,1]=4 1448 B12R1.107 CC(C)CC(=O)C1=CCCCO1 1458a_100000764163_100000210624 [0,1,0,0,0,1|0,0,2]=4 1449 B12R1.107 CC(C)CC(=O)C1=COCCO1 1458a_100000008702_100000210624 [0,1,0,0,0,1|0,0,2]=4 1450 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,1,0,0,0,1|1,0,0]=3 1451 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,1,0,0,0,1|2,0,0]=4 1452 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,1,0,0,0,1|2,0,0]=4 1453 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,1,0,0,0,1|2,0,0]=4 1454 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,1,0,0,0,1|2,0,0]=4 1455 B12R1.107 CC(O)CC(=O)C1=CCCCO1 1458a_100000764163_100011218427 [0,1,0,0,0,1|0,0,2]=4 1456 B12R1.107 CC(O)CC(=O)C1=COCCO1 1458a_100000008702_100011218427 [0,1,0,0,0,1|0,0,2]=4 1457 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,1,0,0,0,1|1,0,0]=3 1458 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,1,0,0,0,1|2,0,0]=4 1459 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,1,0,0,0,1|2,0,0]=4 1460 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [0,1,0,0,0,1|2,0,0]=4 1461 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [0,1,0,0,0,1|2,0,0]=4 1462 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,1,0,0,0,1|2,0,0]=4 1463 B12R1.308 CCCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210303 [0,1,0,0,0,1|0,0,2]=4 1464 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,1,0,0,0,1|1,0,0]=3 1465 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,1,0,0,0,1|1,0,0]=3 1466 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,1,0,0,0,1|1,0,0]=3 1467 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,1,0,0,0,1|1,0,0]=3 1468 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,1,0,0,0,1|1,0,0]=3 1469 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,1,0,0,0,1|1,0,0]=3 1470 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,1,0,0,0,1|1,0,0]=3 1471 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [0,1,0,0,0,1|2,0,0]=4 1472 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [0,1,0,0,0,1|2,0,0]=4 1473 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [0,1,0,0,0,1|2,0,0]=4 1474 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [0,1,0,0,0,1|2,0,0]=4 1475 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [0,1,0,0,0,1|2,0,0]=4 1476 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [0,1,0,0,0,1|2,0,0]=4 1477 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [0,1,0,0,0,1|2,0,0]=4 1478 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [0,1,0,0,0,1|2,0,0]=4 1479 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [0,1,0,0,0,1|2,0,0]=4 1480 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [0,1,0,0,0,1|2,0,0]=4 1481 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [0,1,0,0,0,1|2,0,0]=4 1482 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [0,1,0,0,0,1|2,0,0]=4 1483 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [0,1,0,0,0,1|2,0,0]=4 1484 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [0,1,0,0,0,1|2,0,0]=4 1485 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [0,1,0,0,0,1|2,0,0]=4 1486 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,1,0,0,0,1|2,0,0]=4 1487 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,1,0,0,0,1|2,0,0]=4 1488 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [0,1,0,0,0,1|2,0,0]=4 1489 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [0,1,0,0,0,1|2,0,0]=4 1490 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,1,0,0,0,1|2,0,0]=4 1491 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,1,0,0,0,1|2,0,0]=4 1492 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [0,1,0,0,0,1|2,0,0]=4 1493 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [0,1,0,0,0,1|2,0,0]=4 1494 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [0,1,0,0,0,1|2,0,0]=4 1495 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,1,0,0,0,1|2,0,0]=4 1496 B12R1.308 CCOC(=O)c1ncncc1O 271570a_203496583355_100012344254 [0,1,0,0,0,1|2,0,0]=4 1497 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,1,0,0,0,1|2,0,0]=4 1498 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,1,0,0,0,1|2,0,0]=4 1499 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,1,0,0,0,1|2,0,0]=4 1500 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,1,0,0,0,1|2,0,0]=4 1501 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,1,0,0,0,1|2,0,0]=4 1502 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,1,0,0,0,1|2,0,0]=4 1503 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,1,0,0,0,1|2,0,0]=4 1504 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,1,0,0,0,1|2,0,0]=4 1505 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,1,0,0,0,1|2,0,0]=4 1506 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,1,0,0,0,1|2,0,0]=4 1507 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,1,0,0,0,1|2,0,0]=4 1508 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,1,0,0,0,1|2,0,0]=4 1509 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,1,0,0,0,1|2,0,0]=4 1510 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,1,0,0,0,1|2,0,0]=4 1511 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,1,0,0,0,1|2,0,0]=4 1512 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,1,0,0,0,1|2,0,0]=4 1515 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,1,0,0,0,1|2,0,0]=4 1516 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,1,0,0,0,1|2,0,0]=4 1518 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,1,0,0,0,1|2,0,0]=4 1520 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,1,0,0,0,1|2,0,0]=4 1524 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,1,0,0,0,1|2,0,0]=4 1528 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,1,0,0,0,1|2,0,0]=4 1529 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,1,0,0,0,1|2,0,0]=4 1530 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,1,0,0,0,1|2,0,0]=4 1531 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,1,0,0,0,1|2,0,0]=4 1535 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,1,0,0,0,1|2,0,0]=4 1536 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,1,0,0,0,1|2,0,0]=4 1541 B12R1.31 CCCC(=O)Cc1cc(cs1)Br 1458a_100000211992_100000746031 [0,1,0,0,0,1|0,1,0]=3 1542 B12R1.31 CCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210303 [0,1,0,0,0,1|0,1,0]=3 1543 B12R1.31 CCCC(=O)Cc1cc(no1)Br 1458a_100000211992_100000709089 [0,1,0,0,0,1|1,0,0]=3 1544 B12R1.31 CCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210303 [0,1,0,0,0,1|1,0,0]=3 1545 B12R1.31 CCCC(=O)Cc1cc(no1)C 1458a_100000211992_100000707947 [0,1,0,0,0,1|1,0,0]=3 1546 B12R1.31 CCCC(=O)Cc1cc(on1)C 1458a_100000211992_100000199038 [0,1,0,0,0,1|2,0,0]=4 1547 B12R1.31 CCCC(=O)Cc1ccc(s1)Br 1458a_100000211992_100000708592 [0,1,0,0,0,1|0,1,0]=3 1548 B12R1.31 CCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210303 [0,1,0,0,0,1|0,1,0]=3 1549 B12R1.31 CCCC(=O)Cc1ccc(s1)Cl 1458a_100000211992_100000185097 [0,1,0,0,0,1|0,1,0]=3 1550 B12R1.31 CCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210303 [0,1,0,0,0,1|0,1,0]=3 1551 B12R1.31 CCCC(=O)Cc1ccn(n1)C 1458a_100000211992_100000726502 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.31 CCCC(=O)Cc1cn(cn1)C 1458a_100000211992_100000717665 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.31 CCCC(=O)Cc1cn(cn1)C 1458a_100011512828_100000210303 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.31 CCCC(=O)Cc1cnc(s1)Br 1458a_100000211992_100000717027 [0,1,0,0,0,1|1,1,0]=4 1555 B12R1.31 CCCC(=O)Cc1cnc(s1)C 1458a_100000211992_100020635045 [0,1,0,0,0,1|1,1,0]=4 1556 B12R1.31 CCCC(=O)Cc1cnc(s1)Cl 1458a_100000211992_100000058068 [0,1,0,0,0,1|1,1,0]=4 1557 B12R1.31 CCCC(=O)Cc1csc(n1)C 1458a_100000184407_100000210303 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.31 CCCC(=O)Cc1csc(n1)C 1458a_100000211992_100015186478 [0,1,0,0,0,1|2,0,0]=4 1559 B12R1.31 CCCC(=O)Cc1csc(n1)Cl 1458a_100000211992_100000024076 [0,1,0,0,0,1|2,0,0]=4 1560 B12R1.31 CCCC(=O)Cc1nc(no1)C 1458a_100000211992_100000735555 [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.31 CCCC(=O)Cc1nc(no1)C 1458a_100011441805_100000210303 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.31 CCCC(=O)Cc1nnc(o1)C 1458a_100000211992_100000181450 [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.31 CCCC(=O)Cn1cc(cn1)Br 1458a_100000238729_100000210303 [0,1,0,0,0,1|2,0,0]=4 1564 B12R1.31 CCCC(=O)Cn1cc(cn1)C 1458a_100000743463_100000210303 [0,1,0,0,0,1|2,0,0]=4 1565 B12R1.31 CCCC(=O)Cn1cc(cn1)Cl 1458a_100000759256_100000210303 [0,1,0,0,0,1|2,0,0]=4 1566 B12R1.31 CCCC(=O)Cn1cc(cn1)I 1458a_100012072407_100000210303 [0,1,0,0,0,1|2,0,0]=4 1567 B12R1.31 CCCC(=O)Cn1ccc(n1)C 1458a_100000238720_100000210303 [0,1,0,0,0,1|2,0,0]=4 1568 B12R1.31 CCCN(C)Cc1cc(co1)Br 270004a_100000747261_100000747035 [0,1,0,0,0,1|2,0,0]=4 1569 B12R1.31 CCCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210303 [0,1,0,0,0,1|2,0,0]=4 1570 B12R1.31 CCCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000210303 [0,1,0,0,0,1|2,0,0]=4 1571 B12R1.31 CCCN(C)Cc1ccc(o1)Br 270004a_100000747261_100000185145 [0,1,0,0,0,1|2,0,0]=4 1572 B12R1.31 CCCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210303 [0,1,0,0,0,1|2,0,0]=4 1573 B12R1.31 CCCN(C)Cc1ccc(o1)C 269982a_100000184526_100000210303 [0,1,0,0,0,1|2,0,0]=4 1574 B12R1.31 CCCN(C)Cc1ccc(o1)C 270004a_100000747261_100000183696 [0,1,0,0,0,1|2,0,0]=4 1575 B12R1.31 CCCN(C)Cc1ccc(o1)C 34a_100000184526_100000210303 [0,1,0,0,0,1|2,0,0]=4 1576 B12R1.31 CCCN(C)Cc1ccc(o1)Cl 270004a_100000747261_100000188459 [0,1,0,0,0,1|2,0,0]=4 1577 B12R1.31 CCNC(=O)Cc1cc(cs1)Br 11a_100015525214_100011542370 [0,1,0,0,0,1|1,1,0]=4 1578 B12R1.31 CCNC(=O)Cc1cc(cs1)Br 240690a_100015525214_100011542370 [0,1,0,0,0,1|1,1,0]=4 1579 B12R1.31 CCNC(=O)Cc1cc(no1)C 11a_100015525214_100000037866 [0,1,0,0,0,1|2,0,0]=4 1580 B12R1.31 CCNC(=O)Cc1cc(no1)C 240690a_100015525214_100000037866 [0,1,0,0,0,1|2,0,0]=4 1581 B12R1.31 CCNC(=O)Cc1ccc(s1)Br 11a_100015525214_100000238643 [0,1,0,0,0,1|1,1,0]=4 1582 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl 11a_100015525214_100000238644 [0,1,0,0,0,1|1,1,0]=4 1583 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl 240690a_100015525214_100000238644 [0,1,0,0,0,1|1,1,0]=4 1584 B12R1.31 COCC(=O)Cc1cc(cs1)Br 1458a_100000210968_100000746031 [0,1,0,0,0,1|1,1,0]=4 1585 B12R1.31 COCC(=O)Cc1cc(no1)Br 1458a_100000210968_100000709089 [0,1,0,0,0,1|2,0,0]=4 1586 B12R1.31 COCC(=O)Cc1cc(no1)C 1458a_100000210968_100000707947 [0,1,0,0,0,1|2,0,0]=4 1587 B12R1.31 COCC(=O)Cc1ccc(s1)Br 1458a_100000210968_100000708592 [0,1,0,0,0,1|1,1,0]=4 1588 B12R1.31 COCC(=O)Cc1ccc(s1)Cl 1458a_100000210968_100000185097 [0,1,0,0,0,1|1,1,0]=4 1589 B12R1.31 CSCC(=O)Cc1cc(cs1)Br 1458a_100000184570_100000746031 [0,1,0,0,0,1|1,1,0]=4 1590 B12R1.31 CSCC(=O)Cc1cc(no1)Br 1458a_100000184570_100000709089 [0,1,0,0,0,1|2,0,0]=4 1591 B12R1.31 CSCC(=O)Cc1cc(no1)C 1458a_100000184570_100000707947 [0,1,0,0,0,1|2,0,0]=4 1592 B12R1.31 CSCC(=O)Cc1ccc(s1)Br 1458a_100000184570_100000708592 [0,1,0,0,0,1|1,1,0]=4 1593 B12R1.31 CSCC(=O)Cc1ccc(s1)Cl 1458a_100000184570_100000185097 [0,1,0,0,0,1|1,1,0]=4 1594 B12R1.31 Cc1cc(on1)CC(=O)CCF 1458a_100000037866_100011217306 [0,1,0,0,0,1|2,0,0]=4 1595 B12R1.31 Cc1cc(on1)CC(=O)CCO 1458a_100000037866_100000211926 [0,1,0,0,0,1|2,0,0]=4 1596 B12R1.31 Cc1cc(on1)CC(=O)CCO 1458a_100011216618_100000707947 [0,1,0,0,0,1|2,0,0]=4 1597 B12R1.31 O=C(CCF)Cc1cc(cs1)Br 1458a_100011542370_100011217306 [0,1,0,0,0,1|1,1,0]=4 1598 B12R1.31 O=C(CCF)Cc1ccc(s1)Br 1458a_100000238643_100011217306 [0,1,0,0,0,1|1,1,0]=4 1599 B12R1.31 O=C(CCF)Cc1ccc(s1)Cl 1458a_100000238644_100011217306 [0,1,0,0,0,1|1,1,0]=4 1600 B12R1.31 O=C(CCO)Cc1cc(cs1)Br 1458a_100011216618_100000746031 [0,1,0,0,0,1|1,1,0]=4 1601 B12R1.31 O=C(CCO)Cc1cc(cs1)Br 1458a_100011542370_100000211926 [0,1,0,0,0,1|1,1,0]=4 1602 B12R1.31 O=C(CCO)Cc1cc(no1)Br 1458a_100011216618_100000709089 [0,1,0,0,0,1|2,0,0]=4 1603 B12R1.31 O=C(CCO)Cc1ccc(s1)Br 1458a_100000238643_100000211926 [0,1,0,0,0,1|1,1,0]=4 1604 B12R1.31 O=C(CCO)Cc1ccc(s1)Br 1458a_100011216618_100000708592 [0,1,0,0,0,1|1,1,0]=4 1605 B12R1.31 O=C(CCO)Cc1ccc(s1)Cl 1458a_100000238644_100000211926 [0,1,0,0,0,1|1,1,0]=4 1606 B12R1.31 O=C(CCO)Cc1ccc(s1)Cl 1458a_100011216618_100000185097 [0,1,0,0,0,1|1,1,0]=4 1607 B12R1.53 C#CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000753159 [0,1,0,0,0,1|1,0,1]=4 1608 B12R1.53 C#CCCC(=O)Cc1ccco1 1458a_100011217309_100000753159 [0,1,0,0,0,1|0,0,1]=3 1609 B12R1.53 C#CCCC(=O)Cc1cccs1 1458a_100000210189_100000753159 [0,1,0,0,0,1|0,1,1]=4 1610 B12R1.53 C#CCCC(=O)Cc1ncco1 1458a_100000692101_103436540062 [0,1,0,0,0,1|1,0,1]=4 1611 B12R1.53 C#CCNC(=O)Cc1ccco1 11a_100000212058_100011217309 [0,1,0,0,0,1|0,0,2]=4 1612 B12R1.53 C#CCNC(=O)Cc1ccco1 527a_100000212058_100011217309 [0,1,0,0,0,1|0,0,2]=4 1613 B12R1.53 C/C=C/CC(=O)Cc1ccc[nH]1 1458a_100000238377_100102629194 [0,1,0,0,0,1|1,0,1]=4 1614 B12R1.53 C/C=C/CC(=O)Cc1ccco1 1458a_100011217309_100102629194 [0,1,0,0,0,1|0,0,1]=3 1615 B12R1.53 C/C=C/CC(=O)Cc1cccs1 1458a_100000210189_100102629194 [0,1,0,0,0,1|0,1,1]=4 1616 B12R1.53 C=CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000754431 [0,1,0,0,0,1|1,0,1]=4 1617 B12R1.53 C=CCCC(=O)Cc1ccco1 1458a_100011217309_100000754431 [0,1,0,0,0,1|0,0,1]=3 1618 B12R1.53 C=CCCC(=O)Cc1cccs1 1458a_100000210189_100000754431 [0,1,0,0,0,1|0,1,1]=4 1619 B12R1.53 C=CCCC(=O)Cc1ncco1 1458a_100000749702_103436540062 [0,1,0,0,0,1|1,0,1]=4 1620 B12R1.53 C=CCNC(=O)Cc1ccco1 527a_100020586998_100011217309 [0,1,0,0,0,1|0,0,2]=4 1621 B12R1.53 CC#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000748600 [0,1,0,0,0,1|1,0,1]=4 1622 B12R1.53 CC#CCC(=O)Cc1ccco1 1458a_100011217309_100000748600 [0,1,0,0,0,1|0,0,1]=3 1623 B12R1.53 CC#CCC(=O)Cc1cccs1 1458a_100000210189_100000748600 [0,1,0,0,0,1|0,1,1]=4 1624 B12R1.53 CC=CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000070051 [0,1,0,0,0,1|1,0,1]=4 1625 B12R1.53 CC=CCC(=O)Cc1ccco1 1458a_100011217309_100000070051 [0,1,0,0,0,1|0,0,1]=3 1626 B12R1.53 CC=CCC(=O)Cc1cccs1 1458a_100000210189_100000070051 [0,1,0,0,0,1|0,1,1]=4 1627 B12R1.53 CC=CCC(=O)Cc1ncco1 1458a_100121576822_103436540062 [0,1,0,0,0,1|1,0,1]=4 1628 B12R1.53 CCC#CC(=O)Cc1ncco1 1458a_100011827653_103436540062 [0,1,0,0,0,1|1,0,1]=4 1629 B12R1.53 CCC=CC(=O)Cc1ncco1 1458a_100000212282_103436540062 [0,1,0,0,0,1|1,0,1]=4 1630 B12R1.53 CCCCC(=Cc1ccco1)Br 271570a_206741709834_100009814098 [0,1,0,0,0,1|1,0,0]=3 1631 B12R1.53 CCCCC(=Cc1cccs1)Br 271570a_206741709834_100011215356 [0,1,0,0,0,1|1,1,0]=4 1632 B12R1.53 CCCCC(=Cc1cnco1)Br 271570a_206741709834_100020591547 [0,1,0,0,0,1|2,0,0]=4 1633 B12R1.53 CCCCC(=Cc1ncco1)Br 271570a_206741709834_100011787736 [0,1,0,0,0,1|2,0,0]=4 1634 B12R1.53 CCCCC(=O)Cc1c[nH]cn1 1458a_100000210183_100000707719 [0,1,0,0,0,1|2,0,0]=4 1635 B12R1.53 CCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210211 [0,1,0,0,0,1|2,0,0]=4 1636 B12R1.53 CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210211 [0,1,0,0,0,1|1,0,0]=3 1637 B12R1.53 CCCCC(=O)Cc1ccco1 1458a_100011217309_100000210211 [0,1,0,0,0,1|0,0,0]=2 1638 B12R1.53 CCCCC(=O)Cc1cccs1 1458a_100000210189_100000210211 [0,1,0,0,0,1|0,1,0]=3 1639 B12R1.53 CCCCC(=O)Cc1ccn[nH]1 1458a_100000210183_100000728653 [0,1,0,0,0,1|2,0,0]=4 1640 B12R1.53 CCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210211 [0,1,0,0,0,1|2,0,0]=4 1641 B12R1.53 CCCCC(=O)Cc1ccoc1 1458a_100000684892_100000210211 [0,1,0,0,0,1|2,0,0]=4 1642 B12R1.53 CCCCC(=O)Cc1ccon1 1458a_100000210183_100000234950 [0,1,0,0,0,1|2,0,0]=4 1643 B12R1.53 CCCCC(=O)Cc1ccsc1 1458a_100000184062_100000210211 [0,1,0,0,0,1|2,0,0]=4 1644 B12R1.53 CCCCC(=O)Cc1ccsc1 1458a_100000210183_100011233845 [0,1,0,0,0,1|2,0,0]=4 1645 B12R1.53 CCCCC(=O)Cc1cncs1 1458a_100000210183_100015185245 [0,1,0,0,0,1|1,1,0]=4 1646 B12R1.53 CCCCC(=O)Cc1cscn1 1458a_100000210183_100000205941 [0,1,0,0,0,1|2,0,0]=4 1647 B12R1.53 CCCCC(=O)Cc1cscn1 1458a_100011438297_100000210211 [0,1,0,0,0,1|2,0,0]=4 1648 B12R1.53 CCCCC(=O)Cc1ncco1 1458a_100000210183_103436540062 [0,1,0,0,0,1|1,0,0]=3 1649 B12R1.53 CCCCC(=O)Cc1nccs1 1458a_100000210183_100015184050 [0,1,0,0,0,1|1,1,0]=4 1650 B12R1.53 CCCCC(=O)Cn1cccc1 1458a_100011196272_100000210211 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.53 CCCCC(=O)Cn1cccn1 1458a_100000233772_100000210211 [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.53 CCCCC(C)Sc1ccco1 62a_100009814098_200011215066 [0,1,0,0,0,1|1,0,1]=4 1653 B12R1.53 CCCCC(C)Sc1ccco1 62a_200011215066_100009814098 [0,1,0,0,0,1|1,0,1]=4 1654 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100000185268_100000210211 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100015184542_200000210301 [0,1,0,0,0,1|2,0,0]=4 1656 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100000185268_100000210211 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100015184542_200000210301 [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.53 CCCCN(C)Cc1ccco1 270004a_100000207549_100000186105 [0,1,0,0,0,1|2,0,0]=4 1659 B12R1.53 CCCCN([13CH3])Cc1ccco1 2230a_100015184542_200025704644 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.53 CCCCN([13CH3])Cc1ccco1 269982a_100015184542_200025704644 [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.53 CCCNC(=O)Cc1c[nH]cn1 240690a_100020643023_100015291406 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 11a_100020643023_100000238377 [0,1,0,0,0,1|1,0,0]=3 1663 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 240690a_100020643023_100000238377 [0,1,0,0,0,1|1,0,0]=3 1664 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 527a_100020643023_100000238377 [0,1,0,0,0,1|1,0,0]=3 1665 B12R1.53 CCCNC(=O)Cc1ccco1 11a_100020643023_100011217309 [0,1,0,0,0,1|0,0,0]=2 1666 B12R1.53 CCCNC(=O)Cc1ccco1 527a_100020643023_100011217309 [0,1,0,0,0,1|0,0,0]=2 1667 B12R1.53 CCCNC(=O)Cc1cccs1 11a_100020643023_100000210189 [0,1,0,0,0,1|0,1,0]=3 1668 B12R1.53 CCCNC(=O)Cc1cccs1 1626a_100020643023_100000210189 [0,1,0,0,0,1|0,1,0]=3 1669 B12R1.53 CCCNC(=O)Cc1cccs1 240690a_100020643023_100000210189 [0,1,0,0,0,1|0,1,0]=3 1670 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 11a_100020643023_100000752941 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 1626a_100020643023_100000752941 [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 240690a_100020643023_100000752941 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 527a_100020643023_100000752941 [0,1,0,0,0,1|2,0,0]=4 1674 B12R1.53 CCCNC(=O)Cc1ccoc1 11a_100020643023_100000684892 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.53 CCCNC(=O)Cc1ccoc1 1626a_100020643023_100000684892 [0,1,0,0,0,1|2,0,0]=4 1676 B12R1.53 CCCNC(=O)Cc1ccoc1 240690a_100020643023_100000684892 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.53 CCCNC(=O)Cc1ccoc1 527a_100020643023_100000684892 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.53 CCCNC(=O)Cc1ccsc1 11a_100020643023_100000184062 [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.53 CCCNC(=O)Cc1ccsc1 1626a_100020643023_100000184062 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.53 CCCNC(=O)Cc1ccsc1 240690a_100020643023_100000184062 [0,1,0,0,0,1|2,0,0]=4 1681 B12R1.53 CCCNC(=O)Cc1ccsc1 527a_100020643023_100000184062 [0,1,0,0,0,1|2,0,0]=4 1682 B12R1.53 CCCNC(=O)Cc1cscn1 11a_100020643023_100011438297 [0,1,0,0,0,1|2,0,0]=4 1683 B12R1.53 CCCNC(=O)Cc1cscn1 1626a_100020643023_100011438297 [0,1,0,0,0,1|2,0,0]=4 1684 B12R1.53 CCCNC(=O)Cc1cscn1 240690a_100020643023_100011438297 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.53 CCCNC(=O)Cc1cscn1 527a_100020643023_100011438297 [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.53 CCCNC(=O)Cn1cccc1 11a_100020643023_100011196272 [0,1,0,0,0,1|2,0,0]=4 1687 B12R1.53 CCCNC(=O)Cn1cccc1 1626a_100020643023_100011196272 [0,1,0,0,0,1|2,0,0]=4 1688 B12R1.53 CCCNC(=O)Cn1cccc1 527a_100020643023_100011196272 [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.53 CCCNC(=O)Cn1cccn1 11a_100020643023_100000233772 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.53 CCCNC(=O)Cn1cccn1 1626a_100020643023_100000233772 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.53 CCCNC(=O)Cn1cccn1 240690a_100020643023_100000233772 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.53 CCCNC(=O)Cn1cccn1 527a_100020643023_100000233772 [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.53 CCCNC(C)Cc1ccco1 270004a_100020643023_100011216958 [0,1,0,0,0,1|1,0,1]=4 1694 B12R1.53 CCCOC(C)Cc1ccco1 34a_100011803939_100000210303 [0,1,0,0,0,1|1,0,1]=4 1695 B12R1.53 CCCOC(C)Cc1ccco1 7a_100011803939_100000210303 [0,1,0,0,0,1|1,0,1]=4 1696 B12R1.53 CCNCC(=O)Nc1ccon1 2230a_100015525214_100000239699 [0,1,0,0,0,1|2,0,0]=4 1697 B12R1.53 CCNCC(=O)Nc1nccs1 2230a_100015525214_100000183294 [0,1,0,0,0,1|1,1,0]=4 1698 B12R1.53 CCNNC(=O)Cc1ccc[nH]1 22a_100000756455_100000238377 [0,1,0,0,0,1|2,0,0]=4 1699 B12R1.53 CCNNC(=O)Cc1ccco1 22a_100000756455_100011217309 [0,1,0,0,0,1|1,0,0]=3 1700 B12R1.53 CCNNC(=O)Cc1cccs1 22a_100000756455_100000210189 [0,1,0,0,0,1|1,1,0]=4 1701 B12R1.53 CCOCC(=O)Cc1c[nH]cn1 1458a_100000211967_100000707719 [0,1,0,0,0,1|2,0,0]=4 1702 B12R1.53 CCOCC(=O)Cc1ccn[nH]1 1458a_100000211967_100000728653 [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.53 CCOCC(=O)Cc1ccon1 1458a_100000211967_100000234950 [0,1,0,0,0,1|2,0,0]=4 1704 B12R1.53 CCOCC(=O)Cc1ccsc1 1458a_100000211967_100011233845 [0,1,0,0,0,1|2,0,0]=4 1705 B12R1.53 CCOCC(=O)Cc1cncs1 1458a_100000211967_100015185245 [0,1,0,0,0,1|1,1,0]=4 1706 B12R1.53 CCOCC(=O)Cc1cscn1 1458a_100000211967_100000205941 [0,1,0,0,0,1|2,0,0]=4 1707 B12R1.53 CCOCC(=O)Cc1ncco1 1458a_100000211967_103436540062 [0,1,0,0,0,1|1,0,0]=3 1708 B12R1.53 CCOCC(=O)Cc1nccs1 1458a_100000211967_100015184050 [0,1,0,0,0,1|1,1,0]=4 1709 B12R1.53 CCOCN(C)Cc1ccco1 269982a_100000185268_100000739092 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.53 CCSCC(=O)Cc1c[nH]cn1 1458a_100000230394_100000707719 [0,1,0,0,0,1|2,0,0]=4 1711 B12R1.53 CCSCC(=O)Cc1ccn[nH]1 1458a_100000230394_100000728653 [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.53 CCSCC(=O)Cc1ccon1 1458a_100000230394_100000234950 [0,1,0,0,0,1|2,0,0]=4 1713 B12R1.53 CCSCC(=O)Cc1ccsc1 1458a_100000230394_100011233845 [0,1,0,0,0,1|2,0,0]=4 1714 B12R1.53 CCSCC(=O)Cc1cncs1 1458a_100000230394_100015185245 [0,1,0,0,0,1|1,1,0]=4 1715 B12R1.53 CCSCC(=O)Cc1cscn1 1458a_100000230394_100000205941 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.53 CCSCC(=O)Cc1ncco1 1458a_100000230394_103436540062 [0,1,0,0,0,1|1,0,0]=3 1717 B12R1.53 CCSCC(=O)Cc1nccs1 1458a_100000230394_100015184050 [0,1,0,0,0,1|1,1,0]=4 1718 B12R1.53 CCSCC(=O)Nc1ccon1 62a_100000210202_100000239699 [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.53 CCSCC(=O)Nc1ccon1 62a_100000239699_100000210202 [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.53 CCSCC(=O)Nc1nccs1 62a_100000183294_100000210202 [0,1,0,0,0,1|1,1,0]=4 1721 B12R1.53 CCSCC(=O)Nc1nccs1 62a_100000210202_100000183294 [0,1,0,0,0,1|1,1,0]=4 1722 B12R1.53 CN(CCCF)Cc1ccco1 2230a_100000185268_100011934791 [0,1,0,0,0,1|2,0,0]=4 1723 B12R1.53 CN(CCCF)Cc1ccco1 269982a_100000185268_100011934791 [0,1,0,0,0,1|2,0,0]=4 1724 B12R1.53 CN(CCCO)Cc1ccco1 2230a_100000185268_100000230001 [0,1,0,0,0,1|2,0,0]=4 1725 B12R1.53 CN(CCCO)Cc1ccco1 269982a_100000185268_100011215043 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.53 CN(CCCO)Cc1ccco1 270004a_100000213112_100000186105 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.53 CNCCC(=O)Nc1nccs1 2230a_106832991635_200011194430 [0,1,0,0,0,1|1,1,0]=4 1728 B12R1.53 CNCCC(=O)Nc1nccs1 7a_106832991635_200011194430 [0,1,0,0,0,1|1,1,0]=4 1729 B12R1.53 COCCC(=O)Cc1c[nH]cn1 1458a_100000749529_100000707719 [0,1,0,0,0,1|2,0,0]=4 1730 B12R1.53 COCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000233755 [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.53 COCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000233755 [0,1,0,0,0,1|1,0,0]=3 1732 B12R1.53 COCCC(=O)Cc1ccco1 1458a_100011217309_100000233755 [0,1,0,0,0,1|0,0,0]=2 1733 B12R1.53 COCCC(=O)Cc1cccs1 1458a_100000210189_100000233755 [0,1,0,0,0,1|0,1,0]=3 1734 B12R1.53 COCCC(=O)Cc1ccn[nH]1 1458a_100000749529_100000728653 [0,1,0,0,0,1|2,0,0]=4 1735 B12R1.53 COCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000233755 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.53 COCCC(=O)Cc1ccoc1 1458a_100000684892_100000233755 [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.53 COCCC(=O)Cc1ccon1 1458a_100000749529_100000234950 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.53 COCCC(=O)Cc1ccsc1 1458a_100000184062_100000233755 [0,1,0,0,0,1|2,0,0]=4 1739 B12R1.53 COCCC(=O)Cc1ccsc1 1458a_100000749529_100011233845 [0,1,0,0,0,1|2,0,0]=4 1740 B12R1.53 COCCC(=O)Cc1cncs1 1458a_100000749529_100015185245 [0,1,0,0,0,1|1,1,0]=4 1741 B12R1.53 COCCC(=O)Cc1cscn1 1458a_100000749529_100000205941 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.53 COCCC(=O)Cc1cscn1 1458a_100011438297_100000233755 [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.53 COCCC(=O)Cc1ncco1 1458a_100000749529_103436540062 [0,1,0,0,0,1|1,0,0]=3 1744 B12R1.53 COCCC(=O)Cc1nccs1 1458a_100000749529_100015184050 [0,1,0,0,0,1|1,1,0]=4 1745 B12R1.53 COCCC(=O)Cn1cccc1 1458a_100011196272_100000233755 [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.53 COCCC(=O)Cn1cccn1 1458a_100000233772_100000233755 [0,1,0,0,0,1|2,0,0]=4 1747 B12R1.53 COCCN(C)Cc1ccco1 2230a_100000185268_100011201679 [0,1,0,0,0,1|2,0,0]=4 1748 B12R1.53 COCCN(C)Cc1ccco1 2230a_100000200132_200000210301 [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.53 COCCN(C)Cc1ccco1 269982a_100000185268_100000233755 [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.53 COCCN(C)Cc1ccco1 269982a_100000200132_200000210301 [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.53 COCCN(C)Cc1ccco1 270004a_100000743101_100000186105 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.53 COCCN([13CH3])Cc1ccco1 2230a_100000200132_200025704644 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.53 COCCN([13CH3])Cc1ccco1 269982a_100000200132_200025704644 [0,1,0,0,0,1|2,0,0]=4 1754 B12R1.53 CSCCC(=O)Cc1c[nH]cn1 1458a_100000174002_100000707719 [0,1,0,0,0,1|2,0,0]=4 1755 B12R1.53 CSCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000751147 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.53 CSCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000751147 [0,1,0,0,0,1|1,0,0]=3 1757 B12R1.53 CSCCC(=O)Cc1ccco1 1458a_100011217309_100000751147 [0,1,0,0,0,1|0,0,0]=2 1758 B12R1.53 CSCCC(=O)Cc1cccs1 1458a_100000210189_100000751147 [0,1,0,0,0,1|0,1,0]=3 1759 B12R1.53 CSCCC(=O)Cc1ccn[nH]1 1458a_100000174002_100000728653 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.53 CSCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000751147 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.53 CSCCC(=O)Cc1ccoc1 1458a_100000684892_100000751147 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.53 CSCCC(=O)Cc1ccon1 1458a_100000174002_100000234950 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.53 CSCCC(=O)Cc1ccsc1 1458a_100000174002_100011233845 [0,1,0,0,0,1|2,0,0]=4 1764 B12R1.53 CSCCC(=O)Cc1ccsc1 1458a_100000184062_100000751147 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.53 CSCCC(=O)Cc1cncs1 1458a_100000174002_100015185245 [0,1,0,0,0,1|1,1,0]=4 1766 B12R1.53 CSCCC(=O)Cc1cscn1 1458a_100000174002_100000205941 [0,1,0,0,0,1|2,0,0]=4 1767 B12R1.53 CSCCC(=O)Cc1cscn1 1458a_100011438297_100000751147 [0,1,0,0,0,1|2,0,0]=4 1768 B12R1.53 CSCCC(=O)Cc1ncco1 1458a_100000174002_103436540062 [0,1,0,0,0,1|1,0,0]=3 1769 B12R1.53 CSCCC(=O)Cc1nccs1 1458a_100000174002_100015184050 [0,1,0,0,0,1|1,1,0]=4 1770 B12R1.53 CSCCC(=O)Cn1cccc1 1458a_100011196272_100000751147 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.53 CSCCC(=O)Cn1cccn1 1458a_100000233772_100000751147 [0,1,0,0,0,1|2,0,0]=4 1772 B12R1.53 CSCCC(=O)Nc1nccs1 62a_200000210301_200011194430 [0,1,0,0,0,1|1,1,0]=4 1773 B12R1.53 CSCCN(C)Cc1ccco1 2230a_100000185268_100000751147 [0,1,0,0,0,1|2,0,0]=4 1774 B12R1.53 CSCCN(C)Cc1ccco1 269982a_100000185268_100000212216 [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.53 CSCCN(C)Cc1ccco1 270004a_100000686725_100000186105 [0,1,0,0,0,1|2,0,0]=4 1776 B12R1.53 N#CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011215226 [0,1,0,0,0,1|1,0,1]=4 1777 B12R1.53 N#CCCC(=O)Cc1ccco1 1458a_100011217309_100011215226 [0,1,0,0,0,1|0,0,1]=3 1778 B12R1.53 N#CCCC(=O)Cc1cccs1 1458a_100000210189_100011215226 [0,1,0,0,0,1|0,1,1]=4 1779 B12R1.53 N#CCCC(=O)Cc1ncco1 1458a_100011934036_103436540062 [0,1,0,0,0,1|1,0,1]=4 1780 B12R1.53 N#CCNC(=O)Cc1ccco1 527a_100000734998_100011217309 [0,1,0,0,0,1|1,0,1]=4 1781 B12R1.53 O=C(CCCF)Cc1c[nH]cn1 1458a_100015291406_100011934791 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.53 O=C(CCCF)Cc1ccc[nH]1 1458a_100000238377_100011934791 [0,1,0,0,0,1|1,0,0]=3 1783 B12R1.53 O=C(CCCF)Cc1ccco1 1458a_100011217309_100011934791 [0,1,0,0,0,1|0,0,0]=2 1784 B12R1.53 O=C(CCCF)Cc1cccs1 1458a_100000210189_100011934791 [0,1,0,0,0,1|0,1,0]=3 1785 B12R1.53 O=C(CCCF)Cc1ccn[nH]1 1458a_100000752941_100011934791 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.53 O=C(CCCF)Cc1ccoc1 1458a_100000684892_100011934791 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.53 O=C(CCCF)Cc1ccsc1 1458a_100000184062_100011934791 [0,1,0,0,0,1|2,0,0]=4 1788 B12R1.53 O=C(CCCF)Cc1cscn1 1458a_100011438297_100011934791 [0,1,0,0,0,1|2,0,0]=4 1789 B12R1.53 O=C(CCCF)Cn1cccc1 1458a_100011196272_100011934791 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.53 O=C(CCCF)Cn1cccn1 1458a_100000233772_100011934791 [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.53 O=C(CCCO)Cc1c[nH]cn1 1458a_100015291406_100011215043 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.53 O=C(CCCO)Cc1ccc[nH]1 1458a_100000238377_100011215043 [0,1,0,0,0,1|1,0,0]=3 1793 B12R1.53 O=C(CCCO)Cc1ccco1 1458a_100011217309_100011215043 [0,1,0,0,0,1|0,0,0]=2 1794 B12R1.53 O=C(CCCO)Cc1cccs1 1458a_100000210189_100011215043 [0,1,0,0,0,1|0,1,0]=3 1795 B12R1.53 O=C(CCCO)Cc1ccn[nH]1 1458a_100000752941_100011215043 [0,1,0,0,0,1|2,0,0]=4 1796 B12R1.53 O=C(CCCO)Cc1ccoc1 1458a_100000684892_100011215043 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.53 O=C(CCCO)Cc1ccsc1 1458a_100000184062_100011215043 [0,1,0,0,0,1|2,0,0]=4 1798 B12R1.53 O=C(CCCO)Cc1cscn1 1458a_100011438297_100011215043 [0,1,0,0,0,1|2,0,0]=4 1799 B12R1.53 O=C(CCCO)Cn1cccc1 1458a_100011196272_100011215043 [0,1,0,0,0,1|2,0,0]=4 1800 B12R1.53 O=C(CCCO)Cn1cccn1 1458a_100000233772_100011215043 [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.53 O=C(Cc1ccc[nH]1)NCCF 11a_100000724931_100000238377 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.53 O=C(Cc1ccc[nH]1)NCCF 240690a_100000724931_100000238377 [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.53 O=C(Cc1ccc[nH]1)NCCF 527a_100000724931_100000238377 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.53 O=C(Cc1ccc[nH]1)NCCO 240690a_100000210304_100000238377 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.53 O=C(Cc1ccc[nH]1)NCCO 527a_100000210304_100000238377 [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.53 O=C(Cc1ccco1)NCCF 11a_100000724931_100011217309 [0,1,0,0,0,1|1,0,0]=3 1807 B12R1.53 O=C(Cc1ccco1)NCCF 527a_100000724931_100011217309 [0,1,0,0,0,1|1,0,0]=3 1808 B12R1.53 O=C(Cc1ccco1)NCCO 527a_100000210304_100011217309 [0,1,0,0,0,1|1,0,0]=3 1809 B12R1.53 O=C(Cc1cccs1)NCCF 11a_100000724931_100000210189 [0,1,0,0,0,1|1,1,0]=4 1810 B12R1.53 O=C(Cc1cccs1)NCCF 1626a_100000724931_100000210189 [0,1,0,0,0,1|1,1,0]=4 1811 B12R1.53 O=C(Cc1cccs1)NCCF 240690a_100000724931_100000210189 [0,1,0,0,0,1|1,1,0]=4 1812 B12R1.53 O=C(Cc1cccs1)NCCO 240690a_100000210304_100000210189 [0,1,0,0,0,1|1,1,0]=4 1813 B12R1.53 [13CH3]SCCC(=O)Nc1nccs1 62a_200025704644_200011194430 [0,1,0,0,0,1|1,1,0]=4 1814 B12R1.55 CCCC(=O)C(C)n1cccc1 1458a_100000243804_100000210303 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.55 CCCN(C)C(C)c1ccco1 2230a_100000232712_100000210303 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.55 CCCN(C)C(C)c1ccco1 269982a_100000232712_100000210303 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.72 CCCC(CC)Sc1ccco1 62a_100009814098_100011219200 [0,1,0,0,0,1|1,0,1]=4 1818 B12R1.72 CCCC(CC)Sc1ccco1 62a_100011219200_100009814098 [0,1,0,0,0,1|1,0,1]=4 1819 B12R1.72 CCCC(Cc1ccco1)NC 270004a_106832991635_100011996227 [0,1,0,0,0,1|1,0,1]=4 1820 B12R1.72 CCCN(CC)Cc1ccco1 2230a_100000201650_100000210202 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.72 CCCN(CC)Cc1ccco1 2230a_100000739255_100000210303 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.72 CCCN(CC)Cc1ccco1 269982a_100000201650_100000204670 [0,1,0,0,0,1|2,0,0]=4 1823 B12R1.72 CCCN(CC)Cc1ccco1 269982a_100000739255_100000210303 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.72 CCCN(CC)Cc1ccco1 270004a_100000226822_100000186105 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.72 CCCN(CF)Cc1ccco1 269982a_100000201650_100015361967 [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.108 C#CC(C)C(=O)Cc1ccco1 1458a_100011217309_200000035995 [0,1,0,0,0,1|0,0,2]=4 1827 B12R1.108 CC(C#N)C(=O)Cc1ccco1 1458a_100011217309_100000703298 [0,1,0,0,0,1|1,0,1]=4 1828 B12R1.108 CCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210202 [0,1,0,0,0,1|1,0,1]=4 1829 B12R1.108 CCC(C)C(=O)Cc1c[nH]cn1 1458a_100011192722_100000707719 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.108 CCC(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000758301 [0,1,0,0,0,1|2,0,0]=4 1831 B12R1.108 CCC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000758301 [0,1,0,0,0,1|1,0,0]=3 1832 B12R1.108 CCC(C)C(=O)Cc1ccco1 1458a_100011217309_100000758301 [0,1,0,0,0,1|0,0,0]=2 1833 B12R1.108 CCC(C)C(=O)Cc1cccs1 1458a_100000210189_100000758301 [0,1,0,0,0,1|0,1,0]=3 1834 B12R1.108 CCC(C)C(=O)Cc1ccn[nH]1 1458a_100000752941_100000758301 [0,1,0,0,0,1|2,0,0]=4 1835 B12R1.108 CCC(C)C(=O)Cc1ccn[nH]1 1458a_100011192722_100000728653 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.108 CCC(C)C(=O)Cc1ccoc1 1458a_100000684892_100000758301 [0,1,0,0,0,1|2,0,0]=4 1837 B12R1.108 CCC(C)C(=O)Cc1ccon1 1458a_100011192722_100000234950 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.108 CCC(C)C(=O)Cc1ccsc1 1458a_100000184062_100000758301 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.108 CCC(C)C(=O)Cc1ccsc1 1458a_100011192722_100011233845 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.108 CCC(C)C(=O)Cc1cncs1 1458a_100011192722_100015185245 [0,1,0,0,0,1|1,1,0]=4 1841 B12R1.108 CCC(C)C(=O)Cc1cscn1 1458a_100011192722_100000205941 [0,1,0,0,0,1|2,0,0]=4 1842 B12R1.108 CCC(C)C(=O)Cc1cscn1 1458a_100011438297_100000758301 [0,1,0,0,0,1|2,0,0]=4 1843 B12R1.108 CCC(C)C(=O)Cc1ncco1 1458a_100011192722_103436540062 [0,1,0,0,0,1|1,0,0]=3 1844 B12R1.108 CCC(C)C(=O)Cc1nccs1 1458a_100011192722_100015184050 [0,1,0,0,0,1|1,1,0]=4 1845 B12R1.108 CCC(C)C(=O)Cn1cccc1 1458a_100011196272_100000758301 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.108 CCC(C)C(=O)Cn1cccn1 1458a_100000233772_100000758301 [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.108 CCC(C)N(C)Cc1ccco1 2230a_100000185268_100000758301 [0,1,0,0,0,1|2,0,0]=4 1848 B12R1.108 CCC(C)N(C)Cc1ccco1 269982a_100000185268_100000758301 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.108 CCC(C)N(C)Cc1ccco1 270004a_100000741768_100000186105 [0,1,0,0,0,1|2,0,0]=4 1850 B12R1.108 CCC(O)C(=O)Cc1c[nH]cn1 1458a_100011196387_100000707719 [0,1,0,0,0,1|2,0,0]=4 1851 B12R1.108 CCC(O)C(=O)Cc1ccn[nH]1 1458a_100011196387_100000728653 [0,1,0,0,0,1|2,0,0]=4 1852 B12R1.108 CCC(O)C(=O)Cc1ccon1 1458a_100011196387_100000234950 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.108 CCC(O)C(=O)Cc1ccsc1 1458a_100011196387_100011233845 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.108 CCC(O)C(=O)Cc1cncs1 1458a_100011196387_100015185245 [0,1,0,0,0,1|1,1,0]=4 1855 B12R1.108 CCC(O)C(=O)Cc1cscn1 1458a_100011196387_100000205941 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.108 CCC(O)C(=O)Cc1ncco1 1458a_100011196387_103436540062 [0,1,0,0,0,1|1,0,0]=3 1857 B12R1.108 CCC(O)C(=O)Cc1nccs1 1458a_100011196387_100015184050 [0,1,0,0,0,1|1,1,0]=4 1858 B12R1.108 CCN(C)C(=O)Cc1ccc[nH]1 11a_100000225621_100000238377 [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.108 CCN(C)C(=O)Cc1ccc[nH]1 240690a_100000225621_100000238377 [0,1,0,0,0,1|2,0,0]=4 1860 B12R1.108 CCN(C)C(=O)Cc1ccc[nH]1 527a_100000225621_100000238377 [0,1,0,0,0,1|2,0,0]=4 1861 B12R1.108 CCN(C)C(=O)Cc1ccco1 11a_100000225621_100011217309 [0,1,0,0,0,1|1,0,0]=3 1862 B12R1.108 CCN(C)C(=O)Cc1ccco1 527a_100000225621_100011217309 [0,1,0,0,0,1|1,0,0]=3 1863 B12R1.108 CCN(C)C(=O)Cc1cccs1 11a_100000225621_100000210189 [0,1,0,0,0,1|1,1,0]=4 1864 B12R1.108 CCN(C)C(=O)Cc1cccs1 1626a_100000225621_100000210189 [0,1,0,0,0,1|1,1,0]=4 1865 B12R1.108 CCN(C)C(=O)Cc1cccs1 240690a_100000225621_100000210189 [0,1,0,0,0,1|1,1,0]=4 1866 B12R1.108 COC(C)C(=O)Cc1ncco1 1458a_100000743197_103436540062 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.108 CSC(C)C(=O)Cc1ncco1 1458a_100000149566_103436540062 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.108 O=C(Cc1ncco1)C(O)CO 1458a_100011215603_103436540062 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.260 C=C(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000748629 [0,1,0,0,0,1|1,0,1]=4 1870 B12R1.260 C=C(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748629 [0,1,0,0,0,1|0,0,1]=3 1871 B12R1.260 C=C(C)CC(=O)Cc1cccs1 1458a_100000210189_100000748629 [0,1,0,0,0,1|0,1,1]=4 1872 B12R1.260 C=C(F)CC(=O)Cc1ccco1 1458a_100011217309_100009893438 [0,1,0,0,0,1|0,0,2]=4 1873 B12R1.260 CC(C)CC(=O)Cc1c[nH]cn1 1458a_100000210554_100000707719 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.260 CC(C)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210624 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.260 CC(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210624 [0,1,0,0,0,1|1,0,0]=3 1876 B12R1.260 CC(C)CC(=O)Cc1ccco1 1458a_100011217309_100000210624 [0,1,0,0,0,1|0,0,0]=2 1877 B12R1.260 CC(C)CC(=O)Cc1cccs1 1458a_100000210189_100000210624 [0,1,0,0,0,1|0,1,0]=3 1878 B12R1.260 CC(C)CC(=O)Cc1ccn[nH]1 1458a_100000210554_100000728653 [0,1,0,0,0,1|2,0,0]=4 1879 B12R1.260 CC(C)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210624 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.260 CC(C)CC(=O)Cc1ccoc1 1458a_100000684892_100000210624 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.260 CC(C)CC(=O)Cc1ccon1 1458a_100000210554_100000234950 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.260 CC(C)CC(=O)Cc1ccsc1 1458a_100000184062_100000210624 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.260 CC(C)CC(=O)Cc1ccsc1 1458a_100000210554_100011233845 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.260 CC(C)CC(=O)Cc1cncs1 1458a_100000210554_100015185245 [0,1,0,0,0,1|1,1,0]=4 1885 B12R1.260 CC(C)CC(=O)Cc1cscn1 1458a_100000210554_100000205941 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.260 CC(C)CC(=O)Cc1cscn1 1458a_100011438297_100000210624 [0,1,0,0,0,1|2,0,0]=4 1887 B12R1.260 CC(C)CC(=O)Cc1ncco1 1458a_100000210554_103436540062 [0,1,0,0,0,1|1,0,0]=3 1888 B12R1.260 CC(C)CC(=O)Cc1nccs1 1458a_100000210554_100015184050 [0,1,0,0,0,1|1,1,0]=4 1889 B12R1.260 CC(C)CC(=O)Cn1cccc1 1458a_100011196272_100000210624 [0,1,0,0,0,1|2,0,0]=4 1890 B12R1.260 CC(C)CC(=O)Cn1cccn1 1458a_100000233772_100000210624 [0,1,0,0,0,1|2,0,0]=4 1891 B12R1.260 CC(C)CC(C)Sc1ccco1 62a_100000731052_100009814098 [0,1,0,0,0,1|1,0,1]=4 1892 B12R1.260 CC(C)CC(C)Sc1ccco1 62a_100009814098_100000731052 [0,1,0,0,0,1|1,0,1]=4 1893 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000185268_100000210760 [0,1,0,0,0,1|2,0,0]=4 1894 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000200082_200000210301 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000185268_100000210624 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000200082_200000210301 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000185268_100000210432 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000747067_100000186105 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 2230a_100000200082_200025704644 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 269982a_100000200082_200025704644 [0,1,0,0,0,1|2,0,0]=4 1901 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 11a_100138425928_100000238377 [0,1,0,0,0,1|2,0,0]=4 1902 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 240690a_100138425928_100000238377 [0,1,0,0,0,1|2,0,0]=4 1903 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 527a_100138425928_100000238377 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.260 CC(C)NC(=O)Cc1ccco1 11a_100138425928_100011217309 [0,1,0,0,0,1|1,0,0]=3 1905 B12R1.260 CC(C)NC(=O)Cc1ccco1 527a_100138425928_100011217309 [0,1,0,0,0,1|1,0,0]=3 1906 B12R1.260 CC(C)NC(=O)Cc1cccs1 11a_100138425928_100000210189 [0,1,0,0,0,1|1,1,0]=4 1907 B12R1.260 CC(C)NC(=O)Cc1cccs1 1626a_100138425928_100000210189 [0,1,0,0,0,1|1,1,0]=4 1908 B12R1.260 CC(C)NC(=O)Cc1cccs1 240690a_100138425928_100000210189 [0,1,0,0,0,1|1,1,0]=4 1909 B12R1.260 CC(O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100011218427 [0,1,0,0,0,1|2,0,0]=4 1910 B12R1.260 CC(O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100011218427 [0,1,0,0,0,1|1,0,0]=3 1911 B12R1.260 CC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218427 [0,1,0,0,0,1|0,0,0]=2 1912 B12R1.260 CC(O)CC(=O)Cc1cccs1 1458a_100000210189_100011218427 [0,1,0,0,0,1|0,1,0]=3 1913 B12R1.260 CC(O)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100011218427 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.260 CC(O)CC(=O)Cc1ccoc1 1458a_100000684892_100011218427 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.260 CC(O)CC(=O)Cc1ccsc1 1458a_100000184062_100011218427 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.260 CC(O)CC(=O)Cc1cscn1 1458a_100011438297_100011218427 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.260 CC(O)CC(=O)Cn1cccc1 1458a_100011196272_100011218427 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.260 CC(O)CC(=O)Cn1cccn1 1458a_100000233772_100011218427 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.260 CC(O)CN(C)Cc1ccco1 2230a_100000185268_100011218427 [0,1,0,0,0,1|2,0,0]=4 1920 B12R1.260 CC(O)CN(C)Cc1ccco1 269982a_100000185268_100011218427 [0,1,0,0,0,1|2,0,0]=4 1921 B12R1.260 CC(O)CN(C)Cc1ccco1 270004a_100000227577_100000186105 [0,1,0,0,0,1|2,0,0]=4 1922 B12R1.260 CN(C)CC(=O)Cc1ncco1 1458a_100000750896_103436540062 [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.260 C[C@@H](O)CC(=O)Cc1c[nH]cn1 1458a_100011933948_100000707719 [0,1,0,0,0,1|2,0,0]=4 1924 B12R1.260 C[C@@H](O)CC(=O)Cc1ccn[nH]1 1458a_100011933948_100000728653 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.260 C[C@@H](O)CC(=O)Cc1ccon1 1458a_100011933948_100000234950 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.260 C[C@@H](O)CC(=O)Cc1ccsc1 1458a_100011933948_100011233845 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.260 C[C@@H](O)CC(=O)Cc1cncs1 1458a_100011933948_100015185245 [0,1,0,0,0,1|1,1,0]=4 1928 B12R1.260 C[C@@H](O)CC(=O)Cc1cscn1 1458a_100011933948_100000205941 [0,1,0,0,0,1|2,0,0]=4 1929 B12R1.260 C[C@@H](O)CC(=O)Cc1ncco1 1458a_100011933948_103436540062 [0,1,0,0,0,1|1,0,0]=3 1930 B12R1.260 C[C@@H](O)CC(=O)Cc1nccs1 1458a_100011933948_100015184050 [0,1,0,0,0,1|1,1,0]=4 1931 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 2230a_100000185268_100009817552 [0,1,0,0,0,1|2,0,0]=4 1932 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 269982a_100000185268_100009817552 [0,1,0,0,0,1|2,0,0]=4 1933 B12R1.260 C[S+](C)CC(=O)Cc1ncco1 1458a_200159257847_103436540062 [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.260 NC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000187820 [0,1,0,0,0,1|1,0,1]=4 1935 B12R1.260 O=C(Cc1ccc[nH]1)CC(F)F 1458a_100000238377_100011934356 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.260 O=C(Cc1ccco1)CC(F)F 1458a_100011217309_100011934356 [0,1,0,0,0,1|1,0,0]=3 1937 B12R1.260 O=C(Cc1ccco1)C[N+](=O)[O-] 1458a_100011217309_100000761209 [0,1,0,0,0,1|2,0,0]=4 1938 B12R1.260 O=C(Cc1cccs1)CC(F)F 1458a_100000210189_100011934356 [0,1,0,0,0,1|1,1,0]=4 1939 B12R1.260 O=C([O-])CC(=O)Cc1ccco1 1458a_100011217309_100020667443 [0,1,0,0,0,1|1,0,1]=4 1940 B12R1.318 CCCC(=O)Cc1ccnn1C 1458a_100000211992_100000691648 [0,1,0,0,0,1|2,0,0]=4 1941 B12R1.318 CCCC(=O)Cc1ccsc1Br 1458a_100000211992_100009814289 [0,1,0,0,0,1|2,0,0]=4 1942 B12R1.318 CCCC(=O)Cc1ccsc1Cl 1458a_100000211992_100010167017 [0,1,0,0,0,1|2,0,0]=4 1943 B12R1.318 CCCC(=O)Cc1nc[nH]c1C 1458a_100000211992_100000751220 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.318 CCCC(=O)Cc1ncoc1C 1458a_100000211992_200000693990 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.318 CCCC(=O)Cn1nccc1C 1458a_100000759144_100000210303 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.318 CCCN(C)Cc1occc1Br 270004a_100000747261_100000756499 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.318 CCCN(C)Cc1occc1C 2230a_100000734364_100000210303 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.318 CCCN(C)Cc1occc1C 269982a_100000734364_100000210303 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.318 CCCN(C)Cc1occc1C 270004a_100000747261_100000763527 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.36 CCCCC(NC)c1ccco1 269862a_106832991636_200011535251 [0,2,0,0,0,0|1,0,1]=4 1951 B12R1.36 CCCNC(CC)c1ccco1 2230a_100015202707_100000210303 [0,2,0,0,0,0|1,0,1]=4 1952 B12R1.36 CCCNC(CC)c1ccco1 269862a_100020643023_100000749595 [0,2,0,0,0,0|1,0,1]=4 1953 B12R1.36 CCCOC(CN)c1ccco1 34a_100000738650_100000210303 [0,2,0,0,0,0|1,0,1]=4 1954 B12R1.36 CCNN=C(CC)c1ccco1 4a_100000756455_100000749595 [0,2,0,0,0,0|2,0,0]=4 1955 B12R1.293 CCCC(NCC)c1ccco1 269862a_100015525214_200011535218 [0,2,0,0,0,0|1,0,1]=4 1956 B12R1.295 CO/N=C(\C(=O)C)/c1ccco1 1458a_100016993407_200000210301 [0,2,0,0,0,0|2,0,0]=4 1957 B12R1.295 CO/N=C(\C(=O)[13CH3])/c1ccco1 1458a_100016993407_200025704644 [0,2,0,0,0,0|2,0,0]=4 1958 B12R1.29 CC=NNC(=O)c1ccc(o1)Br 4a_100000186364_200000210099 [0,2,0,0,0,0|1,0,1]=4 1959 B12R1.29 CC=NNC(=O)c1ccc(o1)C 4a_100000189940_200000210099 [0,2,0,0,0,0|1,0,1]=4 1960 B12R1.29 CCCNC(=O)c1ccc(o1)O 271570a_203496583355_200000161738 [0,2,0,0,0,0|0,0,0]=2 1961 B12R1.29 CCCNC(=O)c1ccc(s1)O 271570a_203496583355_200000152264 [0,2,0,0,0,0|0,1,0]=3 1962 B12R1.29 CCCNC(C)c1ccc(o1)C 269862a_100020643023_100000204583 [0,2,0,0,0,0|1,0,1]=4 1963 B12R1.29 CCNCC(=O)c1ccc(s1)Br 2230a_100015525214_100000185163 [0,2,0,0,0,0|0,1,0]=3 1964 B12R1.29 CCNCC(=O)c1ccc(s1)C 2230a_100015525214_100011262362 [0,2,0,0,0,0|0,1,0]=3 1965 B12R1.29 CCNCC(=O)c1ccc(s1)Cl 2230a_100015525214_100000185135 [0,2,0,0,0,0|0,1,0]=3 1966 B12R1.29 CCNN=C(C)c1ccc(o1)Br 4a_100000756455_100000229899 [0,2,0,0,0,0|2,0,0]=4 1967 B12R1.29 CCNN=C(C)c1ccc(o1)C 4a_100000756455_100000204583 [0,2,0,0,0,0|2,0,0]=4 1968 B12R1.29 CCOCC(=O)c1ccc(s1)C 34a_100121572206_100011262362 [0,2,0,0,0,0|0,1,0]=3 1969 B12R1.29 CCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000210202 [0,2,0,0,0,0|0,1,0]=3 1970 B12R1.29 CCSCC(=O)c1ccc(s1)C 62a_100000210202_100011262362 [0,2,0,0,0,0|0,1,0]=3 1971 B12R1.29 CCSCC(=O)c1ccc(s1)C 62a_100011262362_100000210202 [0,2,0,0,0,0|0,1,0]=3 1972 B12R1.29 CCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000210202 [0,2,0,0,0,0|0,1,0]=3 1973 B12R1.29 CCSCC(=O)c1ccc(s1)Cl 62a_100000210202_100000185135 [0,2,0,0,0,0|0,1,0]=3 1974 B12R1.29 CNCCC(C)c1ccc(o1)C 270004a_106832991635_200000043041 [0,2,0,0,0,0|1,0,1]=4 1975 B12R1.29 Cc1ccc(s1)C(=O)CSCF 62a_100011262362_100015361967 [0,2,0,0,0,0|1,1,0]=4 1976 B12R1.29 Cc1ccc(s1)C(=O)CSCF 62a_100015361967_100011262362 [0,2,0,0,0,0|1,1,0]=4 1977 B12R1.29 O=C(CSCF)c1ccc(s1)Br 62a_100000185163_100015361967 [0,2,0,0,0,0|1,1,0]=4 1978 B12R1.29 O=C(CSCF)c1ccc(s1)Cl 62a_100000185135_100015361967 [0,2,0,0,0,0|1,1,0]=4 1979 B12R1.29 O=C(CSCF)c1ccc(s1)Cl 62a_100015361967_100000185135 [0,2,0,0,0,0|1,1,0]=4 1980 B12R1.33 CON(C)C(=O)c1ccc(o1)O 271570a_203496583355_100000174310 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.103 CC(=O)CC(=O)c1ccc(s1)Br 1458a_100000070787_100000185163 [0,2,0,0,0,0|0,1,1]=4 1982 B12R1.103 CC(=O)CC(=O)c1ccc(s1)C 1458a_100000070787_100011262362 [0,2,0,0,0,0|0,1,1]=4 1983 B12R1.103 CC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000070787_100000185135 [0,2,0,0,0,0|0,1,1]=4 1984 B12R1.103 CC(C)NC(=O)c1ccc(o1)O 271570a_203496583355_100000157565 [0,2,0,0,0,0|1,0,0]=3 1985 B12R1.103 CC(C)NC(=O)c1ccc(s1)O 271570a_203496583355_100000152625 [0,2,0,0,0,0|1,1,0]=4 1986 B12R1.103 CN(C)CC(=O)c1ccc(s1)Br 2230a_100102631434_100000185163 [0,2,0,0,0,0|1,1,0]=4 1987 B12R1.103 CN(C)CC(=O)c1ccc(s1)Br 269982a_100102631434_100000185163 [0,2,0,0,0,0|1,1,0]=4 1988 B12R1.103 CN(C)CC(=O)c1ccc(s1)Cl 2230a_100102631434_100000185135 [0,2,0,0,0,0|1,1,0]=4 1989 B12R1.103 CN(C)CC(=O)c1ccc(s1)Cl 269982a_100102631434_100000185135 [0,2,0,0,0,0|1,1,0]=4 1990 B12R1.103 Cc1ccc(s1)C(=O)CN(C)C 2230a_100102631434_100011262362 [0,2,0,0,0,0|1,1,0]=4 1991 B12R1.103 Cc1ccc(s1)C(=O)CN(C)C 269982a_100102631434_100011262362 [0,2,0,0,0,0|1,1,0]=4 1992 B12R1.312 C=Cc1ccc([nH]1)C(=O)OCC 271570a_100011290941_200000687776 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.312 C=Cc1ccc(o1)C(=O)OCC 271570a_100011290941_200000170220 [0,2,0,0,0,0|1,0,0]=3 1994 B12R1.312 C=Cc1ccc(s1)C(=O)NCC 271570a_100011290941_200000155171 [0,2,0,0,0,0|1,1,0]=4 1995 B12R1.312 C=Cc1ccc(s1)C(=O)OCC 271570a_100011290941_100000172375 [0,2,0,0,0,0|1,1,0]=4 1996 B12R1.312 C=Cc1csc(c1)C(=O)OCC 271570a_100011290941_100009815474 [0,2,0,0,0,0|1,1,0]=4 1997 B12R1.312 C=Cc1ncc(o1)C(=O)OCC 271570a_100011290941_100010205802 [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.312 CCNC(=O)c1ccc(s1)NC 27a_100102657272_200000155171 [0,2,0,0,0,0|1,1,0]=4 1999 B12R1.312 CCNC(=O)c1ccc(s1)SC 62a_200000155171_200000210301 [0,2,0,0,0,0|1,1,0]=4 2000 B12R1.312 CCNC(=O)c1ccc(s1)SC 62a_200000210301_200000155171 [0,2,0,0,0,0|1,1,0]=4 2001 B12R1.312 CCNC(=O)c1ccc(s1)S[13CH3] 62a_200000155171_200025704644 [0,2,0,0,0,0|1,1,0]=4 2002 B12R1.312 CCNC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000155171 [0,2,0,0,0,0|1,1,0]=4 2003 B12R1.312 CCOC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000704357 [0,2,0,0,0,0|2,0,0]=4 2004 B12R1.312 CCOC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000704357 [0,2,0,0,0,0|2,0,0]=4 2005 B12R1.312 CCOC(=O)c1cc(cs1)SC 62a_200000210301_100009815474 [0,2,0,0,0,0|1,1,0]=4 2006 B12R1.312 CCOC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815474 [0,2,0,0,0,0|1,1,0]=4 2007 B12R1.312 CCOC(=O)c1cc(no1)SC 62a_100010138273_200000210301 [0,2,0,0,0,0|2,0,0]=4 2008 B12R1.312 CCOC(=O)c1cc(no1)SC 62a_200000210301_100010138273 [0,2,0,0,0,0|2,0,0]=4 2009 B12R1.312 CCOC(=O)c1cc(no1)S[13CH3] 62a_100010138273_200025704644 [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.312 CCOC(=O)c1cc(no1)S[13CH3] 62a_200025704644_100010138273 [0,2,0,0,0,0|2,0,0]=4 2011 B12R1.312 CCOC(=O)c1ccc([nH]1)SC 62a_200000210301_200000687776 [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.312 CCOC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_200000687776 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.312 CCOC(=O)c1ccc(o1)SC 62a_200000210301_200000170220 [0,2,0,0,0,0|1,0,0]=3 2014 B12R1.312 CCOC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_200000170220 [0,2,0,0,0,0|1,0,0]=3 2015 B12R1.312 CCOC(=O)c1ccc(s1)SC 62a_200000210301_100000172375 [0,2,0,0,0,0|1,1,0]=4 2016 B12R1.312 CCOC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000172375 [0,2,0,0,0,0|1,1,0]=4 2017 B12R1.312 CCOC(=O)c1cnc(o1)NC 27a_100102657272_100010205802 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.312 CCOC(=O)c1cnc(o1)SC 62a_200000210301_100010205802 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.312 CCOC(=O)c1cnc(o1)S[13CH3] 62a_200025704644_100010205802 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.312 CNCC(=O)c1ccc(s1)C#N 2230a_106832991635_100009817167 [0,2,0,0,0,0|1,1,0]=4 2021 B12R1.312 CNCC(=O)c1ccc(s1)C#N 7a_106832991635_100009817167 [0,2,0,0,0,0|1,1,0]=4 2022 B12R1.312 CSCC(=O)c1ccc(s1)C#N 62a_200000210301_100009817167 [0,2,0,0,0,0|1,1,0]=4 2023 B12R1.312 [13CH3]SCC(=O)c1ccc(s1)C#N 62a_200025704644_100009817167 [0,2,0,0,0,0|1,1,0]=4 2024 B12R1.313 CSCC(=O)n1oc(cc1=O)C 62a_200000210301_100000023040 [0,2,0,0,0,0|2,0,0]=4 2025 B12R1.313 Cc1cc(=O)n(o1)C(=O)CS[13CH3] 62a_200025704644_100000023040 [0,2,0,0,0,0|2,0,0]=4 2026 B12R1.314 CCOC(=O)c1cc(c([nH]1)C)O 271570a_203496583355_100010735034 [0,2,0,0,0,0|2,0,0]=4 2027 B12R1.314 CCOC(=O)c1cc(c(s1)O)C 271570a_203496583355_200012676308 [0,2,0,0,0,0|1,1,0]=4 2028 B12R1.1579 CNCC(=O)c1scc(c1Br)Br 2230a_106832991635_100012351080 [0,2,0,0,0,0|1,1,0]=4 2029 B12R1.1579 CNCC(=O)c1scc(c1Br)Br 7a_106832991635_100012351080 [0,2,0,0,0,0|1,1,0]=4 2030 B12R1.1579 CSCC(=O)c1scc(c1Br)Br 62a_100012351080_200000210301 [0,2,0,0,0,0|1,1,0]=4 2031 B12R1.1579 CSCC(=O)c1scc(c1Br)Br 62a_200000210301_100012351080 [0,2,0,0,0,0|1,1,0]=4 2032 B12R1.1579 [13CH3]SCC(=O)c1scc(c1Br)Br 62a_100012351080_200025704644 [0,2,0,0,0,0|1,1,0]=4 2033 B12R1.1579 [13CH3]SCC(=O)c1scc(c1Br)Br 62a_200025704644_100012351080 [0,2,0,0,0,0|1,1,0]=4 2034 B12R1.15 C#CC(=O)CC(=O)c1ccco1 1458a_100000211873_100000211439 [0,2,0,0,0,0|0,0,2]=4 2035 B12R1.15 C=CC(=O)CC(=O)c1ccco1 1458a_100000185746_100000211439 [0,2,0,0,0,0|0,0,2]=4 2036 B12R1.15 CCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210414_200011262396 [0,2,0,0,0,0|1,0,0]=3 2037 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [0,2,0,0,0,0|0,0,0]=2 2038 B12R1.15 CCC(=O)CC(=O)c1cccs1 1458a_100000210414_100000211436 [0,2,0,0,0,0|0,1,0]=3 2039 B12R1.15 CCC(=O)CC(=O)c1ccsc1 1458a_100000210414_100011219462 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.15 CCC(=O)CC(=O)c1nccs1 1458a_100000210414_100000718653 [0,2,0,0,0,0|1,1,0]=4 2041 B12R1.15 CCC(=O)CC(=O)n1cccn1 1458a_100000210414_100000077511 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.15 CCC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000758301 [0,2,0,0,0,0|1,0,1]=4 2043 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 34a_100000755270_100011215416 [0,2,0,0,0,0|1,0,1]=4 2044 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000758301 [0,2,0,0,0,0|1,0,1]=4 2045 B12R1.15 CCN(C)CC(=O)c1ccc[nH]1 269982a_100000225621_200011262396 [0,2,0,0,0,0|1,0,0]=3 2046 B12R1.15 CCN(C)CC(=O)c1ccco1 269982a_100000225621_100000211439 [0,2,0,0,0,0|0,0,0]=2 2047 B12R1.15 CCN(C)CC(=O)c1cccs1 2230a_100000225621_100000211436 [0,2,0,0,0,0|0,1,0]=3 2048 B12R1.15 CCN(C)CC(=O)c1cccs1 269982a_100000225621_100000211436 [0,2,0,0,0,0|0,1,0]=3 2049 B12R1.15 CCN(C)CC(=O)c1ccsc1 2230a_100000225621_100011219462 [0,2,0,0,0,0|2,0,0]=4 2050 B12R1.15 CCN(C)CC(=O)c1ccsc1 269982a_100000225621_100011219462 [0,2,0,0,0,0|2,0,0]=4 2051 B12R1.15 CCN(C)CC(=O)c1nccs1 269982a_100000225621_100000718653 [0,2,0,0,0,0|1,1,0]=4 2052 B12R1.15 CCN(C)CC(=O)n1cccn1 2230a_100000225621_100000077511 [0,2,0,0,0,0|2,0,0]=4 2053 B12R1.15 CCN(C)CC(=O)n1cccn1 269982a_100000225621_100000077511 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.15 O=C(CO)CC(=O)c1ccc[nH]1 1458a_100000210174_200011262396 [0,2,0,0,0,0|1,0,1]=4 2055 B12R1.15 O=C(CO)CC(=O)c1ccco1 1458a_100000210174_100000211439 [0,2,0,0,0,0|0,0,1]=3 2056 B12R1.15 O=C(CO)CC(=O)c1cccs1 1458a_100000210174_100000211436 [0,2,0,0,0,0|0,1,1]=4 2057 B12R1.35 C#CCSCC(=O)c1ccc[nH]1 62a_100000038162_200011262396 [0,2,0,0,0,0|1,0,1]=4 2058 B12R1.35 C#CCSCC(=O)c1ccco1 62a_100000038162_100000211439 [0,2,0,0,0,0|0,0,1]=3 2059 B12R1.35 C#CCSCC(=O)c1cccs1 62a_100000038162_100000211436 [0,2,0,0,0,0|0,1,1]=4 2060 B12R1.35 C=CCNCC(=O)c1cccs1 2230a_100020586998_100000211436 [0,2,0,0,0,0|0,1,1]=4 2061 B12R1.35 C=CCSCC(=O)c1ccc[nH]1 62a_100000210623_200011262396 [0,2,0,0,0,0|1,0,1]=4 2062 B12R1.35 C=CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210623 [0,2,0,0,0,0|1,0,1]=4 2063 B12R1.35 C=CCSCC(=O)c1ccco1 62a_100000210623_100000211439 [0,2,0,0,0,0|0,0,1]=3 2064 B12R1.35 C=CCSCC(=O)c1ccco1 62a_100000211439_100000210623 [0,2,0,0,0,0|0,0,1]=3 2065 B12R1.35 C=CCSCC(=O)c1cccs1 62a_100000210623_100000211436 [0,2,0,0,0,0|0,1,1]=4 2066 B12R1.35 C=CCSCC(=O)c1cccs1 62a_100000211436_100000210623 [0,2,0,0,0,0|0,1,1]=4 2067 B12R1.35 CC(=NNCCO)c1ccco1 4a_100000210001_100000210965 [0,2,0,0,0,0|2,0,0]=4 2068 B12R1.35 CCC=NNC(=O)c1ccc[nH]1 4a_100000018271_100000210100 [0,2,0,0,0,0|1,0,1]=4 2069 B12R1.35 CCC=NNC(=O)c1ccco1 4a_100000185077_100000210100 [0,2,0,0,0,0|0,0,1]=3 2070 B12R1.35 CCC=NNC(=O)c1cccs1 4a_100000184746_100000210100 [0,2,0,0,0,0|0,1,1]=4 2071 B12R1.35 CCC=NNC(=O)c1cnco1 4a_100000081316_100000210100 [0,2,0,0,0,0|1,0,1]=4 2072 B12R1.35 CCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210211 [0,2,0,0,0,0|1,0,1]=4 2073 B12R1.35 CCCCO[C@@H](C)c1ccco1 34a_100000755270_100000210210 [0,2,0,0,0,0|1,0,1]=4 2074 B12R1.35 CCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210211 [0,2,0,0,0,0|1,0,1]=4 2075 B12R1.35 CCCNCC(O)c1ccco1 2230a_100000738650_100000210303 [0,2,0,0,0,0|0,0,2]=4 2076 B12R1.35 CCCNN=C(C)c1ccc[nH]1 4a_100000740057_100000183661 [0,2,0,0,0,0|2,0,0]=4 2077 B12R1.35 CCCNN=C(C)c1ccco1 4a_100000740057_100000210965 [0,2,0,0,0,0|1,0,0]=3 2078 B12R1.35 CCCNN=C(C)c1cccs1 4a_100000740057_100000185736 [0,2,0,0,0,0|1,1,0]=4 2079 B12R1.35 CCCNN=C(C)c1ccno1 4a_100000740057_100009863766 [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.35 CCCOCC(=O)c1ccsc1 34a_100000210258_100011219462 [0,2,0,0,0,0|2,0,0]=4 2081 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_100000210303_200011262396 [0,2,0,0,0,0|1,0,0]=3 2082 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210303 [0,2,0,0,0,0|1,0,0]=3 2083 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000210303_100000211439 [0,2,0,0,0,0|0,0,0]=2 2084 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000211439_100000210303 [0,2,0,0,0,0|0,0,0]=2 2085 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000210303_100000211436 [0,2,0,0,0,0|0,1,0]=3 2086 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000211436_100000210303 [0,2,0,0,0,0|0,1,0]=3 2087 B12R1.35 CCCSCC(=O)c1ccsc1 62a_100000210303_100011219462 [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.35 CCCSCC(=O)c1ccsc1 62a_100011219462_100000210303 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.35 CCCSCC(=O)c1nccs1 62a_100000210303_100000718653 [0,2,0,0,0,0|1,1,0]=4 2090 B12R1.35 CCCSCC(=O)c1nccs1 62a_100000718653_100000210303 [0,2,0,0,0,0|1,1,0]=4 2091 B12R1.35 CCCSCC(=O)n1cccn1 62a_100000077511_100000210303 [0,2,0,0,0,0|2,0,0]=4 2092 B12R1.35 CCCSCC(=O)n1cccn1 62a_100000210303_100000077511 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.35 CCNCCC(=O)c1cccs1 2230a_100015525214_100011290775 [0,2,0,0,0,0|0,1,0]=3 2094 B12R1.35 CCSCCC(=O)c1cccs1 62a_100000210202_100011290775 [0,2,0,0,0,0|0,1,0]=3 2095 B12R1.35 CCSCCC(=O)c1cccs1 62a_100011290775_100000210202 [0,2,0,0,0,0|0,1,0]=3 2096 B12R1.35 CNCCNC(=O)n1cccn1 2230a_106832991635_100000070358 [0,2,0,0,0,0|2,0,0]=4 2097 B12R1.35 CNCCNC(=O)n1cccn1 7a_106832991635_100000070358 [0,2,0,0,0,0|2,0,0]=4 2098 B12R1.35 COCCN[C@H](C)c1ccco1 2230a_100160469435_100011201679 [0,2,0,0,0,0|1,0,1]=4 2099 B12R1.35 COCCO[C@@H](C)c1ccco1 34a_100000755270_100011201679 [0,2,0,0,0,0|1,0,1]=4 2100 B12R1.35 COCCO[C@@H](C)c1ccco1 7a_100000755270_100000233755 [0,2,0,0,0,0|1,0,1]=4 2101 B12R1.35 COCNCC(O)c1ccco1 2230a_100000738650_100000766300 [0,2,0,0,0,0|0,0,2]=4 2102 B12R1.35 COCSCC(=O)c1ccc[nH]1 62a_100000766300_200011262396 [0,2,0,0,0,0|1,0,0]=3 2103 B12R1.35 COCSCC(=O)c1ccc[nH]1 62a_200011262396_100000766300 [0,2,0,0,0,0|1,0,0]=3 2104 B12R1.35 COCSCC(=O)c1ccco1 62a_100000211439_100000766300 [0,2,0,0,0,0|0,0,0]=2 2105 B12R1.35 COCSCC(=O)c1ccco1 62a_100000766300_100000211439 [0,2,0,0,0,0|0,0,0]=2 2106 B12R1.35 COCSCC(=O)c1cccs1 62a_100000211436_100000766300 [0,2,0,0,0,0|0,1,0]=3 2107 B12R1.35 COCSCC(=O)c1cccs1 62a_100000766300_100000211436 [0,2,0,0,0,0|0,1,0]=3 2108 B12R1.35 COCSCC(=O)c1ccsc1 62a_100000766300_100011219462 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.35 COCSCC(=O)c1ccsc1 62a_100011219462_100000766300 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.35 COCSCC(=O)c1nccs1 62a_100000718653_100000766300 [0,2,0,0,0,0|1,1,0]=4 2111 B12R1.35 COCSCC(=O)c1nccs1 62a_100000766300_100000718653 [0,2,0,0,0,0|1,1,0]=4 2112 B12R1.35 COCSCC(=O)n1cccn1 62a_100000077511_100000766300 [0,2,0,0,0,0|2,0,0]=4 2113 B12R1.35 COCSCC(=O)n1cccn1 62a_100000766300_100000077511 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.35 CSCCNC(=O)n1cccn1 62a_100000070358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.35 CSCCNC(=O)n1cccn1 62a_200000210301_100000070358 [0,2,0,0,0,0|2,0,0]=4 2116 B12R1.35 CSCCN[C@H](C)c1ccco1 2230a_100160469435_100000751147 [0,2,0,0,0,0|1,0,1]=4 2117 B12R1.35 CSCCO[C@@H](C)c1ccco1 34a_100000755270_100000212216 [0,2,0,0,0,0|1,0,1]=4 2118 B12R1.35 CSCCO[C@@H](C)c1ccco1 7a_100000755270_100000212216 [0,2,0,0,0,0|1,0,1]=4 2119 B12R1.35 CSCNCC(O)c1ccco1 2230a_100000738650_100011218213 [0,2,0,0,0,0|0,0,2]=4 2120 B12R1.35 CSCSCC(=O)c1ccc[nH]1 62a_100011218213_200011262396 [0,2,0,0,0,0|1,0,0]=3 2121 B12R1.35 CSCSCC(=O)c1ccc[nH]1 62a_200011262396_100011218213 [0,2,0,0,0,0|1,0,0]=3 2122 B12R1.35 CSCSCC(=O)c1ccco1 62a_100000211439_100011218213 [0,2,0,0,0,0|0,0,0]=2 2123 B12R1.35 CSCSCC(=O)c1ccco1 62a_100011218213_100000211439 [0,2,0,0,0,0|0,0,0]=2 2124 B12R1.35 CSCSCC(=O)c1cccs1 62a_100000211436_100011218213 [0,2,0,0,0,0|0,1,0]=3 2125 B12R1.35 CSCSCC(=O)c1cccs1 62a_100011218213_100000211436 [0,2,0,0,0,0|0,1,0]=3 2126 B12R1.35 CSCSCC(=O)c1ccsc1 62a_100011218213_100011219462 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.35 CSCSCC(=O)c1ccsc1 62a_100011219462_100011218213 [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.35 CSCSCC(=O)c1nccs1 62a_100000718653_100011218213 [0,2,0,0,0,0|1,1,0]=4 2129 B12R1.35 CSCSCC(=O)c1nccs1 62a_100011218213_100000718653 [0,2,0,0,0,0|1,1,0]=4 2130 B12R1.35 CSCSCC(=O)n1cccn1 62a_100000077511_100011218213 [0,2,0,0,0,0|2,0,0]=4 2131 B12R1.35 CSCSCC(=O)n1cccn1 62a_100011218213_100000077511 [0,2,0,0,0,0|2,0,0]=4 2132 B12R1.35 C[C@@H](NCCCF)c1ccco1 2230a_100160469435_100011934791 [0,2,0,0,0,0|1,0,1]=4 2133 B12R1.35 C[C@@H](NCCCO)c1ccco1 2230a_100160469435_100000230001 [0,2,0,0,0,0|1,0,1]=4 2134 B12R1.35 C[C@H](OCCCF)c1ccco1 34a_100000755270_100011934791 [0,2,0,0,0,0|1,0,1]=4 2135 B12R1.35 C[C@H](OCCCF)c1ccco1 7a_100000755270_100011934791 [0,2,0,0,0,0|1,0,1]=4 2136 B12R1.35 C[C@H](OCCCO)c1ccco1 34a_100000755270_100000230001 [0,2,0,0,0,0|1,0,1]=4 2137 B12R1.35 C[C@H](OCCCO)c1ccco1 7a_100000755270_100011215043 [0,2,0,0,0,0|1,0,1]=4 2138 B12R1.35 N#CCSCC(=O)c1ccc[nH]1 62a_100011215382_200011262396 [0,2,0,0,0,0|1,0,1]=4 2139 B12R1.35 N#CCSCC(=O)c1ccc[nH]1 62a_200011262396_100011215382 [0,2,0,0,0,0|1,0,1]=4 2140 B12R1.35 N#CCSCC(=O)c1ccco1 62a_100000211439_100011215382 [0,2,0,0,0,0|0,0,1]=3 2141 B12R1.35 N#CCSCC(=O)c1ccco1 62a_100011215382_100000211439 [0,2,0,0,0,0|0,0,1]=3 2142 B12R1.35 N#CCSCC(=O)c1cccs1 62a_100000211436_100011215382 [0,2,0,0,0,0|0,1,1]=4 2143 B12R1.35 N#CCSCC(=O)c1cccs1 62a_100011215382_100000211436 [0,2,0,0,0,0|0,1,1]=4 2144 B12R1.35 NCCOCC(=O)c1ccsc1 34a_100000210304_100011219462 [0,2,0,0,0,0|2,0,0]=4 2145 B12R1.35 O=C(CCSCF)c1cccs1 62a_100011290775_100015361967 [0,2,0,0,0,0|0,1,0]=3 2146 B12R1.35 O=C(CCSCF)c1cccs1 62a_100015361967_100011290775 [0,2,0,0,0,0|0,1,0]=3 2147 B12R1.35 O=C(CNCCF)c1ccsc1 34a_100000724931_100011219462 [0,2,0,0,0,0|2,0,0]=4 2148 B12R1.35 O=C(CNCCO)c1cccs1 2230a_100016997473_100000211436 [0,2,0,0,0,0|0,1,0]=3 2149 B12R1.35 O=C(CNCCO)c1ccsc1 2230a_100016997473_100011219462 [0,2,0,0,0,0|2,0,0]=4 2150 B12R1.35 O=C(CNCCO)c1ccsc1 34a_100016990907_100011219462 [0,2,0,0,0,0|2,0,0]=4 2151 B12R1.35 O=C(CNCCO)n1cccn1 2230a_100016997473_100000077511 [0,2,0,0,0,0|2,0,0]=4 2152 B12R1.35 O=C(COCCBr)c1ccsc1 34a_100000211926_100011219462 [0,2,0,0,0,0|2,0,0]=4 2153 B12R1.35 O=C(CSCCF)c1ccc[nH]1 62a_100011217306_200011262396 [0,2,0,0,0,0|1,0,0]=3 2154 B12R1.35 O=C(CSCCF)c1ccc[nH]1 62a_200011262396_100011217306 [0,2,0,0,0,0|1,0,0]=3 2155 B12R1.35 O=C(CSCCF)c1ccco1 62a_100000211439_100011217306 [0,2,0,0,0,0|0,0,0]=2 2156 B12R1.35 O=C(CSCCF)c1ccco1 62a_100011217306_100000211439 [0,2,0,0,0,0|0,0,0]=2 2157 B12R1.35 O=C(CSCCF)c1cccs1 62a_100000211436_100011217306 [0,2,0,0,0,0|0,1,0]=3 2158 B12R1.35 O=C(CSCCF)c1cccs1 62a_100011217306_100000211436 [0,2,0,0,0,0|0,1,0]=3 2159 B12R1.35 O=C(CSCCF)c1ccsc1 62a_100011217306_100011219462 [0,2,0,0,0,0|2,0,0]=4 2160 B12R1.35 O=C(CSCCF)c1ccsc1 62a_100011219462_100011217306 [0,2,0,0,0,0|2,0,0]=4 2161 B12R1.35 O=C(CSCCF)c1nccs1 62a_100000718653_100011217306 [0,2,0,0,0,0|1,1,0]=4 2162 B12R1.35 O=C(CSCCF)c1nccs1 62a_100011217306_100000718653 [0,2,0,0,0,0|1,1,0]=4 2163 B12R1.35 O=C(CSCCF)n1cccn1 62a_100000077511_100011217306 [0,2,0,0,0,0|2,0,0]=4 2164 B12R1.35 O=C(CSCCF)n1cccn1 62a_100011217306_100000077511 [0,2,0,0,0,0|2,0,0]=4 2165 B12R1.35 O=C(CSCCO)c1ccc[nH]1 62a_100000211926_200011262396 [0,2,0,0,0,0|1,0,0]=3 2166 B12R1.35 O=C(CSCCO)c1ccc[nH]1 62a_200011262396_100000211926 [0,2,0,0,0,0|1,0,0]=3 2167 B12R1.35 O=C(CSCCO)c1ccco1 62a_100000211439_100000211926 [0,2,0,0,0,0|0,0,0]=2 2168 B12R1.35 O=C(CSCCO)c1ccco1 62a_100000211926_100000211439 [0,2,0,0,0,0|0,0,0]=2 2169 B12R1.35 O=C(CSCCO)c1cccs1 62a_100000211436_100000211926 [0,2,0,0,0,0|0,1,0]=3 2170 B12R1.35 O=C(CSCCO)c1cccs1 62a_100000211926_100000211436 [0,2,0,0,0,0|0,1,0]=3 2171 B12R1.35 O=C(CSCCO)c1ccsc1 62a_100000211926_100011219462 [0,2,0,0,0,0|2,0,0]=4 2172 B12R1.35 O=C(CSCCO)c1ccsc1 62a_100011219462_100000211926 [0,2,0,0,0,0|2,0,0]=4 2173 B12R1.35 O=C(CSCCO)c1nccs1 62a_100000211926_100000718653 [0,2,0,0,0,0|1,1,0]=4 2174 B12R1.35 O=C(CSCCO)c1nccs1 62a_100000718653_100000211926 [0,2,0,0,0,0|1,1,0]=4 2175 B12R1.35 O=C(CSCCO)n1cccn1 62a_100000077511_100000211926 [0,2,0,0,0,0|2,0,0]=4 2176 B12R1.35 O=C(CSCCO)n1cccn1 62a_100000211926_100000077511 [0,2,0,0,0,0|2,0,0]=4 2177 B12R1.35 O=CCSCC(=O)c1ccc[nH]1 62a_200011262396_200015260668 [0,2,0,0,0,0|1,0,1]=4 2178 B12R1.35 O=CCSCC(=O)c1ccc[nH]1 62a_200015260668_200011262396 [0,2,0,0,0,0|1,0,1]=4 2179 B12R1.35 O=CCSCC(=O)c1ccco1 62a_100000211439_200015260668 [0,2,0,0,0,0|0,0,1]=3 2180 B12R1.35 O=CCSCC(=O)c1ccco1 62a_200015260668_100000211439 [0,2,0,0,0,0|0,0,1]=3 2181 B12R1.35 O=CCSCC(=O)c1cccs1 62a_100000211436_200015260668 [0,2,0,0,0,0|0,1,1]=4 2182 B12R1.35 O=CCSCC(=O)c1cccs1 62a_200015260668_100000211436 [0,2,0,0,0,0|0,1,1]=4 2183 B12R1.35 OC(CNCCF)c1ccco1 2230a_100000738650_100011217306 [0,2,0,0,0,0|0,0,2]=4 2184 B12R1.35 OCCNCC(O)c1ccco1 2230a_100000738650_100000211926 [0,2,0,0,0,0|0,0,2]=4 2185 B12R1.35 [13CH3]SCCNC(=O)n1cccn1 62a_100000070358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2186 B12R1.35 [13CH3]SCCNC(=O)n1cccn1 62a_200025704644_100000070358 [0,2,0,0,0,0|2,0,0]=4 2187 B12R1.54 CC(=NNC(C)C)c1ccco1 4a_100000741168_100000210965 [0,2,0,0,0,0|2,0,0]=4 2188 B12R1.54 CC(=O)CCC(=O)c1cccs1 1458a_100000070787_100011290775 [0,2,0,0,0,0|0,1,0]=3 2189 B12R1.54 CC(=O)CNC(=O)c1ccco1 1458a_200000183647_200000210301 [0,2,0,0,0,0|0,0,1]=3 2190 B12R1.54 CC(=O)CNC(=O)c1cccs1 1458a_100000183069_200000210301 [0,2,0,0,0,0|0,1,1]=4 2191 B12R1.54 CC(=O)NNC(=O)c1ccco1 22a_100000185077_100000070787 [0,2,0,0,0,0|1,0,1]=4 2192 B12R1.54 CC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000210760 [0,2,0,0,0,0|1,0,1]=4 2193 B12R1.54 CC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000210432 [0,2,0,0,0,0|1,0,1]=4 2194 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000210624 [0,2,0,0,0,0|1,0,1]=4 2195 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000210760 [0,2,0,0,0,0|1,0,1]=4 2196 B12R1.54 CC(C)NCC(=O)c1cccs1 2230a_100138425928_100000211436 [0,2,0,0,0,0|0,1,0]=3 2197 B12R1.54 CC(C)NCC(=O)c1ccsc1 2230a_100138425928_100011219462 [0,2,0,0,0,0|2,0,0]=4 2198 B12R1.54 CC(C)NCC(=O)c1ccsc1 34a_100138425928_100011219462 [0,2,0,0,0,0|2,0,0]=4 2199 B12R1.54 CC(C)NCC(=O)n1cccn1 2230a_100138425928_100000077511 [0,2,0,0,0,0|2,0,0]=4 2200 B12R1.54 CC(C)NCC(O)c1ccco1 2230a_100000738650_100000210206 [0,2,0,0,0,0|0,0,2]=4 2201 B12R1.54 CC(C)OCC(=O)c1ccsc1 34a_100000212225_100011219462 [0,2,0,0,0,0|2,0,0]=4 2202 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_100000210206_200011262396 [0,2,0,0,0,0|1,0,0]=3 2203 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000210206 [0,2,0,0,0,0|1,0,0]=3 2204 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000210206_100000211439 [0,2,0,0,0,0|0,0,0]=2 2205 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000211439_100000210206 [0,2,0,0,0,0|0,0,0]=2 2206 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000210206_100000211436 [0,2,0,0,0,0|0,1,0]=3 2207 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000211436_100000210206 [0,2,0,0,0,0|0,1,0]=3 2208 B12R1.54 CC(C)SCC(=O)c1ccsc1 62a_100000210206_100011219462 [0,2,0,0,0,0|2,0,0]=4 2209 B12R1.54 CC(C)SCC(=O)c1ccsc1 62a_100011219462_100000210206 [0,2,0,0,0,0|2,0,0]=4 2210 B12R1.54 CC(C)SCC(=O)c1nccs1 62a_100000210206_100000718653 [0,2,0,0,0,0|1,1,0]=4 2211 B12R1.54 CC(C)SCC(=O)c1nccs1 62a_100000718653_100000210206 [0,2,0,0,0,0|1,1,0]=4 2212 B12R1.54 CC(C)SCC(=O)n1cccn1 62a_100000077511_100000210206 [0,2,0,0,0,0|2,0,0]=4 2213 B12R1.54 CC(C)SCC(=O)n1cccn1 62a_100000210206_100000077511 [0,2,0,0,0,0|2,0,0]=4 2214 B12R1.54 CC(O)CN[C@H](C)c1ccco1 2230a_100160469435_100011218427 [0,2,0,0,0,0|1,0,1]=4 2215 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011218427 [0,2,0,0,0,0|1,0,1]=4 2216 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011218427 [0,2,0,0,0,0|1,0,1]=4 2217 B12R1.54 CN(C)CCC(=O)c1cccs1 2230a_100102631434_100011290775 [0,2,0,0,0,0|0,1,0]=3 2218 B12R1.54 CN(C)CCC(=O)c1cccs1 269982a_100102631434_100011290775 [0,2,0,0,0,0|0,1,0]=3 2219 B12R1.54 C[C@@H](O)CN[C@H](C)c1ccco1 2230a_100160469435_100009817552 [0,2,0,0,0,0|1,0,1]=4 2220 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 34a_100000755270_100009817552 [0,2,0,0,0,0|1,0,1]=4 2221 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 7a_100000755270_100009817552 [0,2,0,0,0,0|1,0,1]=4 2222 B12R1.54 [13CH3]C(=O)CNC(=O)c1ccco1 1458a_200000183647_200025704644 [0,2,0,0,0,0|0,0,1]=3 2223 B12R1.54 [13CH3]C(=O)CNC(=O)c1cccs1 1458a_100000183069_200025704644 [0,2,0,0,0,0|0,1,1]=4 2224 B12R1.99 CCCNS(=O)(=O)c1ccco1 270084a_100020643023_200000702926 [0,2,0,0,0,0|1,0,0]=3 2225 B12R1.99 CCCNS(=O)(=O)c1ccco1 274078a_100020643023_200000702926 [0,2,0,0,0,0|1,0,0]=3 2226 B12R1.99 CCCNS(=O)(=O)c1cccs1 270084a_100020643023_100000205146 [0,2,0,0,0,0|1,1,0]=4 2227 B12R1.99 CCCNS(=O)(=O)c1cccs1 274078a_100020643023_100000205146 [0,2,0,0,0,0|1,1,0]=4 2228 B12R1.99 CCCNS(=O)(=O)c1cccs1 40a_100020643023_200000102146 [0,2,0,0,0,0|1,1,0]=4 2229 B12R1.99 O=S(=O)(NCCF)c1ccco1 270084a_100000724931_200000702926 [0,2,0,0,0,0|2,0,0]=4 2230 B12R1.99 O=S(=O)(NCCF)c1ccco1 274078a_100000724931_200000702926 [0,2,0,0,0,0|2,0,0]=4 2231 B12R1.99 O=S(=O)(NCCO)c1ccco1 270084a_100000210304_200000702926 [0,2,0,0,0,0|2,0,0]=4 2232 B12R1.99 O=S(=O)(NCCO)c1ccco1 274078a_100000210304_200000702926 [0,2,0,0,0,0|2,0,0]=4 2233 B12R1.460 CCNCC(=O)c1cccn1C 2230a_100015525214_200011262399 [0,2,0,0,0,0|1,0,0]=3 2234 B12R1.460 CCNCC(=O)c1sccc1Br 2230a_100015525214_100000740827 [0,2,0,0,0,0|0,1,0]=3 2235 B12R1.460 CCOCC(=O)c1cccn1C 34a_100121572206_200011262399 [0,2,0,0,0,0|1,0,0]=3 2236 B12R1.460 CCOCC(=O)c1nccn1C 34a_100121572206_100010243886 [0,2,0,0,0,0|2,0,0]=4 2237 B12R1.460 CCOCC(=O)c1sccc1Br 34a_100121572206_100000740827 [0,2,0,0,0,0|0,1,0]=3 2238 B12R1.460 CCSCC(=O)c1cccn1C 62a_100000210202_200011262399 [0,2,0,0,0,0|1,0,0]=3 2239 B12R1.460 CCSCC(=O)c1cccn1C 62a_200011262399_100000210202 [0,2,0,0,0,0|1,0,0]=3 2240 B12R1.460 CCSCC(=O)c1nccn1C 62a_100000210202_100010243886 [0,2,0,0,0,0|2,0,0]=4 2241 B12R1.460 CCSCC(=O)c1nccn1C 62a_100010243886_100000210202 [0,2,0,0,0,0|2,0,0]=4 2242 B12R1.460 CCSCC(=O)c1sccc1Br 62a_100000740827_100000210202 [0,2,0,0,0,0|0,1,0]=3 2243 B12R1.460 Cn1cccc1C(=O)CSCF 62a_100015361967_200011262399 [0,2,0,0,0,0|2,0,0]=4 2244 B12R1.460 Cn1cccc1C(=O)CSCF 62a_200011262399_100015361967 [0,2,0,0,0,0|2,0,0]=4 2245 B12R1.460 O=C(CSCF)c1sccc1Br 62a_100000740827_100015361967 [0,2,0,0,0,0|1,1,0]=4 2246 B12R1.120 CC(=O)C(C)C(=O)c1cccs1 1458a_100000070787_100011262360 [0,2,0,0,0,0|0,1,1]=4 2247 B12R1.120 CC(C(=O)c1cccs1)N(C)C 2230a_100102631434_100011262360 [0,2,0,0,0,0|1,1,0]=4 2248 B12R1.120 CC(C(=O)c1cccs1)N(C)C 269982a_100102631434_100011262360 [0,2,0,0,0,0|1,1,0]=4 2249 B12R1.473 CCN(C)S(=O)(=O)c1ccco1 270084a_100000225621_200000702926 [0,2,0,0,0,0|2,0,0]=4 2250 B12R1.473 CCN(C)S(=O)(=O)c1ccco1 274078a_100000225621_200000702926 [0,2,0,0,0,0|2,0,0]=4 2251 B12R1.259 CC(C)NS(=O)(=O)c1ccco1 270084a_100138425928_200000702926 [0,2,0,0,0,0|2,0,0]=4 2252 B12R1.259 CC(C)NS(=O)(=O)c1ccco1 274078a_100138425928_200000702926 [0,2,0,0,0,0|2,0,0]=4 2253 B12R1.144 CC(=O)CC(=O)c1cccn1C 1458a_100000070787_200011262399 [0,2,0,0,0,0|1,0,1]=4 2254 B12R1.144 CC(=O)CC(=O)c1sccc1Br 1458a_100000070787_100000740827 [0,2,0,0,0,0|0,1,1]=4 2255 B12R1.144 CN(C)CC(=O)c1cccn1C 2230a_100102631434_200011262399 [0,2,0,0,0,0|2,0,0]=4 2256 B12R1.144 CN(C)CC(=O)c1cccn1C 269982a_100102631434_200011262399 [0,2,0,0,0,0|2,0,0]=4 2257 B12R1.144 CN(C)CC(=O)c1sccc1Br 2230a_100102631434_100000740827 [0,2,0,0,0,0|1,1,0]=4 2258 B12R1.144 CN(C)CC(=O)c1sccc1Br 269982a_100102631434_100000740827 [0,2,0,0,0,0|1,1,0]=4 2259 B12R1.316 C=Cc1ncoc1C(=O)OCC 271570a_100011290941_100010260153 [0,2,0,0,0,0|2,0,0]=4 2260 B12R1.316 CCOC(=O)c1ocnc1SC 62a_200000210301_100010260153 [0,2,0,0,0,0|2,0,0]=4 2261 B12R1.316 CCOC(=O)c1ocnc1S[13CH3] 62a_200025704644_100010260153 [0,2,0,0,0,0|2,0,0]=4 2262 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [0,0,1,1,0,0|1,0,0]=3 2263 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [0,0,1,1,0,0|2,0,0]=4 2264 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [0,0,1,1,0,0|2,0,0]=4 2265 B10R1.10 CCNc1cccc(n1)O 271570a_203496583355_200020678610 [0,0,1,1,0,0|2,0,0]=4 2266 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [0,0,1,1,0,0|2,0,0]=4 2267 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [0,0,1,1,0,0|2,0,0]=4 2268 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [0,0,1,1,0,0|2,0,0]=4 2269 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [0,0,1,1,0,0|2,0,0]=4 2270 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [0,0,1,1,0,0|2,0,0]=4 2271 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [0,0,1,1,0,0|2,0,0]=4 2272 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [0,0,1,1,0,0|2,0,0]=4 2273 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [0,0,1,1,0,0|2,0,0]=4 2274 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [0,0,1,1,0,0|2,0,0]=4 2275 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [0,0,1,1,0,0|2,0,0]=4 2276 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [0,0,1,1,0,0|2,0,0]=4 2277 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [0,0,1,1,0,0|2,0,0]=4 2278 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [0,0,1,1,0,0|2,0,0]=4 2279 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [0,0,1,1,0,0|2,0,0]=4 2280 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [0,0,1,1,0,0|2,0,0]=4 2281 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [0,0,1,1,0,0|2,0,0]=4 2282 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [0,0,1,1,0,0|2,0,0]=4 2283 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [0,0,1,1,0,0|2,0,0]=4 2284 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [0,0,1,1,0,0|2,0,0]=4 2285 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [0,0,1,1,0,0|2,0,0]=4 2286 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [0,0,1,1,0,0|2,0,0]=4 2287 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [0,0,1,1,0,0|2,0,0]=4 2288 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [0,0,1,1,0,0|2,0,0]=4 2289 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [0,0,1,1,0,0|2,0,0]=4 2290 B10R1.96 C=Cc1ccc(s1)CCC 271570a_100011290941_100010157708 [0,0,1,1,0,0|1,1,0]=4 2291 B10R1.186 C=CCOCC(=O)C1CC1 34a_100000686663_100015514636 [0,0,1,1,0,0|0,0,2]=4 2292 B10R1.186 C=CCOCC(=O)C1CC1 34a_200000210373_100000746382 [0,0,1,1,0,0|0,0,2]=4 2293 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [0,0,1,1,0,0|0,0,2]=4 2294 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [0,0,1,1,0,0|2,0,0]=4 2295 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [0,0,1,1,0,0|2,0,0]=4 2296 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [0,0,1,1,0,0|2,0,0]=4 2297 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [0,0,1,1,0,0|2,0,0]=4 2298 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [0,0,1,1,0,0|2,0,0]=4 2299 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [0,0,1,1,0,0|2,0,0]=4 2300 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [0,0,1,1,0,0|2,0,0]=4 2301 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [0,0,1,1,0,0|2,0,0]=4 2302 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [0,0,1,1,0,0|2,0,0]=4 2303 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [0,0,1,1,0,0|2,0,0]=4 2304 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [0,0,1,1,0,0|2,0,0]=4 2305 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [0,0,1,1,0,0|2,0,0]=4 2306 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [0,0,1,1,0,0|2,0,0]=4 2307 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [0,0,1,1,0,0|2,0,0]=4 2308 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [0,0,1,1,0,0|2,0,0]=4 2309 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [0,0,1,1,0,0|2,0,0]=4 2310 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [0,0,1,1,0,0|2,0,0]=4 2311 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [0,0,1,1,0,0|2,0,0]=4 2312 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [0,0,1,1,0,0|2,0,0]=4 2313 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [0,0,1,1,0,0|2,0,0]=4 2314 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [0,0,1,1,0,0|2,0,0]=4 2315 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [0,0,1,1,0,0|2,0,0]=4 2316 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [0,0,1,1,0,0|2,0,0]=4 2317 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [0,0,1,1,0,0|2,0,0]=4 2318 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [1,0,0,1,0,0|1,0,0]=3 2319 B10R2.193 c1coc(n1)SC2CC2 62a_100011787736_100000211595 [1,0,0,1,0,0|2,0,0]=4 2320 B10R2.193 c1csc(c1)SC2CC2 62a_100011215356_100000211595 [1,0,0,1,0,0|1,1,0]=4 2321 B10R2.193 c1ncc(o1)SC2CC2 62a_100020591547_100000211595 [1,0,0,1,0,0|2,0,0]=4 2322 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,1,0,1|2,0,0]=4 2323 B12R2.2 C1=C(CCC1)c2ccccn2 271570a_100000089523_100011216584 [0,0,0,1,0,1|2,0,0]=4 2324 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [0,0,0,1,0,1|2,0,0]=4 2325 B12R2.2 C1=C(CCC1)c2cccnn2 271570a_100000089523_100016991348 [0,0,0,1,0,1|2,0,0]=4 2326 B12R2.2 C1=C(CCC1)c2ccncc2 271570a_100000089523_100000035832 [0,0,0,1,0,1|2,0,0]=4 2327 B12R2.2 C1=C(CCC1)c2ccncn2 271570a_100000089523_100000703185 [0,0,0,1,0,1|2,0,0]=4 2328 B12R2.2 C1=C(CCC1)c2cnccn2 271570a_100000089523_100000758340 [0,0,0,1,0,1|2,0,0]=4 2329 B12R2.2 C1=C(CCC1)c2ncccn2 271570a_100000089523_100000211032 [0,0,0,1,0,1|2,0,0]=4 2330 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,0,0,1,0,1|2,0,0]=4 2331 B12R2.2075 C=C(c1ccccn1)C2CC2 271570a_100010895485_100011216584 [0,0,0,1,0,1|2,0,0]=4 2332 B12R2.2075 C=C(c1cccnc1)C2CC2 271570a_100010895485_100000752921 [0,0,0,1,0,1|2,0,0]=4 2333 B12R2.2075 C=C(c1cccnn1)C2CC2 271570a_100010895485_100016991348 [0,0,0,1,0,1|2,0,0]=4 2334 B12R2.2075 C=C(c1ccncc1)C2CC2 271570a_100010895485_100000035832 [0,0,0,1,0,1|2,0,0]=4 2335 B12R2.2075 C=C(c1ccncn1)C2CC2 271570a_100010895485_100000703185 [0,0,0,1,0,1|2,0,0]=4 2336 B12R2.2075 C=C(c1cnccn1)C2CC2 271570a_100010895485_100000758340 [0,0,0,1,0,1|2,0,0]=4 2337 B12R2.2075 C=C(c1ncccn1)C2CC2 271570a_100010895485_100000211032 [0,0,0,1,0,1|2,0,0]=4 2338 B12R2.10 CN1CCCC1c2ccco2 2230a_100011206061_200000210301 [0,0,0,1,0,1|2,0,0]=4 2339 B12R2.10 CN1CCCC1c2ccco2 269982a_100011206061_200000210301 [0,0,0,1,0,1|2,0,0]=4 2340 B12R2.10 [13CH3]N1CCCC1c2ccco2 2230a_100011206061_200025704644 [0,0,0,1,0,1|2,0,0]=4 2341 B12R2.10 [13CH3]N1CCCC1c2ccco2 269982a_100011206061_200025704644 [0,0,0,1,0,1|2,0,0]=4 2342 B12R2.98 C(=C1CCCC1)c2ccco2 271570a_100010378317_100009814098 [0,0,0,1,0,1|1,0,0]=3 2343 B12R2.98 C(=C1CCCC1)c2cccs2 271570a_100010378317_100011215356 [0,0,0,1,0,1|1,1,0]=4 2344 B12R2.98 C(=C1CCCC1)c2cnco2 271570a_100010378317_100020591547 [0,0,0,1,0,1|2,0,0]=4 2345 B12R2.98 C(=C1CCCC1)c2ncco2 271570a_100010378317_100011787736 [0,0,0,1,0,1|2,0,0]=4 2346 B12R2.98 c1coc(c1)CN2CCCC2 270004a_100000188435_100000186105 [0,0,0,1,0,1|2,0,0]=4 2347 B12R2.98 c1coc(c1)SC2CCCC2 62a_100009814098_100000179811 [0,0,0,1,0,1|1,0,1]=4 2348 B12R2.98 c1coc(c1)SC2CCCC2 62a_100011217020_100009814098 [0,0,0,1,0,1|1,0,1]=4 2349 B12R2.136 CC1CN(C1)Cc2ccco2 270004a_100000702820_100000186105 [0,0,0,1,0,1|2,0,0]=4 2350 B12R2.1423 CN(Cc1ccco1)C2CC2 2230a_100000201577_200000210301 [0,0,0,1,0,1|2,0,0]=4 2351 B12R2.1423 CN(Cc1ccco1)C2CC2 269982a_100000185268_100000211595 [0,0,0,1,0,1|2,0,0]=4 2352 B12R2.1423 CN(Cc1ccco1)C2CC2 269982a_100000201577_200000210301 [0,0,0,1,0,1|2,0,0]=4 2353 B12R2.1423 CN(Cc1ccco1)C2CC2 270004a_100000226674_100000186105 [0,0,0,1,0,1|2,0,0]=4 2354 B12R2.1423 CN(Cc1ccco1)C2CC2 34a_100000201577_200000210301 [0,0,0,1,0,1|2,0,0]=4 2355 B12R2.1423 O=C(Cc1c[nH]cn1)C2CC2 1458a_100000210395_100000707719 [0,0,0,1,0,1|2,0,0]=4 2356 B12R2.1423 O=C(Cc1ccn[nH]1)C2CC2 1458a_100000210395_100000728653 [0,0,0,1,0,1|2,0,0]=4 2357 B12R2.1423 O=C(Cc1ccon1)C2CC2 1458a_100000210395_100000234950 [0,0,0,1,0,1|2,0,0]=4 2358 B12R2.1423 O=C(Cc1ccsc1)C2CC2 1458a_100000210395_100011233845 [0,0,0,1,0,1|2,0,0]=4 2359 B12R2.1423 O=C(Cc1cncs1)C2CC2 1458a_100000210395_100015185245 [0,0,0,1,0,1|1,1,0]=4 2360 B12R2.1423 O=C(Cc1cscn1)C2CC2 1458a_100000210395_100000205941 [0,0,0,1,0,1|2,0,0]=4 2361 B12R2.1423 O=C(Cc1ncco1)C2CC2 1458a_100000210395_103436540062 [0,0,0,1,0,1|1,0,0]=3 2362 B12R2.1423 O=C(Cc1ncco1)C2CO2 1458a_100000701028_103436540062 [0,0,0,1,0,1|2,0,0]=4 2363 B12R2.1423 O=C(Cc1nccs1)C2CC2 1458a_100000210395_100015184050 [0,0,0,1,0,1|1,1,0]=4 2364 B12R2.1423 [13CH3]N(Cc1ccco1)C2CC2 2230a_100000201577_200025704644 [0,0,0,1,0,1|2,0,0]=4 2365 B12R2.1423 [13CH3]N(Cc1ccco1)C2CC2 269982a_100000201577_200025704644 [0,0,0,1,0,1|2,0,0]=4 2366 B12R2.1423 [13CH3]N(Cc1ccco1)C2CC2 34a_100000201577_200025704644 [0,0,0,1,0,1|2,0,0]=4 2367 B12R2.6 Brc1ccc(s1)C2=CCCC2 271570a_100000089523_100010197418 [0,1,0,1,0,0|1,1,0]=4 2368 B12R2.6 Cc1ccc(s1)C2=CCCC2 271570a_100000089523_100000761539 [0,1,0,1,0,0|1,1,0]=4 2369 B12R2.6 Cc1csc(c1)C2=CCCC2 271570a_100000089523_100009876951 [0,1,0,1,0,0|1,1,0]=4 2370 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [0,1,0,1,0,0|1,0,1]=4 2371 B12R2.315 CNC1CCCc2c1occ2 269862a_106832991636_100009877200 [0,1,0,1,0,0|1,0,1]=4 2372 B12R2.202 O=C1CCCc2c1sc(n2)O 271570a_203496583355_100010177431 [0,1,0,1,0,0|1,1,0]=4 2373 B12R2.2299 C=C(c1cc(cs1)C)C2CC2 271570a_100010895485_100009876951 [0,1,0,1,0,0|1,1,0]=4 2374 B12R2.2299 C=C(c1ccc(s1)Br)C2CC2 271570a_100010895485_100010197418 [0,1,0,1,0,0|1,1,0]=4 2375 B12R2.2299 C=C(c1ccc(s1)C)C2CC2 271570a_100010895485_100000761539 [0,1,0,1,0,0|1,1,0]=4 2376 B12R2.2074 C[C@H](OC1CC1)c2ccco2 34a_100000755270_100000211595 [0,1,0,1,0,0|1,0,1]=4 2377 B12R2.2372 C=C(c1sccc1Br)C2CC2 271570a_100010895485_100012361411 [0,1,0,1,0,0|1,1,0]=4 2378 B12R2.2372 C=C(c1sccc1C)C2CC2 271570a_100010895485_100000742657 [0,1,0,1,0,0|1,1,0]=4 2379 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,0,0,2,0|0,0,2]=4 2380 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [1,0,0,0,0,1|0,0,2]=4 2381 B10R1.15 CCC(=O)C1=COCCO1 1458a_100000008702_100000210202 [1,0,0,0,0,1|0,0,2]=4 2382 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,0,1|1,0,0]=3 2383 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,0,1|2,0,0]=4 2384 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,0,1|2,0,0]=4 2385 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,0,1|2,0,0]=4 2386 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,0,1|2,0,0]=4 2387 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,0,0,0,1|2,0,0]=4 2388 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,1|1,0,1]=4 2389 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,1|1,0,1]=4 2390 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,1|1,0,1]=4 2391 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,1|1,0,1]=4 2392 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,1|1,0,1]=4 2393 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,1|1,0,1]=4 2394 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,1|1,0,1]=4 2395 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,1|1,0,1]=4 2396 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,1|2,0,0]=4 2397 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,1|2,0,0]=4 2398 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,1|2,0,0]=4 2399 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,1|2,0,0]=4 2400 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,1|2,0,0]=4 2401 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,1|2,0,0]=4 2402 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,1|2,0,0]=4 2403 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,1|2,0,0]=4 2404 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,1|2,0,0]=4 2405 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,1|2,0,0]=4 2406 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,1|2,0,0]=4 2407 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,1|2,0,0]=4 2408 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [1,0,0,0,0,1|2,0,0]=4 2409 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [1,0,0,0,0,1|2,0,0]=4 2410 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,1|2,0,0]=4 2411 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,1|2,0,0]=4 2412 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [1,0,0,0,0,1|2,0,0]=4 2413 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [1,0,0,0,0,1|2,0,0]=4 2414 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [1,0,0,0,0,1|2,0,0]=4 2415 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [1,0,0,0,0,1|2,0,0]=4 2416 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [1,0,0,0,0,1|2,0,0]=4 2417 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [1,0,0,0,0,1|2,0,0]=4 2418 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,0,0,0,0,2|2,0,0]=4 2419 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,0,0,0,0,2|1,0,0]=3 2420 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,0,0,0,0,2|1,0,0]=3 2421 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,0,0,0,0,2|1,0,0]=3 2422 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,0,0,0,0,2|1,0,0]=3 2423 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,0,0,0,0,2|1,0,0]=3 2424 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,0,0,0,0,2|1,0,0]=3 2425 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,0,0,0,0,2|1,0,0]=3 2426 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,0,0,0,0,2|1,0,0]=3 2427 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000211992_100015196519 [0,0,0,0,0,2|2,0,0]=4 2428 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000721575_100000210303 [0,0,0,0,0,2|2,0,0]=4 2429 B12R1.32 CCCC(=O)Cc1ncccn1 1458a_100000211992_100000703007 [0,0,0,0,0,2|1,0,0]=3 2430 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,0,0,0,0,2|1,0,0]=3 2431 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,0,0,0,0,2|1,0,0]=3 2432 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,0,0,0,0,2|1,0,0]=3 2433 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,0,0,0,0,2|1,0,0]=3 2434 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,0,0,0,0,2|2,0,0]=4 2435 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,0,0,0,0,2|2,0,0]=4 2436 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,0,0,0,0,2|2,0,0]=4 2437 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,0,0,0,0,2|2,0,0]=4 2438 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,0,0,0,0,2|2,0,0]=4 2439 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,0,0,0,0,2|2,0,0]=4 2440 B12R1.32 CCNC(=O)Cc1cnccn1 11a_100015525214_100000726051 [0,0,0,0,0,2|2,0,0]=4 2441 B12R1.32 CCNC(=O)Cc1cnccn1 240690a_100015525214_100000726051 [0,0,0,0,0,2|2,0,0]=4 2442 B12R1.32 CCNC(=O)Cc1cnccn1 527a_100015525214_100000726051 [0,0,0,0,0,2|2,0,0]=4 2443 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,0,0,0,0,2|2,0,0]=4 2444 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,0,0,0,0,2|2,0,0]=4 2445 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,0,0,0,0,2|2,0,0]=4 2446 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,0,0,0,0,2|2,0,0]=4 2447 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,0,0,0,0,2|2,0,0]=4 2448 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,0,0,0,0,2|2,0,0]=4 2449 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,0,0,0,0,2|2,0,0]=4 2450 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,0,0,0,0,2|2,0,0]=4 2451 B12R1.32 CNCC(=O)Nc1ccncc1 2230a_106832991635_100000754145 [0,0,0,0,0,2|2,0,0]=4 2452 B12R1.32 CNCC(=O)Nc1ccncc1 7a_106832991635_100000754145 [0,0,0,0,0,2|2,0,0]=4 2453 B12R1.32 CNCC(=O)Nc1ncccn1 7a_106832991635_100000183248 [0,0,0,0,0,2|2,0,0]=4 2454 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,0,0,0,0,2|2,0,0]=4 2455 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,0,0,0,0,2|2,0,0]=4 2456 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,0,0,0,0,2|2,0,0]=4 2457 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,0,0,0,0,2|2,0,0]=4 2458 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,0,0,0,0,2|2,0,0]=4 2459 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,0,0,0,0,2|2,0,0]=4 2460 B12R1.32 COCC(=O)Cc1cccnn1 1458a_100000210968_100016990269 [0,0,0,0,0,2|2,0,0]=4 2461 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,0,0,0,0,2|2,0,0]=4 2462 B12R1.32 COCC(=O)Cc1cnccn1 1458a_100000210968_100016995436 [0,0,0,0,0,2|2,0,0]=4 2463 B12R1.32 COCC(=O)Cc1ncccn1 1458a_100000210968_100000703007 [0,0,0,0,0,2|2,0,0]=4 2464 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,0,0,0,0,2|2,0,0]=4 2465 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,0,0,0,0,2|2,0,0]=4 2466 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,0,0,0,0,2|2,0,0]=4 2467 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,0,0,0,0,2|2,0,0]=4 2468 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,0,0,0,0,2|2,0,0]=4 2469 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,0,0,0,0,2|2,0,0]=4 2470 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,0,0,0,0,2|2,0,0]=4 2471 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,0,0,0,0,2|2,0,0]=4 2472 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,0,0,0,0,2|2,0,0]=4 2473 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,0,0,0,0,2|2,0,0]=4 2474 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,0,0,0,0,2|2,0,0]=4 2475 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,0,0,0,0,2|2,0,0]=4 2476 B12R1.32 CSCC(=O)Cc1cccnn1 1458a_100000184570_100016990269 [0,0,0,0,0,2|2,0,0]=4 2477 B12R1.32 CSCC(=O)Cc1ccncc1 1458a_100000184570_100000705612 [0,0,0,0,0,2|2,0,0]=4 2478 B12R1.32 CSCC(=O)Cc1cnccn1 1458a_100000184570_100016995436 [0,0,0,0,0,2|2,0,0]=4 2479 B12R1.32 CSCC(=O)Cc1ncccn1 1458a_100000184570_100000703007 [0,0,0,0,0,2|2,0,0]=4 2480 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,0,0,0,0,2|2,0,0]=4 2481 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,0,0,0,0,2|2,0,0]=4 2482 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,0,0,0,0,2|2,0,0]=4 2483 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,0,0,0,0,2|2,0,0]=4 2484 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,0,0,0,0,2|2,0,0]=4 2485 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,0,0,0,0,2|2,0,0]=4 2486 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,0,0,0,0,2|2,0,0]=4 2487 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,0,0,0,0,2|2,0,0]=4 2488 B12R1.32 CSCC(=O)Nc1ccncc1 62a_200000210301_100000754145 [0,0,0,0,0,2|2,0,0]=4 2489 B12R1.32 CSCC(=O)Nc1ncccn1 62a_100000183248_200000210301 [0,0,0,0,0,2|2,0,0]=4 2490 B12R1.32 CSCC(=O)Nc1ncccn1 62a_200000210301_100000183248 [0,0,0,0,0,2|2,0,0]=4 2491 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,0,0,0,0,2|2,0,0]=4 2492 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,0,0,0,0,2|2,0,0]=4 2493 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,0,0,0,0,2|2,0,0]=4 2494 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,0,0,0,0,2|2,0,0]=4 2495 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,0,0,0,0,2|2,0,0]=4 2496 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,0,0,0,0,2|2,0,0]=4 2497 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,0,0,0,0,2|2,0,0]=4 2498 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,0,0,0,0,2|2,0,0]=4 2499 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,0,0,0,0,2|2,0,0]=4 2500 B12R1.32 O=C(CCO)Cc1cccnn1 1458a_100011216618_100016990269 [0,0,0,0,0,2|2,0,0]=4 2501 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,0,0,0,0,2|2,0,0]=4 2502 B12R1.32 O=C(CCO)Cc1cnccn1 1458a_100011216618_100016995436 [0,0,0,0,0,2|2,0,0]=4 2503 B12R1.32 O=C(CCO)Cc1ncccn1 1458a_100011216618_100000703007 [0,0,0,0,0,2|2,0,0]=4 2504 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,0,0,0,0,2|2,0,0]=4 2505 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,0,0,0,0,2|2,0,0]=4 2506 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,0,0,0,0,2|2,0,0]=4 2507 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,0,0,0,0,2|2,0,0]=4 2508 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,0,0,0,0,2|2,0,0]=4 2509 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,0,0,0,0,2|2,0,0]=4 2510 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,0,0,0,0,2|2,0,0]=4 2511 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,0,0,0,0,2|2,0,0]=4 2512 B12R1.32 [13CH3]SCC(=O)Nc1ccncc1 62a_200025704644_100000754145 [0,0,0,0,0,2|2,0,0]=4 2513 B12R1.32 [13CH3]SCC(=O)Nc1ncccn1 62a_100000183248_200025704644 [0,0,0,0,0,2|2,0,0]=4 2514 B12R1.32 [13CH3]SCC(=O)Nc1ncccn1 62a_200025704644_100000183248 [0,0,0,0,0,2|2,0,0]=4 2515 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,0,0,0,0,2|2,0,0]=4 2516 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,0,0,0,0,2|2,0,0]=4 2517 B12R1.51 C#CCC(=O)CCc1ccco1 1458a_100000185103_100000184674 [0,0,0,0,0,2|0,0,2]=4 2518 B12R1.51 C#CCC(=O)NCc1ccco1 1626a_100000185738_100011220946 [0,0,0,0,0,2|0,0,2]=4 2519 B12R1.51 C#CCC(=O)NCc1ccco1 527a_100000185738_100011220946 [0,0,0,0,0,2|0,0,2]=4 2520 B12R1.51 C=CCC(=O)CCc1ccco1 1458a_100000185103_100000210623 [0,0,0,0,0,2|0,0,2]=4 2521 B12R1.51 C=CCC(=O)NCc1ccco1 11a_100000185738_100000210193 [0,0,0,0,0,2|0,0,2]=4 2522 B12R1.51 C=CCC(=O)NCc1ccco1 1626a_100000185738_100000210193 [0,0,0,0,0,2|0,0,2]=4 2523 B12R1.51 C=CCC(=O)NCc1ccco1 240690a_100000185738_100000210193 [0,0,0,0,0,2|0,0,2]=4 2524 B12R1.51 C=CCC(=O)NCc1ccco1 527a_100000185738_100000210193 [0,0,0,0,0,2|0,0,2]=4 2525 B12R1.51 CC=CC(=O)NCc1ccco1 11a_100000185738_100000210699 [0,0,0,0,0,2|0,0,2]=4 2526 B12R1.51 CC=CC(=O)NCc1ccco1 1626a_100000185738_100000210699 [0,0,0,0,0,2|0,0,2]=4 2527 B12R1.51 CC=CC(=O)NCc1ccco1 240690a_100000185738_100000210699 [0,0,0,0,0,2|0,0,2]=4 2528 B12R1.51 CCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210303 [0,0,0,0,0,2|2,0,0]=4 2529 B12R1.51 CCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210303 [0,0,0,0,0,2|0,1,0]=3 2530 B12R1.51 CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210303 [0,0,0,0,0,2|2,0,0]=4 2531 B12R1.51 CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210303 [0,0,0,0,0,2|2,0,0]=4 2532 B12R1.51 CCCC(=O)C=Cc1cscn1 1458a_200000747928_100000210303 [0,0,0,0,0,2|2,0,0]=4 2533 B12R1.51 CCCC(=O)C=Cc1nccs1 1458a_100102558208_100000210303 [0,0,0,0,0,2|1,1,0]=4 2534 B12R1.51 CCCC(=O)C=Cc1nccs1 6a_100000750902_100011215381 [0,0,0,0,0,2|1,1,0]=4 2535 B12R1.51 CCCC(=O)CCc1c[nH]cn1 1458a_100000211992_100020628418 [0,0,0,0,0,2|2,0,0]=4 2536 B12R1.51 CCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210303 [0,0,0,0,0,2|2,0,0]=4 2537 B12R1.51 CCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210303 [0,0,0,0,0,2|1,0,0]=3 2538 B12R1.51 CCCC(=O)CCc1ccco1 1458a_100000185103_100000210303 [0,0,0,0,0,2|0,0,0]=2 2539 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000185280_100000210303 [0,0,0,0,0,2|0,1,0]=3 2540 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000211992_100000748579 [0,0,0,0,0,2|0,1,0]=3 2541 B12R1.51 CCCC(=O)CCc1ccsc1 1458a_100000195497_100000210303 [0,0,0,0,0,2|2,0,0]=4 2542 B12R1.51 CCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210303 [0,0,0,0,0,2|2,0,0]=4 2543 B12R1.51 CCCC(=O)CCc1cncs1 1458a_100012184922_100000210303 [0,0,0,0,0,2|1,1,0]=4 2544 B12R1.51 CCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210303 [0,0,0,0,0,2|2,0,0]=4 2545 B12R1.51 CCCC(=O)CCc1nccs1 1458a_100000742873_100000210303 [0,0,0,0,0,2|1,1,0]=4 2546 B12R1.51 CCCC(=O)CCn1cccc1 1458a_100000211992_200000035178 [0,0,0,0,0,2|2,0,0]=4 2547 B12R1.51 CCCC(=O)CCn1cccc1 1458a_100011196273_100000210303 [0,0,0,0,0,2|2,0,0]=4 2548 B12R1.51 CCCC(=O)CCn1cccn1 1458a_100000211992_100000685285 [0,0,0,0,0,2|2,0,0]=4 2549 B12R1.51 CCCC(=O)CCn1cccn1 1458a_100000242649_100000210303 [0,0,0,0,0,2|2,0,0]=4 2550 B12R1.51 CCCC(=O)COc1ccsc1 7a_100000106738_100000747444 [0,0,0,0,0,2|2,0,0]=4 2551 B12R1.51 CCCC(=O)CSc1c[nH]cn1 62a_100000747444_100000756875 [0,0,0,0,0,2|2,0,0]=4 2552 B12R1.51 CCCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747444 [0,0,0,0,0,2|2,0,0]=4 2553 B12R1.51 CCCC(=O)CSc1cc[nH]n1 62a_100000062575_100000747444 [0,0,0,0,0,2|2,0,0]=4 2554 B12R1.51 CCCC(=O)CSc1cc[nH]n1 62a_100000747444_100000062575 [0,0,0,0,0,2|2,0,0]=4 2555 B12R1.51 CCCC(=O)CSc1ccco1 62a_100000747444_100009814098 [0,0,0,0,0,2|0,0,0]=2 2556 B12R1.51 CCCC(=O)CSc1ccco1 62a_100009814098_100000747444 [0,0,0,0,0,2|0,0,0]=2 2557 B12R1.51 CCCC(=O)CSc1cccs1 62a_100000747444_100011215356 [0,0,0,0,0,2|0,1,0]=3 2558 B12R1.51 CCCC(=O)CSc1cccs1 62a_100011215356_100000747444 [0,0,0,0,0,2|0,1,0]=3 2559 B12R1.51 CCCC(=O)CSc1ccoc1 62a_100000747444_100011215275 [0,0,0,0,0,2|2,0,0]=4 2560 B12R1.51 CCCC(=O)CSc1ccoc1 62a_100011215275_100000747444 [0,0,0,0,0,2|2,0,0]=4 2561 B12R1.51 CCCC(=O)CSc1ccon1 62a_100000747444_100009818083 [0,0,0,0,0,2|2,0,0]=4 2562 B12R1.51 CCCC(=O)CSc1ccon1 62a_100009818083_100000747444 [0,0,0,0,0,2|2,0,0]=4 2563 B12R1.51 CCCC(=O)CSc1ccsc1 62a_100000738268_100000747444 [0,0,0,0,0,2|2,0,0]=4 2564 B12R1.51 CCCC(=O)CSc1ccsc1 62a_100000747444_100000738268 [0,0,0,0,0,2|2,0,0]=4 2565 B12R1.51 CCCC(=O)CSc1ccsn1 62a_100000747444_100009818082 [0,0,0,0,0,2|2,0,0]=4 2566 B12R1.51 CCCC(=O)CSc1ccsn1 62a_100009818082_100000747444 [0,0,0,0,0,2|2,0,0]=4 2567 B12R1.51 CCCC(=O)CSc1cnco1 62a_100000747444_100020591547 [0,0,0,0,0,2|1,0,0]=3 2568 B12R1.51 CCCC(=O)CSc1cnco1 62a_100020591547_100000747444 [0,0,0,0,0,2|1,0,0]=3 2569 B12R1.51 CCCC(=O)CSc1cncs1 62a_100000747444_100011934649 [0,0,0,0,0,2|1,1,0]=4 2570 B12R1.51 CCCC(=O)CSc1cncs1 62a_100011934649_100000747444 [0,0,0,0,0,2|1,1,0]=4 2571 B12R1.51 CCCC(=O)CSc1cscn1 62a_100000747444_100000751502 [0,0,0,0,0,2|2,0,0]=4 2572 B12R1.51 CCCC(=O)CSc1cscn1 62a_100000751502_100000747444 [0,0,0,0,0,2|2,0,0]=4 2573 B12R1.51 CCCC(=O)CSc1ncc[nH]1 62a_100000747444_100025796157 [0,0,0,0,0,2|2,0,0]=4 2574 B12R1.51 CCCC(=O)CSc1ncc[nH]1 62a_100025796157_100000747444 [0,0,0,0,0,2|2,0,0]=4 2575 B12R1.51 CCCC(=O)CSc1ncco1 62a_100000747444_100011787736 [0,0,0,0,0,2|1,0,0]=3 2576 B12R1.51 CCCC(=O)CSc1ncco1 62a_100011787736_100000747444 [0,0,0,0,0,2|1,0,0]=3 2577 B12R1.51 CCCC(=O)CSc1nccs1 62a_100000211983_100000747444 [0,0,0,0,0,2|1,1,0]=4 2578 B12R1.51 CCCC(=O)CSc1nccs1 62a_100000747444_100000211983 [0,0,0,0,0,2|1,1,0]=4 2579 B12R1.51 CCCC(=O)NCc1c[nH]cn1 11a_100000758547_100000211992 [0,0,0,0,0,2|2,0,0]=4 2580 B12R1.51 CCCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000211992 [0,0,0,0,0,2|2,0,0]=4 2581 B12R1.51 CCCC(=O)NCc1c[nH]cn1 527a_100000758547_100000211992 [0,0,0,0,0,2|2,0,0]=4 2582 B12R1.51 CCCC(=O)NCc1cc[nH]n1 11a_100000739516_100000211992 [0,0,0,0,0,2|2,0,0]=4 2583 B12R1.51 CCCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000211992 [0,0,0,0,0,2|2,0,0]=4 2584 B12R1.51 CCCC(=O)NCc1cc[nH]n1 527a_100000739516_100000211992 [0,0,0,0,0,2|2,0,0]=4 2585 B12R1.51 CCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000211992 [0,0,0,0,0,2|1,0,0]=3 2586 B12R1.51 CCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000211992 [0,0,0,0,0,2|1,0,0]=3 2587 B12R1.51 CCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000211992 [0,0,0,0,0,2|1,0,0]=3 2588 B12R1.51 CCCC(=O)NCc1ccco1 11a_100000185738_100000211992 [0,0,0,0,0,2|0,0,0]=2 2589 B12R1.51 CCCC(=O)NCc1ccco1 1626a_100000185738_100000211992 [0,0,0,0,0,2|0,0,0]=2 2590 B12R1.51 CCCC(=O)NCc1ccco1 240690a_100000185738_100000211992 [0,0,0,0,0,2|0,0,0]=2 2591 B12R1.51 CCCC(=O)NCc1ccco1 527a_100000185738_100000211992 [0,0,0,0,0,2|0,0,0]=2 2592 B12R1.51 CCCC(=O)NCc1cccs1 11a_100000211653_100000211992 [0,0,0,0,0,2|0,1,0]=3 2593 B12R1.51 CCCC(=O)NCc1cccs1 1626a_100000211653_100000211992 [0,0,0,0,0,2|0,1,0]=3 2594 B12R1.51 CCCC(=O)NCc1cccs1 240690a_100000211653_100000211992 [0,0,0,0,0,2|0,1,0]=3 2595 B12R1.51 CCCC(=O)NCc1cccs1 527a_100000211653_100000211992 [0,0,0,0,0,2|0,1,0]=3 2596 B12R1.51 CCCC(=O)NCc1ccoc1 11a_100015206860_100000211992 [0,0,0,0,0,2|2,0,0]=4 2597 B12R1.51 CCCC(=O)NCc1ccoc1 1626a_100015206860_100000211992 [0,0,0,0,0,2|2,0,0]=4 2598 B12R1.51 CCCC(=O)NCc1ccoc1 240690a_100015206860_100000211992 [0,0,0,0,0,2|2,0,0]=4 2599 B12R1.51 CCCC(=O)NCc1ccoc1 527a_100015206860_100000211992 [0,0,0,0,0,2|2,0,0]=4 2600 B12R1.51 CCCC(=O)NCc1ccon1 11a_100000688301_100000211992 [0,0,0,0,0,2|2,0,0]=4 2601 B12R1.51 CCCC(=O)NCc1ccon1 240690a_100000688301_100000211992 [0,0,0,0,0,2|2,0,0]=4 2602 B12R1.51 CCCC(=O)NCc1ccon1 527a_100000688301_100000211992 [0,0,0,0,0,2|2,0,0]=4 2603 B12R1.51 CCCC(=O)NCc1ccsc1 11a_100000186416_100000211992 [0,0,0,0,0,2|2,0,0]=4 2604 B12R1.51 CCCC(=O)NCc1ccsc1 1626a_100000186416_100000211992 [0,0,0,0,0,2|2,0,0]=4 2605 B12R1.51 CCCC(=O)NCc1ccsc1 240690a_100000186416_100000211992 [0,0,0,0,0,2|2,0,0]=4 2606 B12R1.51 CCCC(=O)NCc1ccsc1 527a_100000186416_100000211992 [0,0,0,0,0,2|2,0,0]=4 2607 B12R1.51 CCCC(=O)NCc1cnco1 11a_100020634212_100000211992 [0,0,0,0,0,2|1,0,0]=3 2608 B12R1.51 CCCC(=O)NCc1cnco1 240690a_100020634212_100000211992 [0,0,0,0,0,2|1,0,0]=3 2609 B12R1.51 CCCC(=O)NCc1cnco1 527a_100020634212_100000211992 [0,0,0,0,0,2|1,0,0]=3 2610 B12R1.51 CCCC(=O)NCc1cncs1 11a_100016987365_100000211992 [0,0,0,0,0,2|1,1,0]=4 2611 B12R1.51 CCCC(=O)NCc1cncs1 240690a_100016987365_100000211992 [0,0,0,0,0,2|1,1,0]=4 2612 B12R1.51 CCCC(=O)NCc1cncs1 527a_100016987365_100000211992 [0,0,0,0,0,2|1,1,0]=4 2613 B12R1.51 CCCC(=O)NCc1cocn1 11a_100015188801_100000211992 [0,0,0,0,0,2|2,0,0]=4 2614 B12R1.51 CCCC(=O)NCc1cocn1 240690a_100015188801_100000211992 [0,0,0,0,0,2|2,0,0]=4 2615 B12R1.51 CCCC(=O)NCc1cocn1 527a_100015188801_100000211992 [0,0,0,0,0,2|2,0,0]=4 2616 B12R1.51 CCCC(=O)NCc1cscn1 11a_100015185402_100000211992 [0,0,0,0,0,2|2,0,0]=4 2617 B12R1.51 CCCC(=O)NCc1cscn1 1626a_100015185402_100000211992 [0,0,0,0,0,2|2,0,0]=4 2618 B12R1.51 CCCC(=O)NCc1cscn1 240690a_100015185402_100000211992 [0,0,0,0,0,2|2,0,0]=4 2619 B12R1.51 CCCC(=O)NCc1cscn1 527a_100015185402_100000211992 [0,0,0,0,0,2|2,0,0]=4 2620 B12R1.51 CCCC(=O)NCc1ncc[nH]1 11a_100000754540_100000211992 [0,0,0,0,0,2|2,0,0]=4 2621 B12R1.51 CCCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000211992 [0,0,0,0,0,2|2,0,0]=4 2622 B12R1.51 CCCC(=O)NCc1ncc[nH]1 527a_100000754540_100000211992 [0,0,0,0,0,2|2,0,0]=4 2623 B12R1.51 CCCC(=O)NCc1ncco1 11a_100016994969_100000211992 [0,0,0,0,0,2|1,0,0]=3 2624 B12R1.51 CCCC(=O)NCc1ncco1 1626a_100016994969_100000211992 [0,0,0,0,0,2|1,0,0]=3 2625 B12R1.51 CCCC(=O)NCc1ncco1 240690a_100016994969_100000211992 [0,0,0,0,0,2|1,0,0]=3 2626 B12R1.51 CCCC(=O)NCc1ncco1 527a_100016994969_100000211992 [0,0,0,0,0,2|1,0,0]=3 2627 B12R1.51 CCCC(=O)NCc1nccs1 11a_100000740555_100000211992 [0,0,0,0,0,2|1,1,0]=4 2628 B12R1.51 CCCC(=O)NCc1nccs1 1626a_100000740555_100000211992 [0,0,0,0,0,2|1,1,0]=4 2629 B12R1.51 CCCC(=O)NCc1nccs1 240690a_100000740555_100000211992 [0,0,0,0,0,2|1,1,0]=4 2630 B12R1.51 CCCC(=O)NCc1nccs1 527a_100000740555_100000211992 [0,0,0,0,0,2|1,1,0]=4 2631 B12R1.51 CCCC(=O)NN=C1C=CCC1 4a_100000189770_100000239507 [0,0,0,0,0,2|1,0,1]=4 2632 B12R1.51 CCCC(=O)NN=C1CC=CC1 4a_100000189770_100000766571 [0,0,0,0,0,2|1,0,1]=4 2633 B12R1.51 CCCC(=O)NNc1nccs1 22a_100011198208_100000211992 [0,0,0,0,0,2|1,1,0]=4 2634 B12R1.51 CCCC(C)CSc1ccco1 62a_100009814098_100011216630 [0,0,0,0,0,2|1,0,1]=4 2635 B12R1.51 CCCC(C)CSc1ccco1 62a_100011216630_100009814098 [0,0,0,0,0,2|1,0,1]=4 2636 B12R1.51 CCCC(C)NCc1ccco1 207a_100000741246_100000186105 [0,0,0,0,0,2|1,0,1]=4 2637 B12R1.51 CCCC(C)NCc1ccco1 2230a_100000185738_100000766640 [0,0,0,0,0,2|1,0,1]=4 2638 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000185738_100000211909 [0,0,0,0,0,2|1,0,1]=4 2639 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000741246_100000186105 [0,0,0,0,0,2|1,0,1]=4 2640 B12R1.51 CCCC(C)NCc1ccco1 34a_100000185738_100000766640 [0,0,0,0,0,2|1,0,1]=4 2641 B12R1.51 CCCC(C)OCc1ccco1 34a_100000210059_100000766640 [0,0,0,0,0,2|1,0,1]=4 2642 B12R1.51 CCNC(=O)C=Cc1cccs1 11a_100015525214_100000182767 [0,0,0,0,0,2|1,1,0]=4 2643 B12R1.51 CCNC(=O)C=Cc1cccs1 240690a_100015525214_100000182767 [0,0,0,0,0,2|1,1,0]=4 2644 B12R1.51 CCNC(=O)CCc1ccc[nH]1 11a_100015525214_200011998680 [0,0,0,0,0,2|2,0,0]=4 2645 B12R1.51 CCNC(=O)CCc1ccc[nH]1 240690a_100015525214_200011998680 [0,0,0,0,0,2|2,0,0]=4 2646 B12R1.51 CCNC(=O)CCc1ccc[nH]1 527a_100015525214_200011998680 [0,0,0,0,0,2|2,0,0]=4 2647 B12R1.51 CCNC(=O)CCc1ccco1 11a_100015525214_100000185103 [0,0,0,0,0,2|1,0,0]=3 2648 B12R1.51 CCNC(=O)CCc1ccco1 527a_100015525214_100000185103 [0,0,0,0,0,2|1,0,0]=3 2649 B12R1.51 CCNC(=O)CCc1cccs1 11a_100015525214_100000185280 [0,0,0,0,0,2|1,1,0]=4 2650 B12R1.51 CCNC(=O)CCc1cccs1 240690a_100015525214_100000185280 [0,0,0,0,0,2|1,1,0]=4 2651 B12R1.51 CCNC(=O)CCc1cccs1 527a_100015525214_100000185280 [0,0,0,0,0,2|1,1,0]=4 2652 B12R1.51 CCNC(=O)CSc1ccco1 62a_100000183381_100009814098 [0,0,0,0,0,2|1,0,0]=3 2653 B12R1.51 CCNC(=O)CSc1ccco1 62a_100009814098_100000183381 [0,0,0,0,0,2|1,0,0]=3 2654 B12R1.51 CCNC(=O)CSc1cccs1 62a_100000183381_100011215356 [0,0,0,0,0,2|1,1,0]=4 2655 B12R1.51 CCNC(=O)CSc1cccs1 62a_100011215356_100000183381 [0,0,0,0,0,2|1,1,0]=4 2656 B12R1.51 CCNC(=O)CSc1cnco1 62a_100000183381_100020591547 [0,0,0,0,0,2|2,0,0]=4 2657 B12R1.51 CCNC(=O)CSc1cnco1 62a_100020591547_100000183381 [0,0,0,0,0,2|2,0,0]=4 2658 B12R1.51 CCNC(=O)CSc1ncco1 62a_100000183381_100011787736 [0,0,0,0,0,2|2,0,0]=4 2659 B12R1.51 CCNC(=O)CSc1ncco1 62a_100011787736_100000183381 [0,0,0,0,0,2|2,0,0]=4 2660 B12R1.51 CCNC(=O)NCc1ccc[nH]1 273464a_100000764082_100015525214 [0,0,0,0,0,2|2,0,0]=4 2661 B12R1.51 CCNC(=O)NCc1ccc[nH]1 273464a_100015525214_100000764082 [0,0,0,0,0,2|2,0,0]=4 2662 B12R1.51 CCNC(=O)NCc1ccc[nH]1 512a_100015525214_100000764082 [0,0,0,0,0,2|2,0,0]=4 2663 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100000185738_100015525214 [0,0,0,0,0,2|1,0,0]=3 2664 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100015525214_100000185738 [0,0,0,0,0,2|1,0,0]=3 2665 B12R1.51 CCNC(=O)NCc1ccco1 273464a_100000185738_100015525214 [0,0,0,0,0,2|1,0,0]=3 2666 B12R1.51 CCNC(=O)NCc1ccco1 512a_100000185738_100015525214 [0,0,0,0,0,2|1,0,0]=3 2667 B12R1.51 CCNC(=O)NCc1ccco1 512a_100015525214_100000185738 [0,0,0,0,0,2|1,0,0]=3 2668 B12R1.51 CCNC(=O)NCc1cccs1 2708a_100000211653_100015525214 [0,0,0,0,0,2|1,1,0]=4 2669 B12R1.51 CCNC(=O)NCc1cccs1 2708a_100015525214_100000211653 [0,0,0,0,0,2|1,1,0]=4 2670 B12R1.51 CCNC(=O)NCc1cccs1 273464a_100000211653_100015525214 [0,0,0,0,0,2|1,1,0]=4 2671 B12R1.51 CCNC(=O)NCc1cccs1 273464a_100015525214_100000211653 [0,0,0,0,0,2|1,1,0]=4 2672 B12R1.51 CCNC(=O)NCc1cccs1 512a_100000211653_100015525214 [0,0,0,0,0,2|1,1,0]=4 2673 B12R1.51 CCNC(=O)NCc1cccs1 512a_100015525214_100000211653 [0,0,0,0,0,2|1,1,0]=4 2674 B12R1.51 CCNC(=O)NCc1cnco1 2708a_100015525214_100020634212 [0,0,0,0,0,2|2,0,0]=4 2675 B12R1.51 CCNC(=O)NCc1cnco1 2708a_100020634212_100015525214 [0,0,0,0,0,2|2,0,0]=4 2676 B12R1.51 CCNC(=O)NCc1cnco1 273464a_100015525214_100020634212 [0,0,0,0,0,2|2,0,0]=4 2677 B12R1.51 CCNC(=O)NCc1cnco1 273464a_100020634212_100015525214 [0,0,0,0,0,2|2,0,0]=4 2678 B12R1.51 CCNC(=O)NCc1cnco1 512a_100015525214_100020634212 [0,0,0,0,0,2|2,0,0]=4 2679 B12R1.51 CCNC(=O)NCc1cnco1 512a_100020634212_100015525214 [0,0,0,0,0,2|2,0,0]=4 2680 B12R1.51 CCNC(=O)NCc1ncco1 2708a_100015525214_100016994969 [0,0,0,0,0,2|2,0,0]=4 2681 B12R1.51 CCNC(=O)NCc1ncco1 2708a_100016994969_100015525214 [0,0,0,0,0,2|2,0,0]=4 2682 B12R1.51 CCNC(=O)NCc1ncco1 273464a_100015525214_100016994969 [0,0,0,0,0,2|2,0,0]=4 2683 B12R1.51 CCNC(=O)NCc1ncco1 273464a_100016994969_100015525214 [0,0,0,0,0,2|2,0,0]=4 2684 B12R1.51 CCNC(=O)NCc1ncco1 512a_100015525214_100016994969 [0,0,0,0,0,2|2,0,0]=4 2685 B12R1.51 CCNC(=O)NCc1ncco1 512a_100016994969_100015525214 [0,0,0,0,0,2|2,0,0]=4 2686 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [0,0,0,0,0,2|1,0,0]=3 2687 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [0,0,0,0,0,2|1,1,0]=4 2688 B12R1.51 CCOC(=O)C=Cc1cnco1 271570a_100010199719_100020591547 [0,0,0,0,0,2|2,0,0]=4 2689 B12R1.51 CCOC(=O)C=Cc1ncco1 271570a_100010199719_100011787736 [0,0,0,0,0,2|2,0,0]=4 2690 B12R1.51 CCOC(=O)CSc1ccco1 62a_100000188475_100009814098 [0,0,0,0,0,2|1,0,0]=3 2691 B12R1.51 CCOC(=O)CSc1ccco1 62a_100009814098_100000188475 [0,0,0,0,0,2|1,0,0]=3 2692 B12R1.51 CCOC(=O)CSc1cccs1 62a_100000188475_100011215356 [0,0,0,0,0,2|1,1,0]=4 2693 B12R1.51 CCOC(=O)CSc1cccs1 62a_100011215356_100000188475 [0,0,0,0,0,2|1,1,0]=4 2694 B12R1.51 CCOC(=O)CSc1cnco1 62a_100000188475_100020591547 [0,0,0,0,0,2|2,0,0]=4 2695 B12R1.51 CCOC(=O)CSc1cnco1 62a_100020591547_100000188475 [0,0,0,0,0,2|2,0,0]=4 2696 B12R1.51 CCOC(=O)CSc1ncco1 62a_100000188475_100011787736 [0,0,0,0,0,2|2,0,0]=4 2697 B12R1.51 CCOC(=O)CSc1ncco1 62a_100011787736_100000188475 [0,0,0,0,0,2|2,0,0]=4 2698 B12R1.51 CNCC(=O)NCc1ccco1 2230a_100000741066_200000210301 [0,0,0,0,0,2|1,0,0]=3 2699 B12R1.51 CNCC(=O)NCc1ccco1 2230a_106832991635_100000183421 [0,0,0,0,0,2|1,0,0]=3 2700 B12R1.51 CNCC(=O)NCc1ccco1 34a_100102657272_100000183421 [0,0,0,0,0,2|1,0,0]=3 2701 B12R1.51 CNCC(=O)NCc1ccco1 7a_106832991635_100000183421 [0,0,0,0,0,2|1,0,0]=3 2702 B12R1.51 CNCC(=O)NCc1cccs1 2230a_106832991635_100000182718 [0,0,0,0,0,2|1,1,0]=4 2703 B12R1.51 CNCC(=O)NCc1cccs1 34a_100102657272_100000182718 [0,0,0,0,0,2|1,1,0]=4 2704 B12R1.51 CNCC(=O)NCc1cccs1 7a_106832991635_100000182718 [0,0,0,0,0,2|1,1,0]=4 2705 B12R1.51 CNNC(=O)C=Cc1ccco1 22a_100016993582_100000720202 [0,0,0,0,0,2|2,0,0]=4 2706 B12R1.51 CNNC(=O)CCc1ccco1 22a_100016993582_100000185103 [0,0,0,0,0,2|2,0,0]=4 2707 B12R1.51 CNNC(=O)NCc1ccco1 273464a_100000185738_100016993582 [0,0,0,0,0,2|2,0,0]=4 2708 B12R1.51 CNNC(=O)NCc1ccco1 512a_100000185738_100016993582 [0,0,0,0,0,2|2,0,0]=4 2709 B12R1.51 CNNC(=O)NCc1ccco1 512a_100016993582_100000185738 [0,0,0,0,0,2|2,0,0]=4 2710 B12R1.51 COCC(=O)CCc1cccs1 1458a_100000210968_100000748579 [0,0,0,0,0,2|1,1,0]=4 2711 B12R1.51 COCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210968 [0,0,0,0,0,2|2,0,0]=4 2712 B12R1.51 COCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210968 [0,0,0,0,0,2|2,0,0]=4 2713 B12R1.51 COCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210968 [0,0,0,0,0,2|2,0,0]=4 2714 B12R1.51 COCC(=O)NCc1ccco1 11a_100000185738_100000210968 [0,0,0,0,0,2|1,0,0]=3 2715 B12R1.51 COCC(=O)NCc1ccco1 1626a_100000185738_100000210968 [0,0,0,0,0,2|1,0,0]=3 2716 B12R1.51 COCC(=O)NCc1ccco1 240690a_100000185738_100000210968 [0,0,0,0,0,2|1,0,0]=3 2717 B12R1.51 COCC(=O)NCc1ccco1 34a_100138415774_100000183421 [0,0,0,0,0,2|1,0,0]=3 2718 B12R1.51 COCC(=O)NCc1ccco1 527a_100000185738_100000210968 [0,0,0,0,0,2|1,0,0]=3 2719 B12R1.51 COCC(=O)NCc1cccs1 11a_100000211653_100000210968 [0,0,0,0,0,2|1,1,0]=4 2720 B12R1.51 COCC(=O)NCc1cccs1 1626a_100000211653_100000210968 [0,0,0,0,0,2|1,1,0]=4 2721 B12R1.51 COCC(=O)NCc1cccs1 240690a_100000211653_100000210968 [0,0,0,0,0,2|1,1,0]=4 2722 B12R1.51 COCC(=O)NCc1cccs1 34a_100138415774_100000182718 [0,0,0,0,0,2|1,1,0]=4 2723 B12R1.51 COCC(=O)NCc1cccs1 527a_100000211653_100000210968 [0,0,0,0,0,2|1,1,0]=4 2724 B12R1.51 COCC(=O)NCc1cnco1 11a_100020634212_100000210968 [0,0,0,0,0,2|2,0,0]=4 2725 B12R1.51 COCC(=O)NCc1cnco1 240690a_100020634212_100000210968 [0,0,0,0,0,2|2,0,0]=4 2726 B12R1.51 COCC(=O)NCc1cnco1 527a_100020634212_100000210968 [0,0,0,0,0,2|2,0,0]=4 2727 B12R1.51 COCC(=O)NCc1ncco1 11a_100016994969_100000210968 [0,0,0,0,0,2|2,0,0]=4 2728 B12R1.51 COCC(=O)NCc1ncco1 1626a_100016994969_100000210968 [0,0,0,0,0,2|2,0,0]=4 2729 B12R1.51 COCC(=O)NCc1ncco1 240690a_100016994969_100000210968 [0,0,0,0,0,2|2,0,0]=4 2730 B12R1.51 COCC(=O)NCc1ncco1 527a_100016994969_100000210968 [0,0,0,0,0,2|2,0,0]=4 2731 B12R1.51 CSCC(=O)CCc1cccs1 1458a_100000184570_100000748579 [0,0,0,0,0,2|1,1,0]=4 2732 B12R1.51 CSCC(=O)NCc1ccc[nH]1 11a_100000764082_100000184570 [0,0,0,0,0,2|2,0,0]=4 2733 B12R1.51 CSCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000184570 [0,0,0,0,0,2|2,0,0]=4 2734 B12R1.51 CSCC(=O)NCc1ccc[nH]1 527a_100000764082_100000184570 [0,0,0,0,0,2|2,0,0]=4 2735 B12R1.51 CSCC(=O)NCc1ccco1 11a_100000185738_100000184570 [0,0,0,0,0,2|1,0,0]=3 2736 B12R1.51 CSCC(=O)NCc1ccco1 1626a_100000185738_100000184570 [0,0,0,0,0,2|1,0,0]=3 2737 B12R1.51 CSCC(=O)NCc1ccco1 240690a_100000185738_100000184570 [0,0,0,0,0,2|1,0,0]=3 2738 B12R1.51 CSCC(=O)NCc1ccco1 527a_100000185738_100000184570 [0,0,0,0,0,2|1,0,0]=3 2739 B12R1.51 CSCC(=O)NCc1ccco1 62a_100000183421_200000210301 [0,0,0,0,0,2|1,0,0]=3 2740 B12R1.51 CSCC(=O)NCc1ccco1 62a_200000210301_100000183421 [0,0,0,0,0,2|1,0,0]=3 2741 B12R1.51 CSCC(=O)NCc1cccs1 11a_100000211653_100000184570 [0,0,0,0,0,2|1,1,0]=4 2742 B12R1.51 CSCC(=O)NCc1cccs1 1626a_100000211653_100000184570 [0,0,0,0,0,2|1,1,0]=4 2743 B12R1.51 CSCC(=O)NCc1cccs1 240690a_100000211653_100000184570 [0,0,0,0,0,2|1,1,0]=4 2744 B12R1.51 CSCC(=O)NCc1cccs1 527a_100000211653_100000184570 [0,0,0,0,0,2|1,1,0]=4 2745 B12R1.51 CSCC(=O)NCc1cccs1 62a_100000182718_200000210301 [0,0,0,0,0,2|1,1,0]=4 2746 B12R1.51 CSCC(=O)NCc1cccs1 62a_200000210301_100000182718 [0,0,0,0,0,2|1,1,0]=4 2747 B12R1.51 CSCC(=O)NCc1cnco1 11a_100020634212_100000184570 [0,0,0,0,0,2|2,0,0]=4 2748 B12R1.51 CSCC(=O)NCc1cnco1 240690a_100020634212_100000184570 [0,0,0,0,0,2|2,0,0]=4 2749 B12R1.51 CSCC(=O)NCc1cnco1 527a_100020634212_100000184570 [0,0,0,0,0,2|2,0,0]=4 2750 B12R1.51 CSCC(=O)NCc1ncco1 11a_100016994969_100000184570 [0,0,0,0,0,2|2,0,0]=4 2751 B12R1.51 CSCC(=O)NCc1ncco1 1626a_100016994969_100000184570 [0,0,0,0,0,2|2,0,0]=4 2752 B12R1.51 CSCC(=O)NCc1ncco1 240690a_100016994969_100000184570 [0,0,0,0,0,2|2,0,0]=4 2753 B12R1.51 CSCC(=O)NCc1ncco1 527a_100016994969_100000184570 [0,0,0,0,0,2|2,0,0]=4 2754 B12R1.51 N#CCC(=O)CCc1ccco1 1458a_100000185103_100011214920 [0,0,0,0,0,2|1,0,1]=4 2755 B12R1.51 N#CCC(=O)NCc1ccco1 1626a_100000185738_100051588842 [0,0,0,0,0,2|1,0,1]=4 2756 B12R1.51 N#CCC(=O)NCc1ccco1 240690a_100000185738_100051588842 [0,0,0,0,0,2|1,0,1]=4 2757 B12R1.51 O=C(C=Cc1cccs1)CCF 1458a_100000182767_100011217306 [0,0,0,0,0,2|1,1,0]=4 2758 B12R1.51 O=C(C=Cc1cccs1)CCO 1458a_100000182767_100000211926 [0,0,0,0,0,2|1,1,0]=4 2759 B12R1.51 O=C(CCF)CCc1ccc[nH]1 1458a_200011998680_100011217306 [0,0,0,0,0,2|2,0,0]=4 2760 B12R1.51 O=C(CCF)CCc1ccco1 1458a_100000185103_100011217306 [0,0,0,0,0,2|1,0,0]=3 2761 B12R1.51 O=C(CCF)CCc1cccs1 1458a_100000185280_100011217306 [0,0,0,0,0,2|1,1,0]=4 2762 B12R1.51 O=C(CCO)CCc1ccc[nH]1 1458a_200011998680_100000211926 [0,0,0,0,0,2|2,0,0]=4 2763 B12R1.51 O=C(CCO)CCc1ccco1 1458a_100000185103_100000211926 [0,0,0,0,0,2|1,0,0]=3 2764 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100000185280_100000211926 [0,0,0,0,0,2|1,1,0]=4 2765 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100011216618_100000748579 [0,0,0,0,0,2|1,1,0]=4 2766 B12R1.51 O=C(CCO)NCc1ccc[nH]1 240690a_100000764082_100011216618 [0,0,0,0,0,2|2,0,0]=4 2767 B12R1.51 O=C(CCO)NCc1ccco1 240690a_100000185738_100011216618 [0,0,0,0,0,2|1,0,0]=3 2768 B12R1.51 O=C(CCO)NCc1cccs1 240690a_100000211653_100011216618 [0,0,0,0,0,2|1,1,0]=4 2769 B12R1.51 O=C(CCO)NCc1cnco1 240690a_100020634212_100011216618 [0,0,0,0,0,2|2,0,0]=4 2770 B12R1.51 O=C(CCO)NCc1ncco1 240690a_100016994969_100011216618 [0,0,0,0,0,2|2,0,0]=4 2771 B12R1.51 O=C(CSc1ccco1)NCO 62a_100000185155_100009814098 [0,0,0,0,0,2|2,0,0]=4 2772 B12R1.51 O=C(CSc1ccco1)NCO 62a_100009814098_100000185155 [0,0,0,0,0,2|2,0,0]=4 2773 B12R1.51 [13CH3]NCC(=O)NCc1ccco1 2230a_100000741066_200025704644 [0,0,0,0,0,2|1,0,0]=3 2774 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_100000183421_200025704644 [0,0,0,0,0,2|1,0,0]=3 2775 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_200025704644_100000183421 [0,0,0,0,0,2|1,0,0]=3 2776 B12R1.51 [13CH3]SCC(=O)NCc1cccs1 62a_100000182718_200025704644 [0,0,0,0,0,2|1,1,0]=4 2777 B12R1.51 [13CH3]SCC(=O)NCc1cccs1 62a_200025704644_100000182718 [0,0,0,0,0,2|1,1,0]=4