0 B11R1.29 CC=NNC(=O)c1ccc[nH]1 4a_100000018271_200000210099 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.29 CC=NNC(=O)c1ccco1 4a_100000185077_200000210099 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.29 CC=NNC(=O)c1cccs1 4a_100000184746_200000210099 [0,0,0,0,0,0|2,1,1]=4 3 B11R1.29 CC=NNC(=O)c1cnco1 4a_100000081316_200000210099 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.29 CCCCC(=O)C1=CCOC1 1458a_100000139269_100000210211 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.29 CCCCC(=O)C1=COCC1 1458a_100000750620_100000210211 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.29 CCCCC(=O)C1CC=CC1 1458a_100000759439_100000210211 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.29 CCCCC(=O)N1CC=CC1 1626a_100015195280_100000210183 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.29 CCCCC(=O)N1CC=CC1 240690a_100015195280_100000210183 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [0,0,0,0,0,0|0,0,4]=4 11 B11R1.29 CCCNC(=O)C1=CCCC1 11a_100020643023_100000038896 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.29 CCCNC(=O)C1=CCCC1 1626a_100020643023_100000038896 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.29 CCCNC(=O)C1=CCCC1 240690a_100020643023_100000038896 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.29 CCCNC(=O)C1=CCOC1 11a_100020643023_100000139269 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.29 CCCNC(=O)C1=CCOC1 1626a_100020643023_100000139269 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.29 CCCNC(=O)C1=CCOC1 240690a_100020643023_100000139269 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.29 CCCNC(=O)C1=COCC1 1626a_100020643023_100000750620 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.29 CCCNC(=O)C1=COCC1 240690a_100020643023_100000750620 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.29 CCCNC(=O)C1CC=CC1 11a_100020643023_100000759439 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.29 CCCNC(=O)C1CC=CC1 1626a_100020643023_100000759439 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.29 CCCNC(=O)C1CC=CC1 240690a_100020643023_100000759439 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.29 CCCNC(=O)C1CC=CC1 527a_100020643023_100000759439 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.29 CCCNC(=O)N1CC=CC1 2708a_100020643023_100015195280 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.29 CCCNC(=O)N1CC=CC1 273464a_100020643023_100015195280 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [0,0,0,0,0,0|2,1,1]=4 27 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [0,0,0,0,0,0|2,1,1]=4 28 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,0,0,0,0,0|2,1,1]=4 32 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,0,0,0,0,0|1,1,0]=2 33 B11R1.29 CCNCC(=O)c1ccsc1 2230a_100015525214_100011219462 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.29 CCNCC(=O)n1cccn1 2230a_100015525214_100000077511 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.29 CCNCC(O)c1ccco1 2230a_100000738650_100000210202 [0,0,0,0,0,0|1,0,2]=3 36 B11R1.29 CCNN=C(C)c1ccc[nH]1 4a_100000756455_100000183661 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.29 CCNN=C(C)c1ccco1 4a_100000756455_100000210965 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.29 CCNN=C(C)c1cccs1 4a_100000756455_100000185736 [0,0,0,0,0,0|3,1,0]=4 39 B11R1.29 CCNN=C(C)c1ccno1 4a_100000756455_100009863766 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.29 CCOCC(=O)N1CC=CC1 1626a_100015195280_100000211967 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.29 CCOCC(=O)N1CC=CC1 240690a_100015195280_100000211967 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.29 CCOCC(=O)c1ccsc1 34a_100121572206_100011219462 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.29 CCOCC(N)c1cccs1 34a_100102422791_100000210202 [0,0,0,0,0,0|2,1,1]=4 44 B11R1.29 CCSCC(=O)N1CC=CC1 1626a_100015195280_100000230394 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.29 CCSCC(=O)N1CC=CC1 240690a_100015195280_100000230394 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,0,0,0,0,0|2,0,0]=2 47 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,0,0,0,0,0|1,0,0]=1 49 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,0,0,0,0,0|1,0,0]=1 50 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,0,0,0,0,0|1,1,0]=2 51 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,0,0,0,0,0|1,1,0]=2 52 B11R1.29 CCSCC(=O)c1ccsc1 62a_100000210202_100011219462 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.29 CCSCC(=O)c1ccsc1 62a_100011219462_100000210202 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.29 CCSCC(=O)c1nccs1 62a_100000210202_100000718653 [0,0,0,0,0,0|2,1,0]=3 55 B11R1.29 CCSCC(=O)c1nccs1 62a_100000718653_100000210202 [0,0,0,0,0,0|2,1,0]=3 56 B11R1.29 CCSCC(=O)n1cccn1 62a_100000077511_100000210202 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.29 CCSCC(=O)n1cccn1 62a_100000210202_100000077511 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,0,0,0,0,0|1,1,0]=2 59 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,0,0,0,0,0|1,1,0]=2 60 B11R1.29 COCCC(=O)C1=CCCC1 1458a_100000038896_100000233755 [0,0,0,0,0,0|2,0,2]=4 61 B11R1.29 COCCC(=O)C1=CCOC1 1458a_100000139269_100000233755 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.29 COCCC(=O)C1=COCC1 1458a_100000750620_100000233755 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.29 COCCC(=O)C1CC=CC1 1458a_100000759439_100000233755 [0,0,0,0,0,0|2,0,2]=4 64 B11R1.29 COCCC(=O)N1CC=CC1 1626a_100015195280_100000749529 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.29 COCCC(=O)N1CC=CC1 240690a_100015195280_100000749529 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.29 CSCCC(=O)C1=CCCC1 1458a_100000038896_100000751147 [0,0,0,0,0,0|2,0,2]=4 68 B11R1.29 CSCCC(=O)C1=CCOC1 1458a_100000139269_100000751147 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.29 CSCCC(=O)C1=COCC1 1458a_100000750620_100000751147 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.29 CSCCC(=O)C1CC=CC1 1458a_100000759439_100000751147 [0,0,0,0,0,0|2,0,2]=4 71 B11R1.29 CSCCC(=O)N1CC=CC1 1626a_100015195280_100000174002 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.29 CSCCC(=O)N1CC=CC1 240690a_100015195280_100000174002 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [0,0,0,0,0,0|1,1,0]=2 74 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [0,0,0,0,0,0|1,1,0]=2 75 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.29 C[C@@H](NCCF)c1ccco1 2230a_100160469435_100011217306 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.29 C[C@@H](NCCO)c1ccco1 2230a_100160469435_100000211926 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.29 C[C@H](OCCF)c1ccco1 34a_100000755270_100011217306 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.29 C[C@H](OCCF)c1ccco1 7a_100000755270_100011217306 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.29 C[C@H](OCCO)c1ccco1 34a_100000755270_100000211926 [0,0,0,0,0,0|3,0,1]=4 82 B11R1.29 C[C@H](OCCO)c1ccco1 7a_100000755270_100000211926 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.29 O=C(CCCF)C1=CCCC1 1458a_100000038896_100011934791 [0,0,0,0,0,0|2,0,2]=4 84 B11R1.29 O=C(CCCF)C1=CCOC1 1458a_100000139269_100011934791 [0,0,0,0,0,0|3,0,1]=4 85 B11R1.29 O=C(CCCF)C1=COCC1 1458a_100000750620_100011934791 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.29 O=C(CCCF)C1CC=CC1 1458a_100000759439_100011934791 [0,0,0,0,0,0|2,0,2]=4 87 B11R1.29 O=C(CCCO)C1=CCCC1 1458a_100000038896_100011215043 [0,0,0,0,0,0|2,0,2]=4 88 B11R1.29 O=C(CCCO)C1=CCOC1 1458a_100000139269_100011215043 [0,0,0,0,0,0|3,0,1]=4 89 B11R1.29 O=C(CCCO)C1=COCC1 1458a_100000750620_100011215043 [0,0,0,0,0,0|3,0,1]=4 90 B11R1.29 O=C(CCCO)C1CC=CC1 1458a_100000759439_100011215043 [0,0,0,0,0,0|2,0,2]=4 91 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_100015361967_200011262396 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_200011262396_100015361967 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [0,0,0,0,0,0|2,0,0]=2 94 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.29 O=C(CSCF)c1cccs1 62a_100000211436_100015361967 [0,0,0,0,0,0|2,1,0]=3 96 B11R1.29 O=C(CSCF)c1cccs1 62a_100015361967_100000211436 [0,0,0,0,0,0|2,1,0]=3 97 B11R1.29 O=C(CSCF)c1ccsc1 62a_100011219462_100015361967 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.29 O=C(CSCF)c1ccsc1 62a_100015361967_100011219462 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.29 O=C(CSCF)c1nccs1 62a_100000718653_100015361967 [0,0,0,0,0,0|3,1,0]=4 100 B11R1.29 O=C(CSCF)c1nccs1 62a_100015361967_100000718653 [0,0,0,0,0,0|3,1,0]=4 101 B11R1.29 O=C(CSCF)n1cccn1 62a_100000077511_100015361967 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.29 O=C(CSCF)n1cccn1 62a_100015361967_100000077511 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [0,0,0,0,0,0|1,1,0]=2 104 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [0,0,0,0,0,0|1,1,0]=2 105 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [1,0,0,0,0,0|1,0,2]=4 106 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [1,0,0,0,0,0|1,0,2]=4 109 B10R1.11 CCCC(=O)N1CC=CC1 1626a_100015195280_100000211992 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.11 CCCC(=O)N1CC=CC1 240690a_100015195280_100000211992 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [1,0,0,0,0,0|1,1,0]=3 117 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [1,0,0,0,0,0|1,1,0]=3 118 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [1,0,0,0,0,0|2,1,0]=4 122 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,0,0,0,0,0|1,0,2]=4 125 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [1,0,0,0,0,0|1,0,0]=2 129 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [1,0,0,0,0,0|1,0,0]=2 130 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [1,0,0,0,0,0|1,1,0]=3 131 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [1,0,0,0,0,0|1,1,0]=3 132 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [1,0,0,0,0,0|2,1,0]=4 135 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [1,0,0,0,0,0|2,1,0]=4 136 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,0,0,0,0,0|1,0,2]=4 139 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [1,0,0,0,0,0|1,0,0]=2 142 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [1,0,0,0,0,0|1,0,0]=2 143 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [1,0,0,0,0,0|1,1,0]=3 144 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [1,0,0,0,0,0|1,1,0]=3 145 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [1,0,0,0,0,0|2,1,0]=4 148 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [1,0,0,0,0,0|2,1,0]=4 149 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.21 C#CCCSc1ccco1 62a_100000688953_100009814098 [1,0,0,0,0,0|1,0,2]=4 152 B10R1.21 C#CCCSc1ccco1 62a_100009814098_100000688953 [1,0,0,0,0,0|1,0,2]=4 153 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [1,0,0,0,0,0|1,0,2]=4 154 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [1,0,0,0,0,0|1,0,2]=4 155 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [1,0,0,0,0,0|1,0,2]=4 156 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [1,0,0,0,0,0|1,0,2]=4 157 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [1,0,0,0,0,0|1,0,2]=4 158 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [1,0,0,0,0,0|1,0,2]=4 159 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [1,0,0,0,0,0|1,0,2]=4 160 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [1,0,0,0,0,0|1,0,2]=4 161 B10R1.21 CCCC=Cc1c[nH]cn1 271570a_100016258520_100000756875 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.21 CCCC=Cc1cc[nH]n1 271570a_100016258520_100000062575 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,0,0,0,0,0|0,0,1]=2 164 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [1,0,0,0,0,0|0,1,1]=3 165 B10R1.21 CCCC=Cc1ccoc1 271570a_100016258520_100011215275 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.21 CCCC=Cc1ccsc1 271570a_100016258520_100000738268 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.21 CCCC=Cc1ccsn1 271570a_100016258520_100009818082 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [1,0,0,0,0,0|1,0,1]=3 169 B10R1.21 CCCC=Cc1cncs1 271570a_100016258520_100011934649 [1,0,0,0,0,0|1,1,1]=4 170 B10R1.21 CCCC=Cc1cscn1 271570a_100016258520_100000751502 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.21 CCCC=Cc1ncc[nH]1 271570a_100016258520_100025796157 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [1,0,0,0,0,0|1,0,1]=3 173 B10R1.21 CCCC=Cc1nccs1 271570a_100016258520_100000211983 [1,0,0,0,0,0|1,1,1]=4 174 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.21 CCCCSc1c[nH]cn1 62a_100000210211_100000756875 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.21 CCCCSc1c[nH]cn1 62a_100000756875_100000210210 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.21 CCCCSc1cc[nH]n1 62a_100000062575_100000210210 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.21 CCCCSc1cc[nH]n1 62a_100000210211_100000062575 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,0,0,0,0,0|1,0,0]=2 181 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,0,0,0,0,0|1,0,0]=2 182 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [1,0,0,0,0,0|1,1,0]=3 183 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [1,0,0,0,0,0|1,1,0]=3 184 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.21 CCCCSc1ccsn1 62a_100000210211_100009818082 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.21 CCCCSc1ccsn1 62a_100009818082_100000210210 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.21 CCCCSc1cncs1 62a_100000210211_100011934649 [1,0,0,0,0,0|2,1,0]=4 195 B10R1.21 CCCCSc1cncs1 62a_100011934649_100000210210 [1,0,0,0,0,0|2,1,0]=4 196 B10R1.21 CCCCSc1cscn1 62a_100000210211_100000751502 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.21 CCCCSc1cscn1 62a_100000751502_100000210210 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.21 CCCCSc1ncc[nH]1 62a_100000210211_100025796157 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.21 CCCCSc1ncc[nH]1 62a_100025796157_100000210210 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [1,0,0,0,0,0|2,0,0]=3 202 B10R1.21 CCCCSc1nccs1 62a_100000210211_100000211983 [1,0,0,0,0,0|2,1,0]=4 203 B10R1.21 CCCCSc1nccs1 62a_100000211983_100000210210 [1,0,0,0,0,0|2,1,0]=4 204 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,0,0,0,0,0|1,0,1]=3 205 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,0,0,0,0,0|1,0,1]=3 206 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,0,0,0,0,0|1,0,1]=3 207 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,0,0,0,0,0|1,0,1]=3 208 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [1,0,0,0,0,0|1,1,1]=4 209 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [1,0,0,0,0,0|1,1,1]=4 210 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [1,0,0,0,0,0|1,1,1]=4 211 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,0,0,0,0,0|1,0,1]=3 215 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,0,0,0,0,0|1,1,1]=4 216 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [1,0,0,0,0,0|2,0,1]=4 217 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [1,0,0,0,0,0|2,0,1]=4 218 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [1,0,0,0,0,0|2,0,1]=4 219 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [1,0,0,0,0,0|2,0,1]=4 220 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [1,0,0,0,0,0|2,0,1]=4 221 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,0,0,0,0,0|1,0,1]=3 222 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,0,0,0,0,0|1,0,1]=3 223 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [1,0,0,0,0,0|1,1,1]=4 224 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [1,0,0,0,0,0|1,1,1]=4 225 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [1,0,0,0,0,0|1,1,1]=4 226 B10R1.21 CCNN=Cc1ccc[nH]1 4a_100000756455_100000211237 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.21 CCNN=Cc1cccs1 4a_100000756455_100000209959 [1,0,0,0,0,0|2,1,0]=4 229 B10R1.21 CCNN=Cc1cnco1 4a_100000756455_100000064291 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.21 CCNN=Cc1ncco1 4a_100000756455_100000064290 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [1,0,0,0,0,0|1,0,1]=3 232 B10R1.21 CCOC=Cc1cccs1 271570a_100016256518_100011215356 [1,0,0,0,0,0|1,1,1]=4 233 B10R1.21 CCOC=Cc1cnco1 271570a_100016256518_100020591547 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.21 CCOC=Cc1ncco1 271570a_100016256518_100011787736 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,0,0,0,0,0|1,1,1]=4 236 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,0,0,0,0,0|1,1,1]=4 237 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,0,0,0,0,0|1,1,1]=4 238 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [1,0,0,0,0,0|2,0,0]=3 239 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [1,0,0,0,0,0|2,0,0]=3 240 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [1,0,0,0,0,0|2,1,0]=4 241 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [1,0,0,0,0,0|2,1,0]=4 242 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [1,0,0,0,0,0|1,1,1]=4 247 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [1,0,0,0,0,0|1,1,1]=4 248 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [1,0,0,0,0,0|1,0,1]=3 249 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [1,0,0,0,0,0|1,1,1]=4 250 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [1,0,0,0,0,0|1,1,1]=4 251 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [1,0,0,0,0,0|1,1,1]=4 252 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [1,0,0,0,0,0|1,0,1]=3 253 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [1,0,0,0,0,0|1,1,1]=4 254 B10R1.21 COCC=Cc1cnco1 271570a_100016286323_100020591547 [1,0,0,0,0,0|2,0,1]=4 255 B10R1.21 COCC=Cc1ncco1 271570a_100016286323_100011787736 [1,0,0,0,0,0|2,0,1]=4 256 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [1,0,0,0,0,0|1,1,1]=4 257 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [1,0,0,0,0,0|1,1,1]=4 258 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [1,0,0,0,0,0|1,1,1]=4 259 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [1,0,0,0,0,0|2,1,0]=4 262 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [1,0,0,0,0,0|2,1,0]=4 263 B10R1.21 COCCSc1cnco1 62a_100000233755_100020591547 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.21 COCCSc1cnco1 62a_100020591547_100000233755 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.21 COCCSc1ncco1 62a_100000233755_100011787736 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.21 COCCSc1ncco1 62a_100011787736_100000233755 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [1,0,0,0,0,0|2,0,1]=4 268 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [1,0,0,0,0,0|1,1,1]=4 269 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [1,0,0,0,0,0|1,1,1]=4 270 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [1,0,0,0,0,0|2,0,0]=3 272 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [1,0,0,0,0,0|2,1,0]=4 273 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [1,0,0,0,0,0|2,1,0]=4 274 B10R1.21 CSCCSc1cnco1 62a_100000212216_100020591547 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.21 CSCCSc1cnco1 62a_100020591547_100000751147 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.21 CSCCSc1ncco1 62a_100000212216_100011787736 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.21 CSCCSc1ncco1 62a_100011787736_100000751147 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [1,0,0,0,0,0|2,0,1]=4 279 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [1,0,0,0,0,0|2,0,1]=4 280 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [1,0,0,0,0,0|2,0,1]=4 281 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [1,0,0,0,0,0|2,1,0]=4 284 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [1,0,0,0,0,0|2,1,0]=4 285 B10R1.21 FCCCSc1cnco1 62a_100011934791_100020591547 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.21 FCCCSc1cnco1 62a_100020591547_100011934791 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.21 FCCCSc1ncco1 62a_100011787736_100011934791 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.21 FCCCSc1ncco1 62a_100011934791_100011787736 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [1,0,0,0,0,0|2,0,1]=4 290 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [1,0,0,0,0,0|2,0,1]=4 291 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.21 N#CCCSc1ccco1 62a_100009814098_100011215226 [1,0,0,0,0,0|2,0,1]=4 294 B10R1.21 N#CCCSc1ccco1 62a_100011215226_100009814098 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [1,0,0,0,0,0|2,0,0]=3 297 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [1,0,0,0,0,0|2,1,0]=4 298 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [1,0,0,0,0,0|2,1,0]=4 299 B10R1.21 OCCCSc1cnco1 62a_100011215043_100020591547 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.21 OCCCSc1cnco1 62a_100020591547_100011215043 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.21 OCCCSc1ncco1 62a_100011215043_100011787736 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.21 OCCCSc1ncco1 62a_100011787736_100011215043 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [1,0,0,0,0,0|2,0,1]=4 304 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [1,0,0,0,0,0|2,0,1]=4 305 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [1,0,0,0,0,0|2,0,1]=4 306 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [1,0,0,0,0,0|2,0,1]=4 307 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [1,0,0,0,0,0|2,0,1]=4 308 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [1,0,0,0,0,0|1,1,1]=4 309 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [1,0,0,0,0,0|1,1,1]=4 310 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [1,0,0,0,0,0|1,1,1]=4 311 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [1,0,0,0,0,0|1,1,1]=4 312 B12R1.15 C#CC(=O)CC(=O)c1ccco1 1458a_100000211873_100000211439 [0,1,0,0,0,0|0,0,3]=4 313 B12R1.15 C=CC(=O)CC(=O)c1ccco1 1458a_100000185746_100000211439 [0,1,0,0,0,0|0,0,3]=4 314 B12R1.15 CCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210414_200011262396 [0,1,0,0,0,0|1,0,1]=3 315 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [0,1,0,0,0,0|0,0,1]=2 316 B12R1.15 CCC(=O)CC(=O)c1cccs1 1458a_100000210414_100000211436 [0,1,0,0,0,0|0,1,1]=3 317 B12R1.15 CCC(=O)CC(=O)c1ccsc1 1458a_100000210414_100011219462 [0,1,0,0,0,0|2,0,1]=4 318 B12R1.15 CCC(=O)CC(=O)c1nccs1 1458a_100000210414_100000718653 [0,1,0,0,0,0|1,1,1]=4 319 B12R1.15 CCC(=O)CC(=O)n1cccn1 1458a_100000210414_100000077511 [0,1,0,0,0,0|2,0,1]=4 320 B12R1.15 CCC(C)CC(=O)C1=CCCC1 1458a_100000038896_100000748023 [0,1,0,0,0,0|1,0,2]=4 321 B12R1.15 CCC(C)CC(=O)C1=CCOC1 1458a_100000139269_100000748023 [0,1,0,0,0,0|2,0,1]=4 322 B12R1.15 CCC(C)CC(=O)C1=COCC1 1458a_100000750620_100000748023 [0,1,0,0,0,0|2,0,1]=4 323 B12R1.15 CCC(C)CC(=O)C1CC=CC1 1458a_100000759439_100000748023 [0,1,0,0,0,0|1,0,2]=4 324 B12R1.15 CCC(C)CC(=O)N1CC=CC1 1626a_100015195280_100000708755 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.15 CCC(C)CC(=O)N1CC=CC1 240690a_100015195280_100000708755 [0,1,0,0,0,0|2,0,1]=4 326 B12R1.15 CCC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000758301 [0,1,0,0,0,0|2,0,1]=4 327 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 34a_100000755270_100011215416 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000758301 [0,1,0,0,0,0|2,0,1]=4 329 B12R1.15 CCC(O)CC(=O)C1=CCCC1 1458a_100000038896_100011218378 [0,1,0,0,0,0|1,0,2]=4 330 B12R1.15 CCC(O)CC(=O)C1=CCOC1 1458a_100000139269_100011218378 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.15 CCC(O)CC(=O)C1=COCC1 1458a_100000750620_100011218378 [0,1,0,0,0,0|2,0,1]=4 332 B12R1.15 CCC(O)CC(=O)C1CC=CC1 1458a_100000759439_100011218378 [0,1,0,0,0,0|1,0,2]=4 333 B12R1.15 CCC(O)CC(=O)N1CC=CC1 1626a_100015195280_100011667805 [0,1,0,0,0,0|2,0,1]=4 334 B12R1.15 CCC(O)CC(=O)N1CC=CC1 240690a_100015195280_100011667805 [0,1,0,0,0,0|2,0,1]=4 335 B12R1.15 CCN(C)CC(=O)c1ccc[nH]1 269982a_100000225621_200011262396 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.15 CCN(C)CC(=O)c1ccco1 269982a_100000225621_100000211439 [0,1,0,0,0,0|1,0,0]=2 337 B12R1.15 CCN(C)CC(=O)c1cccs1 2230a_100000225621_100000211436 [0,1,0,0,0,0|1,1,0]=3 338 B12R1.15 CCN(C)CC(=O)c1cccs1 269982a_100000225621_100000211436 [0,1,0,0,0,0|1,1,0]=3 339 B12R1.15 CCN(C)CC(=O)c1ccsc1 2230a_100000225621_100011219462 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.15 CCN(C)CC(=O)c1ccsc1 269982a_100000225621_100011219462 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.15 CCN(C)CC(=O)c1nccs1 269982a_100000225621_100000718653 [0,1,0,0,0,0|2,1,0]=4 342 B12R1.15 CCN(C)CC(=O)n1cccn1 2230a_100000225621_100000077511 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.15 CCN(C)CC(=O)n1cccn1 269982a_100000225621_100000077511 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.15 CC[C@H](C)CC(=O)C1=CCCC1 1458a_100000038896_100009816398 [0,1,0,0,0,0|1,0,2]=4 345 B12R1.15 CC[C@H](C)CC(=O)C1=CCOC1 1458a_100000139269_100009816398 [0,1,0,0,0,0|2,0,1]=4 346 B12R1.15 CC[C@H](C)CC(=O)C1=COCC1 1458a_100000750620_100009816398 [0,1,0,0,0,0|2,0,1]=4 347 B12R1.15 CC[C@H](C)CC(=O)C1CC=CC1 1458a_100000759439_100009816398 [0,1,0,0,0,0|1,0,2]=4 348 B12R1.15 O=C(CO)CC(=O)c1ccc[nH]1 1458a_100000210174_200011262396 [0,1,0,0,0,0|2,0,1]=4 349 B12R1.15 O=C(CO)CC(=O)c1ccco1 1458a_100000210174_100000211439 [0,1,0,0,0,0|1,0,1]=3 350 B12R1.15 O=C(CO)CC(=O)c1cccs1 1458a_100000210174_100000211436 [0,1,0,0,0,0|1,1,1]=4 351 B12R1.29 CC=NNC(=O)c1ccc(o1)Br 4a_100000186364_200000210099 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.29 CC=NNC(=O)c1ccc(o1)C 4a_100000189940_200000210099 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.29 CCCCC(=O)C1CC(=NO1)C 1458a_100000763720_100000210211 [0,1,0,0,0,0|1,0,2]=4 354 B12R1.29 CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210211 [0,1,0,0,0,0|0,0,3]=4 355 B12R1.29 CCCNC(=O)c1ccc(o1)O 271570a_203496583355_200000161738 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.29 CCCNC(=O)c1ccc(s1)O 271570a_203496583355_200000152264 [0,1,0,0,0,0|1,1,0]=3 357 B12R1.29 CCCNC(C)c1ccc(o1)C 269862a_100020643023_100000204583 [0,1,0,0,0,0|2,0,1]=4 358 B12R1.29 CCNCC(=O)c1ccc(s1)Br 2230a_100015525214_100000185163 [0,1,0,0,0,0|1,1,0]=3 359 B12R1.29 CCNCC(=O)c1ccc(s1)C 2230a_100015525214_100011262362 [0,1,0,0,0,0|1,1,0]=3 360 B12R1.29 CCNCC(=O)c1ccc(s1)Cl 2230a_100015525214_100000185135 [0,1,0,0,0,0|1,1,0]=3 361 B12R1.29 CCNN=C(C)c1ccc(o1)Br 4a_100000756455_100000229899 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.29 CCNN=C(C)c1ccc(o1)C 4a_100000756455_100000204583 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.29 CCOCC(=O)c1ccc(s1)C 34a_100121572206_100011262362 [0,1,0,0,0,0|1,1,0]=3 364 B12R1.29 CCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000210202 [0,1,0,0,0,0|1,1,0]=3 365 B12R1.29 CCSCC(=O)c1ccc(s1)C 62a_100000210202_100011262362 [0,1,0,0,0,0|1,1,0]=3 366 B12R1.29 CCSCC(=O)c1ccc(s1)C 62a_100011262362_100000210202 [0,1,0,0,0,0|1,1,0]=3 367 B12R1.29 CCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000210202 [0,1,0,0,0,0|1,1,0]=3 368 B12R1.29 CCSCC(=O)c1ccc(s1)Cl 62a_100000210202_100000185135 [0,1,0,0,0,0|1,1,0]=3 369 B12R1.29 CNCCC(C)c1ccc(o1)C 270004a_106832991635_200000043041 [0,1,0,0,0,0|2,0,1]=4 370 B12R1.29 Cc1ccc(s1)C(=O)CSCF 62a_100011262362_100015361967 [0,1,0,0,0,0|2,1,0]=4 371 B12R1.29 Cc1ccc(s1)C(=O)CSCF 62a_100015361967_100011262362 [0,1,0,0,0,0|2,1,0]=4 372 B12R1.29 O=C(CSCF)c1ccc(s1)Br 62a_100000185163_100015361967 [0,1,0,0,0,0|2,1,0]=4 373 B12R1.29 O=C(CSCF)c1ccc(s1)Cl 62a_100000185135_100015361967 [0,1,0,0,0,0|2,1,0]=4 374 B12R1.29 O=C(CSCF)c1ccc(s1)Cl 62a_100015361967_100000185135 [0,1,0,0,0,0|2,1,0]=4 375 B12R1.35 C#CCSCC(=O)c1ccc[nH]1 62a_100000038162_200011262396 [0,1,0,0,0,0|1,0,2]=4 376 B12R1.35 C#CCSCC(=O)c1ccco1 62a_100000038162_100000211439 [0,1,0,0,0,0|0,0,2]=3 377 B12R1.35 C#CCSCC(=O)c1cccs1 62a_100000038162_100000211436 [0,1,0,0,0,0|0,1,2]=4 378 B12R1.35 C=CCNCC(=O)c1cccs1 2230a_100020586998_100000211436 [0,1,0,0,0,0|0,1,2]=4 379 B12R1.35 C=CCSCC(=O)c1ccc[nH]1 62a_100000210623_200011262396 [0,1,0,0,0,0|1,0,2]=4 380 B12R1.35 C=CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210623 [0,1,0,0,0,0|1,0,2]=4 381 B12R1.35 C=CCSCC(=O)c1ccco1 62a_100000210623_100000211439 [0,1,0,0,0,0|0,0,2]=3 382 B12R1.35 C=CCSCC(=O)c1ccco1 62a_100000211439_100000210623 [0,1,0,0,0,0|0,0,2]=3 383 B12R1.35 C=CCSCC(=O)c1cccs1 62a_100000210623_100000211436 [0,1,0,0,0,0|0,1,2]=4 384 B12R1.35 C=CCSCC(=O)c1cccs1 62a_100000211436_100000210623 [0,1,0,0,0,0|0,1,2]=4 385 B12R1.35 CC(=NNCCO)c1ccco1 4a_100000210001_100000210965 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.35 CCC=NNC(=O)c1ccc[nH]1 4a_100000018271_100000210100 [0,1,0,0,0,0|2,0,1]=4 387 B12R1.35 CCC=NNC(=O)c1ccco1 4a_100000185077_100000210100 [0,1,0,0,0,0|1,0,1]=3 388 B12R1.35 CCC=NNC(=O)c1cccs1 4a_100000184746_100000210100 [0,1,0,0,0,0|1,1,1]=4 389 B12R1.35 CCC=NNC(=O)c1cnco1 4a_100000081316_100000210100 [0,1,0,0,0,0|2,0,1]=4 390 B12R1.35 CCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210326 [0,1,0,0,0,0|1,0,2]=4 391 B12R1.35 CCCCCC(=O)C1=CCOC1 1458a_100000139269_100000210326 [0,1,0,0,0,0|2,0,1]=4 392 B12R1.35 CCCCCC(=O)C1=COCC1 1458a_100000750620_100000210326 [0,1,0,0,0,0|2,0,1]=4 393 B12R1.35 CCCCCC(=O)C1CC=CC1 1458a_100000759439_100000210326 [0,1,0,0,0,0|1,0,2]=4 394 B12R1.35 CCCCCC(=O)N1CC=CC1 1626a_100015195280_100000212188 [0,1,0,0,0,0|2,0,1]=4 395 B12R1.35 CCCCCC(=O)N1CC=CC1 240690a_100015195280_100000212188 [0,1,0,0,0,0|2,0,1]=4 396 B12R1.35 CCCCNC(=O)C1=CCCC1 11a_100000102301_100000038896 [0,1,0,0,0,0|1,0,2]=4 397 B12R1.35 CCCCNC(=O)C1=CCCC1 1626a_100000102301_100000038896 [0,1,0,0,0,0|1,0,2]=4 398 B12R1.35 CCCCNC(=O)C1=CCCC1 240690a_100000102301_100000038896 [0,1,0,0,0,0|1,0,2]=4 399 B12R1.35 CCCCNC(=O)C1=CCOC1 11a_100000102301_100000139269 [0,1,0,0,0,0|2,0,1]=4 400 B12R1.35 CCCCNC(=O)C1=CCOC1 1626a_100000102301_100000139269 [0,1,0,0,0,0|2,0,1]=4 401 B12R1.35 CCCCNC(=O)C1=CCOC1 240690a_100000102301_100000139269 [0,1,0,0,0,0|2,0,1]=4 402 B12R1.35 CCCCNC(=O)C1=COCC1 1626a_100000102301_100000750620 [0,1,0,0,0,0|2,0,1]=4 403 B12R1.35 CCCCNC(=O)C1=COCC1 240690a_100000102301_100000750620 [0,1,0,0,0,0|2,0,1]=4 404 B12R1.35 CCCCNC(=O)C1CC=CC1 11a_100000102301_100000759439 [0,1,0,0,0,0|1,0,2]=4 405 B12R1.35 CCCCNC(=O)C1CC=CC1 1626a_100000102301_100000759439 [0,1,0,0,0,0|1,0,2]=4 406 B12R1.35 CCCCNC(=O)C1CC=CC1 240690a_100000102301_100000759439 [0,1,0,0,0,0|1,0,2]=4 407 B12R1.35 CCCCNC(=O)C1CC=CC1 527a_100000102301_100000759439 [0,1,0,0,0,0|1,0,2]=4 408 B12R1.35 CCCCNC(=O)N1CC=CC1 2708a_100000102301_100015195280 [0,1,0,0,0,0|2,0,1]=4 409 B12R1.35 CCCCNC(=O)N1CC=CC1 273464a_100000102301_100015195280 [0,1,0,0,0,0|2,0,1]=4 410 B12R1.35 CCCCNC(C)c1ccc[nH]1 269862a_100000102301_100000183661 [0,1,0,0,0,0|2,0,1]=4 411 B12R1.35 CCCCNC(C)c1cccs1 2230a_100000703493_100000210211 [0,1,0,0,0,0|1,1,1]=4 412 B12R1.35 CCCCNC(C)c1cccs1 269862a_100000102301_100000185736 [0,1,0,0,0,0|1,1,1]=4 413 B12R1.35 CCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210211 [0,1,0,0,0,0|1,0,1]=3 414 B12R1.35 CCCCO[C@@H](C)c1ccco1 34a_100000755270_100000210210 [0,1,0,0,0,0|1,0,1]=3 415 B12R1.35 CCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210211 [0,1,0,0,0,0|1,0,1]=3 416 B12R1.35 CCCCO[C@H](C)c1cccs1 7a_100000750433_100000210211 [0,1,0,0,0,0|1,1,1]=4 417 B12R1.35 CCCNCC(O)c1ccco1 2230a_100000738650_100000210303 [0,1,0,0,0,0|0,0,2]=3 418 B12R1.35 CCCNN=C(C)c1ccc[nH]1 4a_100000740057_100000183661 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.35 CCCNN=C(C)c1ccco1 4a_100000740057_100000210965 [0,1,0,0,0,0|2,0,0]=3 420 B12R1.35 CCCNN=C(C)c1cccs1 4a_100000740057_100000185736 [0,1,0,0,0,0|2,1,0]=4 421 B12R1.35 CCCNN=C(C)c1ccno1 4a_100000740057_100009863766 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.35 CCCOCC(=O)N1CC=CC1 1626a_100015195280_100000745993 [0,1,0,0,0,0|2,0,1]=4 423 B12R1.35 CCCOCC(=O)N1CC=CC1 240690a_100015195280_100000745993 [0,1,0,0,0,0|2,0,1]=4 424 B12R1.35 CCCOCC(=O)c1ccsc1 34a_100000210258_100011219462 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.35 CCCOCC(N)c1cccs1 34a_100102422791_100000210303 [0,1,0,0,0,0|1,1,1]=4 426 B12R1.35 CCCSCC(=O)N1CC=CC1 1626a_100015195280_100000217233 [0,1,0,0,0,0|2,0,1]=4 427 B12R1.35 CCCSCC(=O)N1CC=CC1 240690a_100015195280_100000217233 [0,1,0,0,0,0|2,0,1]=4 428 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_100000210303_200011262396 [0,1,0,0,0,0|1,0,0]=2 429 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210303 [0,1,0,0,0,0|1,0,0]=2 430 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000210303_100000211439 [0,1,0,0,0,0|0,0,0]=1 431 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000211439_100000210303 [0,1,0,0,0,0|0,0,0]=1 432 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000210303_100000211436 [0,1,0,0,0,0|0,1,0]=2 433 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000211436_100000210303 [0,1,0,0,0,0|0,1,0]=2 434 B12R1.35 CCCSCC(=O)c1ccsc1 62a_100000210303_100011219462 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.35 CCCSCC(=O)c1ccsc1 62a_100011219462_100000210303 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.35 CCCSCC(=O)c1nccs1 62a_100000210303_100000718653 [0,1,0,0,0,0|1,1,0]=3 437 B12R1.35 CCCSCC(=O)c1nccs1 62a_100000718653_100000210303 [0,1,0,0,0,0|1,1,0]=3 438 B12R1.35 CCCSCC(=O)n1cccn1 62a_100000077511_100000210303 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.35 CCCSCC(=O)n1cccn1 62a_100000210303_100000077511 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.35 CCNCCC(=O)c1cccs1 2230a_100015525214_100011290775 [0,1,0,0,0,0|0,1,0]=2 441 B12R1.35 CCOCCC(=O)C1=CCCC1 1458a_100000038896_100011215890 [0,1,0,0,0,0|1,0,2]=4 442 B12R1.35 CCOCCC(=O)C1=CCOC1 1458a_100000139269_100011215890 [0,1,0,0,0,0|2,0,1]=4 443 B12R1.35 CCOCCC(=O)C1=COCC1 1458a_100000750620_100011215890 [0,1,0,0,0,0|2,0,1]=4 444 B12R1.35 CCOCCC(=O)C1CC=CC1 1458a_100000759439_100011215890 [0,1,0,0,0,0|1,0,2]=4 445 B12R1.35 CCOCCC(=O)N1CC=CC1 1626a_100015195280_100000749530 [0,1,0,0,0,0|2,0,1]=4 446 B12R1.35 CCOCCC(=O)N1CC=CC1 240690a_100015195280_100000749530 [0,1,0,0,0,0|2,0,1]=4 447 B12R1.35 CCSCCC(=O)C1=CCCC1 1458a_100000038896_100000757381 [0,1,0,0,0,0|1,0,2]=4 448 B12R1.35 CCSCCC(=O)C1=CCOC1 1458a_100000139269_100000757381 [0,1,0,0,0,0|2,0,1]=4 449 B12R1.35 CCSCCC(=O)C1=COCC1 1458a_100000750620_100000757381 [0,1,0,0,0,0|2,0,1]=4 450 B12R1.35 CCSCCC(=O)C1CC=CC1 1458a_100000759439_100000757381 [0,1,0,0,0,0|1,0,2]=4 451 B12R1.35 CCSCCC(=O)N1CC=CC1 1626a_100015195280_100000230768 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.35 CCSCCC(=O)N1CC=CC1 240690a_100015195280_100000230768 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.35 CCSCCC(=O)c1cccs1 62a_100000210202_100011290775 [0,1,0,0,0,0|0,1,0]=2 454 B12R1.35 CCSCCC(=O)c1cccs1 62a_100011290775_100000210202 [0,1,0,0,0,0|0,1,0]=2 455 B12R1.35 CNCCNC(=O)n1cccn1 2230a_106832991635_100000070358 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.35 CNCCNC(=O)n1cccn1 7a_106832991635_100000070358 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.35 COCCCC(=O)C1=CCCC1 1458a_100000038896_100000740836 [0,1,0,0,0,0|1,0,2]=4 458 B12R1.35 COCCCC(=O)C1=CCOC1 1458a_100000139269_100000740836 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.35 COCCCC(=O)C1=COCC1 1458a_100000750620_100000740836 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.35 COCCCC(=O)C1CC=CC1 1458a_100000759439_100000740836 [0,1,0,0,0,0|1,0,2]=4 461 B12R1.35 COCCCC(=O)N1CC=CC1 1626a_100015195280_100000741012 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.35 COCCCC(=O)N1CC=CC1 240690a_100015195280_100000741012 [0,1,0,0,0,0|2,0,1]=4 463 B12R1.35 COCCN[C@H](C)c1ccco1 2230a_100160469435_100011201679 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.35 COCCO[C@@H](C)c1ccco1 34a_100000755270_100011201679 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.35 COCCO[C@@H](C)c1ccco1 7a_100000755270_100000233755 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.35 COCNCC(O)c1ccco1 2230a_100000738650_100000766300 [0,1,0,0,0,0|1,0,2]=4 467 B12R1.35 COCSCC(=O)c1ccc[nH]1 62a_100000766300_200011262396 [0,1,0,0,0,0|2,0,0]=3 468 B12R1.35 COCSCC(=O)c1ccc[nH]1 62a_200011262396_100000766300 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.35 COCSCC(=O)c1ccco1 62a_100000211439_100000766300 [0,1,0,0,0,0|1,0,0]=2 470 B12R1.35 COCSCC(=O)c1ccco1 62a_100000766300_100000211439 [0,1,0,0,0,0|1,0,0]=2 471 B12R1.35 COCSCC(=O)c1cccs1 62a_100000211436_100000766300 [0,1,0,0,0,0|1,1,0]=3 472 B12R1.35 COCSCC(=O)c1cccs1 62a_100000766300_100000211436 [0,1,0,0,0,0|1,1,0]=3 473 B12R1.35 COCSCC(=O)c1ccsc1 62a_100000766300_100011219462 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.35 COCSCC(=O)c1ccsc1 62a_100011219462_100000766300 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.35 COCSCC(=O)c1nccs1 62a_100000718653_100000766300 [0,1,0,0,0,0|2,1,0]=4 476 B12R1.35 COCSCC(=O)c1nccs1 62a_100000766300_100000718653 [0,1,0,0,0,0|2,1,0]=4 477 B12R1.35 COCSCC(=O)n1cccn1 62a_100000077511_100000766300 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.35 COCSCC(=O)n1cccn1 62a_100000766300_100000077511 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.35 CSCCCC(=O)N1CC=CC1 1626a_100015195280_100000173376 [0,1,0,0,0,0|2,0,1]=4 480 B12R1.35 CSCCCC(=O)N1CC=CC1 240690a_100015195280_100000173376 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.35 CSCCNC(=O)n1cccn1 62a_100000070358_200000210301 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.35 CSCCNC(=O)n1cccn1 62a_200000210301_100000070358 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.35 CSCCN[C@H](C)c1ccco1 2230a_100160469435_100000751147 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.35 CSCCO[C@@H](C)c1ccco1 34a_100000755270_100000212216 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.35 CSCCO[C@@H](C)c1ccco1 7a_100000755270_100000212216 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.35 CSCNCC(O)c1ccco1 2230a_100000738650_100011218213 [0,1,0,0,0,0|1,0,2]=4 487 B12R1.35 CSCSCC(=O)c1ccc[nH]1 62a_100011218213_200011262396 [0,1,0,0,0,0|2,0,0]=3 488 B12R1.35 CSCSCC(=O)c1ccc[nH]1 62a_200011262396_100011218213 [0,1,0,0,0,0|2,0,0]=3 489 B12R1.35 CSCSCC(=O)c1ccco1 62a_100000211439_100011218213 [0,1,0,0,0,0|1,0,0]=2 490 B12R1.35 CSCSCC(=O)c1ccco1 62a_100011218213_100000211439 [0,1,0,0,0,0|1,0,0]=2 491 B12R1.35 CSCSCC(=O)c1cccs1 62a_100000211436_100011218213 [0,1,0,0,0,0|1,1,0]=3 492 B12R1.35 CSCSCC(=O)c1cccs1 62a_100011218213_100000211436 [0,1,0,0,0,0|1,1,0]=3 493 B12R1.35 CSCSCC(=O)c1ccsc1 62a_100011218213_100011219462 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.35 CSCSCC(=O)c1ccsc1 62a_100011219462_100011218213 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.35 CSCSCC(=O)c1nccs1 62a_100000718653_100011218213 [0,1,0,0,0,0|2,1,0]=4 496 B12R1.35 CSCSCC(=O)c1nccs1 62a_100011218213_100000718653 [0,1,0,0,0,0|2,1,0]=4 497 B12R1.35 CSCSCC(=O)n1cccn1 62a_100000077511_100011218213 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.35 CSCSCC(=O)n1cccn1 62a_100011218213_100000077511 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.35 C[C@@H](NCCCF)c1ccco1 2230a_100160469435_100011934791 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.35 C[C@@H](NCCCO)c1ccco1 2230a_100160469435_100000230001 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.35 C[C@H](OCCCF)c1ccco1 34a_100000755270_100011934791 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.35 C[C@H](OCCCF)c1ccco1 7a_100000755270_100011934791 [0,1,0,0,0,0|2,0,1]=4 503 B12R1.35 C[C@H](OCCCO)c1ccco1 34a_100000755270_100000230001 [0,1,0,0,0,0|2,0,1]=4 504 B12R1.35 C[C@H](OCCCO)c1ccco1 7a_100000755270_100011215043 [0,1,0,0,0,0|2,0,1]=4 505 B12R1.35 N#CCSCC(=O)c1ccc[nH]1 62a_100011215382_200011262396 [0,1,0,0,0,0|2,0,1]=4 506 B12R1.35 N#CCSCC(=O)c1ccc[nH]1 62a_200011262396_100011215382 [0,1,0,0,0,0|2,0,1]=4 507 B12R1.35 N#CCSCC(=O)c1ccco1 62a_100000211439_100011215382 [0,1,0,0,0,0|1,0,1]=3 508 B12R1.35 N#CCSCC(=O)c1ccco1 62a_100011215382_100000211439 [0,1,0,0,0,0|1,0,1]=3 509 B12R1.35 N#CCSCC(=O)c1cccs1 62a_100000211436_100011215382 [0,1,0,0,0,0|1,1,1]=4 510 B12R1.35 N#CCSCC(=O)c1cccs1 62a_100011215382_100000211436 [0,1,0,0,0,0|1,1,1]=4 511 B12R1.35 NCCOCC(=O)c1ccsc1 34a_100000210304_100011219462 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.35 O=C(CCCCF)C1=CCCC1 1458a_100000038896_100000729493 [0,1,0,0,0,0|1,0,2]=4 513 B12R1.35 O=C(CCCCF)C1=CCOC1 1458a_100000139269_100000729493 [0,1,0,0,0,0|2,0,1]=4 514 B12R1.35 O=C(CCCCF)C1=COCC1 1458a_100000750620_100000729493 [0,1,0,0,0,0|2,0,1]=4 515 B12R1.35 O=C(CCCCF)C1CC=CC1 1458a_100000759439_100000729493 [0,1,0,0,0,0|1,0,2]=4 516 B12R1.35 O=C(CCCCO)C1=CCCC1 1458a_100000038896_100000210776 [0,1,0,0,0,0|1,0,2]=4 517 B12R1.35 O=C(CCCCO)C1=CCOC1 1458a_100000139269_100000210776 [0,1,0,0,0,0|2,0,1]=4 518 B12R1.35 O=C(CCCCO)C1=COCC1 1458a_100000750620_100000210776 [0,1,0,0,0,0|2,0,1]=4 519 B12R1.35 O=C(CCCCO)C1CC=CC1 1458a_100000759439_100000210776 [0,1,0,0,0,0|1,0,2]=4 520 B12R1.35 O=C(CCCCO)N1CC=CC1 1626a_100015195280_100000695505 [0,1,0,0,0,0|2,0,1]=4 521 B12R1.35 O=C(CCSCF)c1cccs1 62a_100011290775_100015361967 [0,1,0,0,0,0|1,1,0]=3 522 B12R1.35 O=C(CCSCF)c1cccs1 62a_100015361967_100011290775 [0,1,0,0,0,0|1,1,0]=3 523 B12R1.35 O=C(CNCCF)c1ccsc1 34a_100000724931_100011219462 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.35 O=C(CNCCO)c1cccs1 2230a_100016997473_100000211436 [0,1,0,0,0,0|1,1,0]=3 525 B12R1.35 O=C(CNCCO)c1ccsc1 2230a_100016997473_100011219462 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.35 O=C(CNCCO)c1ccsc1 34a_100016990907_100011219462 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.35 O=C(CNCCO)n1cccn1 2230a_100016997473_100000077511 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.35 O=C(COCCBr)c1ccsc1 34a_100000211926_100011219462 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.35 O=C(CSCCF)c1ccc[nH]1 62a_100011217306_200011262396 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.35 O=C(CSCCF)c1ccc[nH]1 62a_200011262396_100011217306 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.35 O=C(CSCCF)c1ccco1 62a_100000211439_100011217306 [0,1,0,0,0,0|1,0,0]=2 532 B12R1.35 O=C(CSCCF)c1ccco1 62a_100011217306_100000211439 [0,1,0,0,0,0|1,0,0]=2 533 B12R1.35 O=C(CSCCF)c1cccs1 62a_100000211436_100011217306 [0,1,0,0,0,0|1,1,0]=3 534 B12R1.35 O=C(CSCCF)c1cccs1 62a_100011217306_100000211436 [0,1,0,0,0,0|1,1,0]=3 535 B12R1.35 O=C(CSCCF)c1ccsc1 62a_100011217306_100011219462 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.35 O=C(CSCCF)c1ccsc1 62a_100011219462_100011217306 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.35 O=C(CSCCF)c1nccs1 62a_100000718653_100011217306 [0,1,0,0,0,0|2,1,0]=4 538 B12R1.35 O=C(CSCCF)c1nccs1 62a_100011217306_100000718653 [0,1,0,0,0,0|2,1,0]=4 539 B12R1.35 O=C(CSCCF)n1cccn1 62a_100000077511_100011217306 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.35 O=C(CSCCF)n1cccn1 62a_100011217306_100000077511 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.35 O=C(CSCCO)c1ccc[nH]1 62a_100000211926_200011262396 [0,1,0,0,0,0|2,0,0]=3 542 B12R1.35 O=C(CSCCO)c1ccc[nH]1 62a_200011262396_100000211926 [0,1,0,0,0,0|2,0,0]=3 543 B12R1.35 O=C(CSCCO)c1ccco1 62a_100000211439_100000211926 [0,1,0,0,0,0|1,0,0]=2 544 B12R1.35 O=C(CSCCO)c1ccco1 62a_100000211926_100000211439 [0,1,0,0,0,0|1,0,0]=2 545 B12R1.35 O=C(CSCCO)c1cccs1 62a_100000211436_100000211926 [0,1,0,0,0,0|1,1,0]=3 546 B12R1.35 O=C(CSCCO)c1cccs1 62a_100000211926_100000211436 [0,1,0,0,0,0|1,1,0]=3 547 B12R1.35 O=C(CSCCO)c1ccsc1 62a_100000211926_100011219462 [0,1,0,0,0,0|3,0,0]=4 548 B12R1.35 O=C(CSCCO)c1ccsc1 62a_100011219462_100000211926 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.35 O=C(CSCCO)c1nccs1 62a_100000211926_100000718653 [0,1,0,0,0,0|2,1,0]=4 550 B12R1.35 O=C(CSCCO)c1nccs1 62a_100000718653_100000211926 [0,1,0,0,0,0|2,1,0]=4 551 B12R1.35 O=C(CSCCO)n1cccn1 62a_100000077511_100000211926 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.35 O=C(CSCCO)n1cccn1 62a_100000211926_100000077511 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.35 O=CCSCC(=O)c1ccc[nH]1 62a_200011262396_200015260668 [0,1,0,0,0,0|2,0,1]=4 554 B12R1.35 O=CCSCC(=O)c1ccc[nH]1 62a_200015260668_200011262396 [0,1,0,0,0,0|2,0,1]=4 555 B12R1.35 O=CCSCC(=O)c1ccco1 62a_100000211439_200015260668 [0,1,0,0,0,0|1,0,1]=3 556 B12R1.35 O=CCSCC(=O)c1ccco1 62a_200015260668_100000211439 [0,1,0,0,0,0|1,0,1]=3 557 B12R1.35 O=CCSCC(=O)c1cccs1 62a_100000211436_200015260668 [0,1,0,0,0,0|1,1,1]=4 558 B12R1.35 O=CCSCC(=O)c1cccs1 62a_200015260668_100000211436 [0,1,0,0,0,0|1,1,1]=4 559 B12R1.35 OC(CNCCF)c1ccco1 2230a_100000738650_100011217306 [0,1,0,0,0,0|1,0,2]=4 560 B12R1.35 OCCNCC(O)c1ccco1 2230a_100000738650_100000211926 [0,1,0,0,0,0|1,0,2]=4 561 B12R1.35 [13CH3]SCCNC(=O)n1cccn1 62a_100000070358_200025704644 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.35 [13CH3]SCCNC(=O)n1cccn1 62a_200025704644_100000070358 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.36 CCCCC(NC)c1ccco1 269862a_106832991636_200011535251 [0,1,0,0,0,0|1,0,1]=3 564 B12R1.36 CCCCC(NC)c1cccs1 269862a_106832991636_200011267864 [0,1,0,0,0,0|1,1,1]=4 565 B12R1.36 CCCNC(CC)c1ccco1 2230a_100015202707_100000210303 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.36 CCCNC(CC)c1ccco1 269862a_100020643023_100000749595 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.36 CCCOC(CN)c1ccco1 34a_100000738650_100000210303 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.36 CCNN=C(CC)c1ccco1 4a_100000756455_100000749595 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.54 CC(=NNC(C)C)c1ccco1 4a_100000741168_100000210965 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.54 CC(=O)CCC(=O)c1cccs1 1458a_100000070787_100011290775 [0,1,0,0,0,0|0,1,1]=3 571 B12R1.54 CC(=O)CNC(=O)c1ccco1 1458a_200000183647_200000210301 [0,1,0,0,0,0|1,0,1]=3 572 B12R1.54 CC(=O)CNC(=O)c1cccs1 1458a_100000183069_200000210301 [0,1,0,0,0,0|1,1,1]=4 573 B12R1.54 CC(=O)NNC(=O)c1ccco1 22a_100000185077_100000070787 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.54 CC(C)CCC(=O)C1=CCCC1 1458a_100000038896_100000210312 [0,1,0,0,0,0|1,0,2]=4 575 B12R1.54 CC(C)CCC(=O)C1=CCOC1 1458a_100000139269_100000210312 [0,1,0,0,0,0|2,0,1]=4 576 B12R1.54 CC(C)CCC(=O)C1=COCC1 1458a_100000750620_100000210312 [0,1,0,0,0,0|2,0,1]=4 577 B12R1.54 CC(C)CCC(=O)C1CC=CC1 1458a_100000759439_100000210312 [0,1,0,0,0,0|1,0,2]=4 578 B12R1.54 CC(C)CCC(=O)N1CC=CC1 1626a_100015195280_100000181311 [0,1,0,0,0,0|2,0,1]=4 579 B12R1.54 CC(C)CCC(=O)N1CC=CC1 240690a_100015195280_100000181311 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.54 CC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000210760 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.54 CC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000210432 [0,1,0,0,0,0|2,0,1]=4 582 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000210624 [0,1,0,0,0,0|2,0,1]=4 583 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000210760 [0,1,0,0,0,0|2,0,1]=4 584 B12R1.54 CC(C)NCC(=O)c1cccs1 2230a_100138425928_100000211436 [0,1,0,0,0,0|1,1,0]=3 585 B12R1.54 CC(C)NCC(=O)c1ccsc1 2230a_100138425928_100011219462 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.54 CC(C)NCC(=O)c1ccsc1 34a_100138425928_100011219462 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.54 CC(C)NCC(=O)n1cccn1 2230a_100138425928_100000077511 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.54 CC(C)NCC(O)c1ccco1 2230a_100000738650_100000210206 [0,1,0,0,0,0|1,0,2]=4 589 B12R1.54 CC(C)OCC(=O)c1ccsc1 34a_100000212225_100011219462 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_100000210206_200011262396 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000210206 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000210206_100000211439 [0,1,0,0,0,0|1,0,0]=2 593 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000211439_100000210206 [0,1,0,0,0,0|1,0,0]=2 594 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000210206_100000211436 [0,1,0,0,0,0|1,1,0]=3 595 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000211436_100000210206 [0,1,0,0,0,0|1,1,0]=3 596 B12R1.54 CC(C)SCC(=O)c1ccsc1 62a_100000210206_100011219462 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.54 CC(C)SCC(=O)c1ccsc1 62a_100011219462_100000210206 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.54 CC(C)SCC(=O)c1nccs1 62a_100000210206_100000718653 [0,1,0,0,0,0|2,1,0]=4 599 B12R1.54 CC(C)SCC(=O)c1nccs1 62a_100000718653_100000210206 [0,1,0,0,0,0|2,1,0]=4 600 B12R1.54 CC(C)SCC(=O)n1cccn1 62a_100000077511_100000210206 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.54 CC(C)SCC(=O)n1cccn1 62a_100000210206_100000077511 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.54 CC(O)CCC(=O)C1=CCCC1 1458a_100000038896_100012276601 [0,1,0,0,0,0|1,0,2]=4 603 B12R1.54 CC(O)CCC(=O)C1=CCOC1 1458a_100000139269_100012276601 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.54 CC(O)CCC(=O)C1=COCC1 1458a_100000750620_100012276601 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.54 CC(O)CCC(=O)C1CC=CC1 1458a_100000759439_100012276601 [0,1,0,0,0,0|1,0,2]=4 606 B12R1.54 CC(O)CCC(=O)N1CC=CC1 1626a_100015195280_100000718519 [0,1,0,0,0,0|2,0,1]=4 607 B12R1.54 CC(O)CN[C@H](C)c1ccco1 2230a_100160469435_100011218427 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011218427 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011218427 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.54 CN(C)CCC(=O)c1cccs1 2230a_100102631434_100011290775 [0,1,0,0,0,0|1,1,0]=3 611 B12R1.54 CN(C)CCC(=O)c1cccs1 269982a_100102631434_100011290775 [0,1,0,0,0,0|1,1,0]=3 612 B12R1.54 C[C@@H](O)CN[C@H](C)c1ccco1 2230a_100160469435_100009817552 [0,1,0,0,0,0|2,0,1]=4 613 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 34a_100000755270_100009817552 [0,1,0,0,0,0|2,0,1]=4 614 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 7a_100000755270_100009817552 [0,1,0,0,0,0|2,0,1]=4 615 B12R1.54 [13CH3]C(=O)CNC(=O)c1ccco1 1458a_200000183647_200025704644 [0,1,0,0,0,0|1,0,1]=3 616 B12R1.54 [13CH3]C(=O)CNC(=O)c1cccs1 1458a_100000183069_200025704644 [0,1,0,0,0,0|1,1,1]=4 617 B12R1.55 CC(SCF)C(=O)c1cccs1 62a_100011262360_100015361967 [0,1,0,0,0,0|2,1,0]=4 618 B12R1.55 CC(SCF)C(=O)c1cccs1 62a_100015361967_100011262360 [0,1,0,0,0,0|2,1,0]=4 619 B12R1.55 CCCC(C)C(=O)C1=CCCC1 1458a_100000038896_100000766640 [0,1,0,0,0,0|1,0,2]=4 620 B12R1.55 CCCC(C)C(=O)C1=CCOC1 1458a_100000139269_100000766640 [0,1,0,0,0,0|2,0,1]=4 621 B12R1.55 CCCC(C)C(=O)C1=COCC1 1458a_100000750620_100000766640 [0,1,0,0,0,0|2,0,1]=4 622 B12R1.55 CCCC(C)C(=O)C1CC=CC1 1458a_100000759439_100000766640 [0,1,0,0,0,0|1,0,2]=4 623 B12R1.55 CCCC(C)C(=O)N1CC=CC1 1626a_100015195280_100000210906 [0,1,0,0,0,0|2,0,1]=4 624 B12R1.55 CCCC(C)C(=O)N1CC=CC1 240690a_100015195280_100000210906 [0,1,0,0,0,0|2,0,1]=4 625 B12R1.55 CCCN(C)C(C)c1ccco1 2230a_100000232712_100000210303 [0,1,0,0,0,0|2,0,1]=4 626 B12R1.55 CCCN(C)C(C)c1ccco1 269982a_100000232712_100000210303 [0,1,0,0,0,0|2,0,1]=4 627 B12R1.55 CCC[C@H](O)C(=O)N1CC=CC1 240690a_100015195280_100009822183 [0,1,0,0,0,0|2,0,1]=4 628 B12R1.55 CCNC(C)C(=O)c1cccs1 2230a_100015525214_100011262360 [0,1,0,0,0,0|1,1,0]=3 629 B12R1.55 CCSC(C)C(=O)c1cccs1 62a_100000210202_100011262360 [0,1,0,0,0,0|1,1,0]=3 630 B12R1.55 CCSC(C)C(=O)c1cccs1 62a_100011262360_100000210202 [0,1,0,0,0,0|1,1,0]=3 631 B12R1.99 CCCNS(=O)(=O)c1ccco1 270084a_100020643023_200000702926 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.99 CCCNS(=O)(=O)c1ccco1 274078a_100020643023_200000702926 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.99 CCCNS(=O)(=O)c1cccs1 270084a_100020643023_100000205146 [0,1,0,0,0,0|2,1,0]=4 634 B12R1.99 CCCNS(=O)(=O)c1cccs1 274078a_100020643023_100000205146 [0,1,0,0,0,0|2,1,0]=4 635 B12R1.99 CCCNS(=O)(=O)c1cccs1 40a_100020643023_200000102146 [0,1,0,0,0,0|2,1,0]=4 636 B12R1.99 O=S(=O)(NCCF)c1ccco1 270084a_100000724931_200000702926 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.99 O=S(=O)(NCCF)c1ccco1 274078a_100000724931_200000702926 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.99 O=S(=O)(NCCO)c1ccco1 270084a_100000210304_200000702926 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.99 O=S(=O)(NCCO)c1ccco1 274078a_100000210304_200000702926 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.460 CCNCC(=O)c1cccn1C 2230a_100015525214_200011262399 [0,1,0,0,0,0|2,0,0]=3 641 B12R1.460 CCNCC(=O)c1sccc1Br 2230a_100015525214_100000740827 [0,1,0,0,0,0|1,1,0]=3 642 B12R1.460 CCOCC(=O)c1cccn1C 34a_100121572206_200011262399 [0,1,0,0,0,0|2,0,0]=3 643 B12R1.460 CCOCC(=O)c1nccn1C 34a_100121572206_100010243886 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.460 CCOCC(=O)c1sccc1Br 34a_100121572206_100000740827 [0,1,0,0,0,0|1,1,0]=3 645 B12R1.460 CCSCC(=O)c1cccn1C 62a_100000210202_200011262399 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.460 CCSCC(=O)c1cccn1C 62a_200011262399_100000210202 [0,1,0,0,0,0|2,0,0]=3 647 B12R1.460 CCSCC(=O)c1nccn1C 62a_100000210202_100010243886 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.460 CCSCC(=O)c1nccn1C 62a_100010243886_100000210202 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.460 CCSCC(=O)c1sccc1Br 62a_100000740827_100000210202 [0,1,0,0,0,0|1,1,0]=3 650 B12R1.460 Cn1cccc1C(=O)CSCF 62a_100015361967_200011262399 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.460 Cn1cccc1C(=O)CSCF 62a_200011262399_100015361967 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.460 O=C(CSCF)c1sccc1Br 62a_100000740827_100015361967 [0,1,0,0,0,0|2,1,0]=4 653 B10R0.19 C=CCC(=O)C(=O)NCCC 1458a_200011297150_100000210623 [0,0,1,0,0,0|1,0,2]=4 654 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,0,1,0,0,0|1,0,2]=4 655 B10R0.19 C=CCN(C)C(=O)CCCC 11a_100000225617_100000210183 [0,0,1,0,0,0|2,0,1]=4 656 B10R0.19 C=CCN(C)C(=O)CCCC 1626a_100000225617_100000210183 [0,0,1,0,0,0|2,0,1]=4 657 B10R0.19 C=CCN(C)C(=O)CCCC 240690a_100000225617_100000210183 [0,0,1,0,0,0|2,0,1]=4 658 B10R0.19 C=CCN(C)C(=O)CCCC 527a_100000225617_100000210183 [0,0,1,0,0,0|2,0,1]=4 659 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,0,1,0,0,0|1,0,2]=4 660 B10R0.91 C#CCCC(=O)C=C/C=C/C 1458a_100000185730_100000753159 [0,0,1,0,0,0|1,0,2]=4 661 B10R0.91 C/C=C/C=CC(=O)C/C=C/C 1458a_100000185730_100102629194 [0,0,1,0,0,0|1,0,2]=4 662 B10R0.91 C/C=C/C=CC(=O)CCC#N 1458a_100000185730_100011215226 [0,0,1,0,0,0|2,0,1]=4 663 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [0,0,1,0,0,0|1,0,0]=2 664 B10R0.91 C/C=C/C=CC(=O)CCCF 1458a_100000185730_100011934791 [0,0,1,0,0,0|2,0,0]=3 665 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [0,0,1,0,0,0|2,0,0]=3 666 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [0,0,1,0,0,0|2,0,0]=3 667 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [0,0,1,0,0,0|2,0,0]=3 668 B10R0.91 C/C=C/C=CC(=O)NCCC 11a_100020643023_100000185730 [0,0,1,0,0,0|2,0,0]=3 669 B10R0.91 C/C=C/C=CC(=O)NCCC 1626a_100020643023_100000185730 [0,0,1,0,0,0|2,0,0]=3 670 B10R0.91 C/C=C/C=CC(=O)NCCC 240690a_100020643023_100000185730 [0,0,1,0,0,0|2,0,0]=3 671 B10R0.91 C/C=C/C=CC(=O)NCCF 11a_100000724931_100000185730 [0,0,1,0,0,0|3,0,0]=4 672 B10R0.91 C/C=C/C=CC(=O)NCCF 1626a_100000724931_100000185730 [0,0,1,0,0,0|3,0,0]=4 673 B10R0.91 C/C=C/C=CC(=O)NCCF 240690a_100000724931_100000185730 [0,0,1,0,0,0|3,0,0]=4 674 B10R0.91 C/C=C/C=CC(=O)NCCO 240690a_100000210304_100000185730 [0,0,1,0,0,0|3,0,0]=4 675 B10R0.91 C/C=C/C=CC(=O)NNCC 22a_100000756455_100000185730 [0,0,1,0,0,0|3,0,0]=4 676 B10R0.91 C=CCCC(=O)C=C/C=C/C 1458a_100000185730_100000754431 [0,0,1,0,0,0|1,0,2]=4 677 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,0,1,0,0,0|1,0,2]=4 678 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,0,1,0,0,0|1,0,2]=4 679 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [0,0,1,0,0,0|2,0,1]=4 680 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [0,0,1,0,0,0|2,0,1]=4 681 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [0,0,1,0,0,0|2,0,1]=4 682 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [0,0,1,0,0,0|2,0,1]=4 683 B10R0.91 C=CCNNC(=O)CCCC 22a_100020588587_100000210183 [0,0,1,0,0,0|2,0,1]=4 684 B10R0.91 C=CCOCC(=O)NCCC 34a_200000210373_100000183358 [0,0,1,0,0,0|1,0,2]=4 685 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [0,0,1,0,0,0|1,0,2]=4 686 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [0,0,1,0,0,0|0,1,2]=4 687 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,0,1,0,0,0|2,0,1]=4 688 B10R0.91 CC#CCC(=O)C=C/C=C/C 1458a_100000185730_100000748600 [0,0,1,0,0,0|1,0,2]=4 689 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,0,1,0,0,0|1,0,2]=4 690 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,0,1,0,0,0|1,0,2]=4 691 B10R0.91 CC=CCC(=O)C=C/C=C/C 1458a_100000185730_100000070051 [0,0,1,0,0,0|1,0,2]=4 692 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,0,1,0,0,0|1,0,2]=4 693 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [0,0,1,0,0,0|2,0,1]=4 694 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,0,1,0,0,0|2,0,1]=4 695 B12R2.2 C1=C(CCCC1)c2c[nH]cn2 271570a_100000062251_100000756875 [0,0,0,1,0,0|3,0,0]=4 696 B12R2.2 C1=C(CCCC1)c2cc[nH]n2 271570a_100000062251_100000062575 [0,0,0,1,0,0|3,0,0]=4 697 B12R2.2 C1=C(CCCC1)c2ccco2 271570a_100000062251_100009814098 [0,0,0,1,0,0|1,0,0]=2 698 B12R2.2 C1=C(CCCC1)c2cccs2 271570a_100000062251_100011215356 [0,0,0,1,0,0|1,1,0]=3 699 B12R2.2 C1=C(CCCC1)c2ccoc2 271570a_100000062251_100011215275 [0,0,0,1,0,0|3,0,0]=4 700 B12R2.2 C1=C(CCCC1)c2ccsc2 271570a_100000062251_100000738268 [0,0,0,1,0,0|3,0,0]=4 701 B12R2.2 C1=C(CCCC1)c2ccsn2 271570a_100000062251_100009818082 [0,0,0,1,0,0|3,0,0]=4 702 B12R2.2 C1=C(CCCC1)c2cnco2 271570a_100000062251_100020591547 [0,0,0,1,0,0|2,0,0]=3 703 B12R2.2 C1=C(CCCC1)c2cncs2 271570a_100000062251_100011934649 [0,0,0,1,0,0|2,1,0]=4 704 B12R2.2 C1=C(CCCC1)c2cscn2 271570a_100000062251_100000751502 [0,0,0,1,0,0|3,0,0]=4 705 B12R2.2 C1=C(CCCC1)c2ncc[nH]2 271570a_100000062251_100025796157 [0,0,0,1,0,0|3,0,0]=4 706 B12R2.2 C1=C(CCCC1)c2ncco2 271570a_100000062251_100011787736 [0,0,0,1,0,0|2,0,0]=3 707 B12R2.2 C1=C(CCCC1)c2nccs2 271570a_100000062251_100000211983 [0,0,0,1,0,0|2,1,0]=4 708 B12R2.2 C1=C(CCCO1)c2ccco2 271570a_100010175576_100009814098 [0,0,0,1,0,0|2,0,0]=3 709 B12R2.2 C1=C(CCCO1)c2cccs2 271570a_100010175576_100011215356 [0,0,0,1,0,0|2,1,0]=4 710 B12R2.2 C1=C(CCCO1)c2cnco2 271570a_100010175576_100020591547 [0,0,0,1,0,0|3,0,0]=4 711 B12R2.2 C1=C(CCCO1)c2ncco2 271570a_100010175576_100011787736 [0,0,0,1,0,0|3,0,0]=4 712 B12R2.2 C1=C(CCNC1)c2ccco2 271570a_100000731432_100009814098 [0,0,0,1,0,0|2,0,0]=3 713 B12R2.2 C1=C(CCNC1)c2cccs2 271570a_100000731432_100011215356 [0,0,0,1,0,0|2,1,0]=4 714 B12R2.2 C1=C(CCNC1)c2cnco2 271570a_100000731432_100020591547 [0,0,0,1,0,0|3,0,0]=4 715 B12R2.2 C1=C(CCNC1)c2ncco2 271570a_100000731432_100011787736 [0,0,0,1,0,0|3,0,0]=4 716 B12R2.2 C1=C(CCOC1)c2ccco2 271570a_100000070234_100009814098 [0,0,0,1,0,0|2,0,0]=3 717 B12R2.2 C1=C(CCOC1)c2cccs2 271570a_100000070234_100011215356 [0,0,0,1,0,0|2,1,0]=4 718 B12R2.2 C1=C(CCOC1)c2cnco2 271570a_100000070234_100020591547 [0,0,0,1,0,0|3,0,0]=4 719 B12R2.2 C1=C(CCOC1)c2ncco2 271570a_100000070234_100011787736 [0,0,0,1,0,0|3,0,0]=4 720 B12R2.2 C1=C(CCSC1)c2ccco2 271570a_100010232141_100009814098 [0,0,0,1,0,0|2,0,0]=3 721 B12R2.2 C1=C(CCSC1)c2cccs2 271570a_100010232141_100011215356 [0,0,0,1,0,0|2,1,0]=4 722 B12R2.2 C1=C(CCSC1)c2cnco2 271570a_100010232141_100020591547 [0,0,0,1,0,0|3,0,0]=4 723 B12R2.2 C1=C(CCSC1)c2ncco2 271570a_100010232141_100011787736 [0,0,0,1,0,0|3,0,0]=4 724 B12R2.2 C1=C(OCCC1)c2ccco2 271570a_100010177797_100009814098 [0,0,0,1,0,0|0,0,2]=3 725 B12R2.2 C1=C(OCCC1)c2cccs2 271570a_100010177797_100011215356 [0,0,0,1,0,0|0,1,2]=4 726 B12R2.2 C1=C(OCCC1)c2cnco2 271570a_100010177797_100020591547 [0,0,0,1,0,0|1,0,2]=4 727 B12R2.2 C1=C(OCCC1)c2ncco2 271570a_100010177797_100011787736 [0,0,0,1,0,0|1,0,2]=4 728 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [0,0,0,1,0,0|2,0,1]=4 729 B12R2.102 CC1CC1C(=O)N2CC=CC2 1626a_100015195280_100000211227 [0,0,0,1,0,0|2,0,1]=4 730 B12R2.2074 C[C@H](OC1CC1)c2ccco2 34a_100000755270_100000211595 [0,0,0,1,0,0|2,0,1]=4 731 B12R2.2074 O=C(CC1CC1)C2=CCCC2 1458a_100000038896_100000742324 [0,0,0,1,0,0|1,0,2]=4 732 B12R2.2074 O=C(CC1CC1)C2=CCOC2 1458a_100000139269_100000742324 [0,0,0,1,0,0|2,0,1]=4 733 B12R2.2074 O=C(CC1CC1)C2=COCC2 1458a_100000750620_100000742324 [0,0,0,1,0,0|2,0,1]=4 734 B12R2.2074 O=C(CC1CC1)C2CC=CC2 1458a_100000759439_100000742324 [0,0,0,1,0,0|1,0,2]=4 735 B12R2.2074 O=C(CC1CC1)N2CC=CC2 1626a_100015195280_100000738066 [0,0,0,1,0,0|2,0,1]=4 736 B12R2.2074 O=C(CC1CC1)N2CC=CC2 240690a_100015195280_100000738066 [0,0,0,1,0,0|2,0,1]=4 737 B12R2.3797 O=C(C1=CCCC1)C2CCC2 1458a_100000038896_100000749161 [0,0,0,1,0,0|1,0,2]=4 738 B12R2.3797 O=C(C1=CCOC1)C2CCC2 1458a_100000139269_100000749161 [0,0,0,1,0,0|2,0,1]=4 739 B12R2.3797 O=C(C1=COCC1)C2CCC2 1458a_100000750620_100000749161 [0,0,0,1,0,0|2,0,1]=4 740 B12R2.3797 O=C(C1CC=CC1)C2CCC2 1458a_100000759439_100000749161 [0,0,0,1,0,0|1,0,2]=4 741 B12R2.3797 O=C(C1CCC1)N2CC=CC2 1626a_100015195280_100000209988 [0,0,0,1,0,0|2,0,1]=4 742 B12R2.3797 O=C(C1CCC1)N2CC=CC2 240690a_100015195280_100000209988 [0,0,0,1,0,0|2,0,1]=4 743 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,0,0,0,1,0|0,0,3]=4 744 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,0,0,0,0,1|1,0,2]=4 745 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,0,0,0,0,1|1,0,2]=4 746 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,0,0,0,0,1|1,0,2]=4 747 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [0,0,0,0,0,1|1,0,2]=4 748 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,0,0,0,0,1|1,0,2]=4 749 B12R1.30 CCCCC(=O)C1=CCCCC1 1458a_100000765259_100000210211 [0,0,0,0,0,1|1,0,2]=4 750 B12R1.30 CCCCC(=O)C1=CCCCO1 1458a_100000764163_100000210211 [0,0,0,0,0,1|0,0,2]=3 751 B12R1.30 CCCCC(=O)C1=COCCC1 1458a_100000749935_100000210211 [0,0,0,0,0,1|0,0,3]=4 752 B12R1.30 CCCCC(=O)C1=COCCO1 1458a_100000008702_100000210211 [0,0,0,0,0,1|0,0,2]=3 753 B12R1.30 CCCCC(=O)C1C=CCCC1 1458a_100000210183_100000751183 [0,0,0,0,0,1|1,0,2]=4 754 B12R1.30 CCCCC(=O)N1CC=CCC1 11a_100000698166_100000210183 [0,0,0,0,0,1|2,0,1]=4 755 B12R1.30 CCCCC(=O)N1CC=CCC1 1626a_100000698166_100000210183 [0,0,0,0,0,1|2,0,1]=4 756 B12R1.30 CCCCC(=O)N1CC=CCC1 240690a_100000698166_100000210183 [0,0,0,0,0,1|2,0,1]=4 757 B12R1.30 CCCCC(=O)N1CC=CCC1 527a_100000698166_100000210183 [0,0,0,0,0,1|2,0,1]=4 758 B12R1.30 CCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210211 [0,0,0,0,0,1|1,0,2]=4 759 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,0,0,0,0,1|1,0,0]=2 760 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,0,0,0,0,1|3,0,0]=4 761 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,0,0,0,0,1|3,0,0]=4 762 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,0,0,0,0,1|3,0,0]=4 763 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,0,0,0,0,1|3,0,0]=4 764 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,0,0,0,0,1|3,0,0]=4 765 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,0,0,0,0,1|3,0,0]=4 766 B12R1.30 CCCCN(C)c1cccnn1 27a_100000207549_100016991348 [0,0,0,0,0,1|3,0,0]=4 767 B12R1.30 CCCCN(C)c1ccncn1 27a_100000207549_100000703185 [0,0,0,0,0,1|3,0,0]=4 768 B12R1.30 CCCCN(C)c1cnccn1 27a_100000207549_100000211759 [0,0,0,0,0,1|3,0,0]=4 769 B12R1.30 CCCCN(C)c1ncccn1 27a_100000207549_100000211032 [0,0,0,0,0,1|3,0,0]=4 770 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,0,0,0,0,1|3,0,0]=4 771 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,0,0,0,0,1|3,0,0]=4 772 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,0,0,0,0,1|3,0,0]=4 773 B12R1.30 CCCNC(=O)C1=CCCCO1 11a_100020643023_100000764163 [0,0,0,0,0,1|1,0,2]=4 774 B12R1.30 CCCNC(=O)C1=CCCCO1 1626a_100020643023_100000764163 [0,0,0,0,0,1|1,0,2]=4 775 B12R1.30 CCCNC(=O)C1=CCCCO1 240690a_100020643023_100000764163 [0,0,0,0,0,1|1,0,2]=4 776 B12R1.30 CCCNC(=O)C1=CCCCO1 527a_100020643023_100000764163 [0,0,0,0,0,1|1,0,2]=4 777 B12R1.30 CCCNC(=O)C1=COCCO1 11a_100020643023_100000008702 [0,0,0,0,0,1|1,0,2]=4 778 B12R1.30 CCCNC(=O)C1=COCCO1 1626a_100020643023_100000008702 [0,0,0,0,0,1|1,0,2]=4 779 B12R1.30 CCCNC(=O)C1=COCCO1 240690a_100020643023_100000008702 [0,0,0,0,0,1|1,0,2]=4 780 B12R1.30 CCCNC(=O)C1=COCCO1 527a_100020643023_100000008702 [0,0,0,0,0,1|1,0,2]=4 781 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,0,0,0,0,1|2,0,0]=3 782 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,0,0,0,0,1|2,0,0]=3 783 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,0,0,0,0,1|2,0,0]=3 784 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,0,0,0,0,1|2,0,0]=3 785 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,0,0,0,0,1|3,0,0]=4 786 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,0,0,0,0,1|2,0,0]=3 787 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,0,0,0,0,1|2,0,0]=3 788 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,0,0,0,0,1|2,0,0]=3 789 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [0,0,0,0,0,1|2,0,0]=3 790 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [0,0,0,0,0,1|2,0,0]=3 791 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [0,0,0,0,0,1|2,0,0]=3 792 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [0,0,0,0,0,1|2,0,0]=3 793 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [0,0,0,0,0,1|2,0,0]=3 794 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [0,0,0,0,0,1|2,0,0]=3 795 B12R1.30 CCSCC(=O)c1ncccn1 62a_100000210202_100020636365 [0,0,0,0,0,1|2,0,0]=3 796 B12R1.30 CCSCC(=O)c1ncccn1 62a_100020636365_100000210202 [0,0,0,0,0,1|2,0,0]=3 797 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,0,0,0,0,1|3,0,0]=4 798 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,0,0,0,0,1|2,0,0]=3 799 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,0,0,0,0,1|2,0,0]=3 800 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,0,0,0,0,1|3,0,0]=4 801 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,0,0,0,0,1|3,0,0]=4 802 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,0,0,0,0,1|3,0,0]=4 803 B12R1.30 COCCC(=O)C1=CCCCO1 1458a_100000764163_100000233755 [0,0,0,0,0,1|1,0,2]=4 804 B12R1.30 COCCC(=O)C1=COCCO1 1458a_100000008702_100000233755 [0,0,0,0,0,1|1,0,2]=4 805 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,0,0,0,0,1|2,0,0]=3 806 B12R1.30 CSCCC(=O)C1=CCCCO1 1458a_100000764163_100000751147 [0,0,0,0,0,1|1,0,2]=4 807 B12R1.30 CSCCC(=O)C1=COCCO1 1458a_100000008702_100000751147 [0,0,0,0,0,1|1,0,2]=4 808 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,0,0,0,0,1|2,0,0]=3 809 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,0,0,0,0,1|2,0,0]=3 810 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,0,0,0,0,1|2,0,0]=3 811 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,0,0,0,0,1|3,0,0]=4 812 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,0,0,0,0,1|3,0,0]=4 813 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,0,0,0,0,1|3,0,0]=4 814 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,0,0,0,0,1|2,0,1]=4 815 B12R1.30 O=C(CCCF)C1=CCCCO1 1458a_100000764163_100011934791 [0,0,0,0,0,1|1,0,2]=4 816 B12R1.30 O=C(CCCF)C1=COCCO1 1458a_100000008702_100011934791 [0,0,0,0,0,1|1,0,2]=4 817 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,0,0,0,0,1|2,0,0]=3 818 B12R1.30 O=C(CCCO)C1=CCCCO1 1458a_100000764163_100011215043 [0,0,0,0,0,1|1,0,2]=4 819 B12R1.30 O=C(CCCO)C1=COCCO1 1458a_100000008702_100011215043 [0,0,0,0,0,1|1,0,2]=4 820 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,0,0,0,0,1|2,0,0]=3 821 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,0,0,0,0,1|3,0,0]=4 822 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,0,0,0,0,1|3,0,0]=4 823 B12R1.30 O=C(CSCF)c1ccccn1 62a_100000027445_100015361967 [0,0,0,0,0,1|3,0,0]=4 824 B12R1.30 O=C(CSCF)c1ccccn1 62a_100015361967_100000027445 [0,0,0,0,0,1|3,0,0]=4 825 B12R1.30 O=C(CSCF)c1cccnc1 62a_100000757877_100015361967 [0,0,0,0,0,1|3,0,0]=4 826 B12R1.30 O=C(CSCF)c1cccnc1 62a_100015361967_100000757877 [0,0,0,0,0,1|3,0,0]=4 827 B12R1.30 O=C(CSCF)c1ccncc1 62a_100000027454_100015361967 [0,0,0,0,0,1|3,0,0]=4 828 B12R1.30 O=C(CSCF)c1ccncc1 62a_100015361967_100000027454 [0,0,0,0,0,1|3,0,0]=4 829 B12R1.30 O=C(CSCF)c1ncccn1 62a_100015361967_100020636365 [0,0,0,0,0,1|3,0,0]=4 830 B12R1.30 O=C(CSCF)c1ncccn1 62a_100020636365_100015361967 [0,0,0,0,0,1|3,0,0]=4 831 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,0,0,0,0,1|3,0,0]=4 832 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,0,0,0,0,1|3,0,0]=4 833 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,0,0,0,0,1|3,0,0]=4 834 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,0,0,0,0,1|3,0,0]=4 835 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,0,0,0,0,1|3,0,0]=4 836 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,0,0,0,0,1|3,0,0]=4 837 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,0,0,0,0,1|2,0,0]=3 838 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,0,0,0,0,1|2,0,0]=3 839 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,0,0,0,0,1|3,0,0]=4 840 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,0,0,0,0,1|3,0,0]=4 841 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,0,0,0,0,1|3,0,0]=4 842 B12R1.53 C#CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000753159 [0,0,0,0,0,1|1,0,2]=4 843 B12R1.53 C#CCCC(=O)Cc1ccco1 1458a_100011217309_100000753159 [0,0,0,0,0,1|0,0,2]=3 844 B12R1.53 C#CCCC(=O)Cc1cccs1 1458a_100000210189_100000753159 [0,0,0,0,0,1|0,1,2]=4 845 B12R1.53 C#CCCC(=O)Cc1ncco1 1458a_100000692101_103436540062 [0,0,0,0,0,1|1,0,2]=4 846 B12R1.53 C#CCNC(=O)Cc1ccco1 11a_100000212058_100011217309 [0,0,0,0,0,1|1,0,2]=4 847 B12R1.53 C#CCNC(=O)Cc1ccco1 527a_100000212058_100011217309 [0,0,0,0,0,1|1,0,2]=4 848 B12R1.53 C/C=C/CC(=O)Cc1ccc[nH]1 1458a_100000238377_100102629194 [0,0,0,0,0,1|1,0,2]=4 849 B12R1.53 C/C=C/CC(=O)Cc1ccco1 1458a_100011217309_100102629194 [0,0,0,0,0,1|0,0,2]=3 850 B12R1.53 C/C=C/CC(=O)Cc1cccs1 1458a_100000210189_100102629194 [0,0,0,0,0,1|0,1,2]=4 851 B12R1.53 C=CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000754431 [0,0,0,0,0,1|1,0,2]=4 852 B12R1.53 C=CCCC(=O)Cc1ccco1 1458a_100011217309_100000754431 [0,0,0,0,0,1|0,0,2]=3 853 B12R1.53 C=CCCC(=O)Cc1cccs1 1458a_100000210189_100000754431 [0,0,0,0,0,1|0,1,2]=4 854 B12R1.53 C=CCCC(=O)Cc1ncco1 1458a_100000749702_103436540062 [0,0,0,0,0,1|1,0,2]=4 855 B12R1.53 C=CCNC(=O)Cc1ccco1 527a_100020586998_100011217309 [0,0,0,0,0,1|1,0,2]=4 856 B12R1.53 CC#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000748600 [0,0,0,0,0,1|1,0,2]=4 857 B12R1.53 CC#CCC(=O)Cc1ccco1 1458a_100011217309_100000748600 [0,0,0,0,0,1|0,0,2]=3 858 B12R1.53 CC#CCC(=O)Cc1cccs1 1458a_100000210189_100000748600 [0,0,0,0,0,1|0,1,2]=4 859 B12R1.53 CC=CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000070051 [0,0,0,0,0,1|1,0,2]=4 860 B12R1.53 CC=CCC(=O)Cc1ccco1 1458a_100011217309_100000070051 [0,0,0,0,0,1|0,0,2]=3 861 B12R1.53 CC=CCC(=O)Cc1cccs1 1458a_100000210189_100000070051 [0,0,0,0,0,1|0,1,2]=4 862 B12R1.53 CC=CCC(=O)Cc1ncco1 1458a_100121576822_103436540062 [0,0,0,0,0,1|1,0,2]=4 863 B12R1.53 CCC#CC(=O)Cc1ncco1 1458a_100011827653_103436540062 [0,0,0,0,0,1|1,0,2]=4 864 B12R1.53 CCC=CC(=O)Cc1ncco1 1458a_100000212282_103436540062 [0,0,0,0,0,1|1,0,2]=4 865 B12R1.53 CCCCC(=Cc1c[nH]cn1)Br 271570a_206741709834_100000756875 [0,0,0,0,0,1|3,0,0]=4 866 B12R1.53 CCCCC(=Cc1cc[nH]n1)Br 271570a_206741709834_100000062575 [0,0,0,0,0,1|3,0,0]=4 867 B12R1.53 CCCCC(=Cc1ccco1)Br 271570a_206741709834_100009814098 [0,0,0,0,0,1|1,0,0]=2 868 B12R1.53 CCCCC(=Cc1cccs1)Br 271570a_206741709834_100011215356 [0,0,0,0,0,1|1,1,0]=3 869 B12R1.53 CCCCC(=Cc1ccoc1)Br 271570a_206741709834_100011215275 [0,0,0,0,0,1|3,0,0]=4 870 B12R1.53 CCCCC(=Cc1ccsc1)Br 271570a_206741709834_100000738268 [0,0,0,0,0,1|3,0,0]=4 871 B12R1.53 CCCCC(=Cc1ccsn1)Br 271570a_206741709834_100009818082 [0,0,0,0,0,1|3,0,0]=4 872 B12R1.53 CCCCC(=Cc1cnco1)Br 271570a_206741709834_100020591547 [0,0,0,0,0,1|2,0,0]=3 873 B12R1.53 CCCCC(=Cc1cncs1)Br 271570a_206741709834_100011934649 [0,0,0,0,0,1|2,1,0]=4 874 B12R1.53 CCCCC(=Cc1cscn1)Br 271570a_206741709834_100000751502 [0,0,0,0,0,1|3,0,0]=4 875 B12R1.53 CCCCC(=Cc1ncc[nH]1)Br 271570a_206741709834_100025796157 [0,0,0,0,0,1|3,0,0]=4 876 B12R1.53 CCCCC(=Cc1ncco1)Br 271570a_206741709834_100011787736 [0,0,0,0,0,1|2,0,0]=3 877 B12R1.53 CCCCC(=Cc1nccs1)Br 271570a_206741709834_100000211983 [0,0,0,0,0,1|2,1,0]=4 878 B12R1.53 CCCCC(=O)CC1=CCCC1 1458a_100000050221_100000210211 [0,0,0,0,0,1|1,0,2]=4 879 B12R1.53 CCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210211 [0,0,0,0,0,1|1,0,2]=4 880 B12R1.53 CCCCC(=O)CC1CC=CC1 1458a_200000137526_100000210211 [0,0,0,0,0,1|1,0,2]=4 881 B12R1.53 CCCCC(=O)Cc1c[nH]cn1 1458a_100000210183_100000707719 [0,0,0,0,0,1|2,0,0]=3 882 B12R1.53 CCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210211 [0,0,0,0,0,1|2,0,0]=3 883 B12R1.53 CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210211 [0,0,0,0,0,1|1,0,0]=2 884 B12R1.53 CCCCC(=O)Cc1ccco1 1458a_100011217309_100000210211 [0,0,0,0,0,1|0,0,0]=1 885 B12R1.53 CCCCC(=O)Cc1cccs1 1458a_100000210189_100000210211 [0,0,0,0,0,1|0,1,0]=2 886 B12R1.53 CCCCC(=O)Cc1ccn[nH]1 1458a_100000210183_100000728653 [0,0,0,0,0,1|2,0,0]=3 887 B12R1.53 CCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210211 [0,0,0,0,0,1|2,0,0]=3 888 B12R1.53 CCCCC(=O)Cc1ccoc1 1458a_100000684892_100000210211 [0,0,0,0,0,1|2,0,0]=3 889 B12R1.53 CCCCC(=O)Cc1ccon1 1458a_100000210183_100000234950 [0,0,0,0,0,1|2,0,0]=3 890 B12R1.53 CCCCC(=O)Cc1ccsc1 1458a_100000184062_100000210211 [0,0,0,0,0,1|2,0,0]=3 891 B12R1.53 CCCCC(=O)Cc1ccsc1 1458a_100000210183_100011233845 [0,0,0,0,0,1|2,0,0]=3 892 B12R1.53 CCCCC(=O)Cc1cncs1 1458a_100000210183_100015185245 [0,0,0,0,0,1|1,1,0]=3 893 B12R1.53 CCCCC(=O)Cc1cscn1 1458a_100000210183_100000205941 [0,0,0,0,0,1|2,0,0]=3 894 B12R1.53 CCCCC(=O)Cc1cscn1 1458a_100011438297_100000210211 [0,0,0,0,0,1|2,0,0]=3 895 B12R1.53 CCCCC(=O)Cc1ncco1 1458a_100000210183_103436540062 [0,0,0,0,0,1|1,0,0]=2 896 B12R1.53 CCCCC(=O)Cc1nccs1 1458a_100000210183_100015184050 [0,0,0,0,0,1|1,1,0]=3 897 B12R1.53 CCCCC(=O)Cn1cccc1 1458a_100011196272_100000210211 [0,0,0,0,0,1|2,0,0]=3 898 B12R1.53 CCCCC(=O)Cn1cccn1 1458a_100000233772_100000210211 [0,0,0,0,0,1|2,0,0]=3 899 B12R1.53 CCCCC(=O)Cn1ccnc1 1458a_100000739072_100000210211 [0,0,0,0,0,1|3,0,0]=4 900 B12R1.53 CCCCC(=O)Cn1ccnn1 1458a_100000080816_100000210211 [0,0,0,0,0,1|3,0,0]=4 901 B12R1.53 CCCCC(=O)Cn1cncn1 1458a_100000210183_200020645497 [0,0,0,0,0,1|3,0,0]=4 902 B12R1.53 CCCCC(=O)Cn1cncn1 1458a_100000699347_100000210211 [0,0,0,0,0,1|3,0,0]=4 903 B12R1.53 CCCCC(=O)Cn1nccn1 1458a_100000080817_100000210211 [0,0,0,0,0,1|3,0,0]=4 904 B12R1.53 CCCCC(=O)NC1C=CN=N1 11a_100134613517_100000210183 [0,0,0,0,0,1|2,0,1]=4 905 B12R1.53 CCCCC(=O)NC1C=CN=N1 240690a_100134613517_100000210183 [0,0,0,0,0,1|2,0,1]=4 906 B12R1.53 CCCCC(=O)NC1CC=CC1 11a_100015188752_100000210183 [0,0,0,0,0,1|1,0,2]=4 907 B12R1.53 CCCCC(=O)NC1CC=CC1 1626a_100015188752_100000210183 [0,0,0,0,0,1|1,0,2]=4 908 B12R1.53 CCCCC(=O)NC1CC=CC1 240690a_100015188752_100000210183 [0,0,0,0,0,1|1,0,2]=4 909 B12R1.53 CCCCC(=O)NC1CC=CC1 527a_100015188752_100000210183 [0,0,0,0,0,1|1,0,2]=4 910 B12R1.53 CCCCC(C)Sc1ccco1 62a_100009814098_200011215066 [0,0,0,0,0,1|1,0,1]=3 911 B12R1.53 CCCCC(C)Sc1ccco1 62a_200011215066_100009814098 [0,0,0,0,0,1|1,0,1]=3 912 B12R1.53 CCCCC(C)Sc1cccs1 62a_100011215356_200011215066 [0,0,0,0,0,1|1,1,1]=4 913 B12R1.53 CCCCC(C)Sc1cccs1 62a_200011215066_100011215356 [0,0,0,0,0,1|1,1,1]=4 914 B12R1.53 CCCCC(C)Sc1cnco1 62a_100020591547_200011215066 [0,0,0,0,0,1|2,0,1]=4 915 B12R1.53 CCCCC(C)Sc1cnco1 62a_200011215066_100020591547 [0,0,0,0,0,1|2,0,1]=4 916 B12R1.53 CCCCC(C)Sc1ncco1 62a_100011787736_200011215066 [0,0,0,0,0,1|2,0,1]=4 917 B12R1.53 CCCCC(C)Sc1ncco1 62a_200011215066_100011787736 [0,0,0,0,0,1|2,0,1]=4 918 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100000185268_100000210211 [0,0,0,0,0,1|2,0,0]=3 919 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100015184542_200000210301 [0,0,0,0,0,1|2,0,0]=3 920 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100000185268_100000210211 [0,0,0,0,0,1|2,0,0]=3 921 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100015184542_200000210301 [0,0,0,0,0,1|2,0,0]=3 922 B12R1.53 CCCCN(C)Cc1ccco1 270004a_100000207549_100000186105 [0,0,0,0,0,1|2,0,0]=3 923 B12R1.53 CCCCN(C)Cc1cccs1 2230a_100000184426_100000210211 [0,0,0,0,0,1|2,1,0]=4 924 B12R1.53 CCCCN(C)Cc1cccs1 2230a_200000200673_200000210301 [0,0,0,0,0,1|2,1,0]=4 925 B12R1.53 CCCCN(C)Cc1cccs1 269982a_100000184426_100000210211 [0,0,0,0,0,1|2,1,0]=4 926 B12R1.53 CCCCN(C)Cc1cccs1 269982a_200000200673_200000210301 [0,0,0,0,0,1|2,1,0]=4 927 B12R1.53 CCCCN(C)Cc1cccs1 270004a_100000207549_100000209959 [0,0,0,0,0,1|2,1,0]=4 928 B12R1.53 CCCCN(C)Cc1cnco1 270004a_100000207549_100000064291 [0,0,0,0,0,1|3,0,0]=4 929 B12R1.53 CCCCN(C)Cc1ncco1 2230a_100000207549_103436540062 [0,0,0,0,0,1|3,0,0]=4 930 B12R1.53 CCCCN(C)Cc1ncco1 269982a_100000207549_103436540062 [0,0,0,0,0,1|3,0,0]=4 931 B12R1.53 CCCCN(C)Cc1ncco1 270004a_100000207549_100000064290 [0,0,0,0,0,1|3,0,0]=4 932 B12R1.53 CCCCN([13CH3])Cc1ccco1 2230a_100015184542_200025704644 [0,0,0,0,0,1|2,0,0]=3 933 B12R1.53 CCCCN([13CH3])Cc1ccco1 269982a_100015184542_200025704644 [0,0,0,0,0,1|2,0,0]=3 934 B12R1.53 CCCCN([13CH3])Cc1cccs1 2230a_200000200673_200025704644 [0,0,0,0,0,1|2,1,0]=4 935 B12R1.53 CCCCN([13CH3])Cc1cccs1 269982a_200000200673_200025704644 [0,0,0,0,0,1|2,1,0]=4 936 B12R1.53 CCCNC(=O)Cc1c[nH]cn1 240690a_100020643023_100015291406 [0,0,0,0,0,1|3,0,0]=4 937 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 11a_100020643023_100000238377 [0,0,0,0,0,1|2,0,0]=3 938 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 240690a_100020643023_100000238377 [0,0,0,0,0,1|2,0,0]=3 939 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 527a_100020643023_100000238377 [0,0,0,0,0,1|2,0,0]=3 940 B12R1.53 CCCNC(=O)Cc1ccco1 11a_100020643023_100011217309 [0,0,0,0,0,1|1,0,0]=2 941 B12R1.53 CCCNC(=O)Cc1ccco1 527a_100020643023_100011217309 [0,0,0,0,0,1|1,0,0]=2 942 B12R1.53 CCCNC(=O)Cc1cccs1 11a_100020643023_100000210189 [0,0,0,0,0,1|1,1,0]=3 943 B12R1.53 CCCNC(=O)Cc1cccs1 1626a_100020643023_100000210189 [0,0,0,0,0,1|1,1,0]=3 944 B12R1.53 CCCNC(=O)Cc1cccs1 240690a_100020643023_100000210189 [0,0,0,0,0,1|1,1,0]=3 945 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 11a_100020643023_100000752941 [0,0,0,0,0,1|3,0,0]=4 946 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 1626a_100020643023_100000752941 [0,0,0,0,0,1|3,0,0]=4 947 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 240690a_100020643023_100000752941 [0,0,0,0,0,1|3,0,0]=4 948 B12R1.53 CCCNC(=O)Cc1ccn[nH]1 527a_100020643023_100000752941 [0,0,0,0,0,1|3,0,0]=4 949 B12R1.53 CCCNC(=O)Cc1ccoc1 11a_100020643023_100000684892 [0,0,0,0,0,1|3,0,0]=4 950 B12R1.53 CCCNC(=O)Cc1ccoc1 1626a_100020643023_100000684892 [0,0,0,0,0,1|3,0,0]=4 951 B12R1.53 CCCNC(=O)Cc1ccoc1 240690a_100020643023_100000684892 [0,0,0,0,0,1|3,0,0]=4 952 B12R1.53 CCCNC(=O)Cc1ccoc1 527a_100020643023_100000684892 [0,0,0,0,0,1|3,0,0]=4 953 B12R1.53 CCCNC(=O)Cc1ccsc1 11a_100020643023_100000184062 [0,0,0,0,0,1|3,0,0]=4 954 B12R1.53 CCCNC(=O)Cc1ccsc1 1626a_100020643023_100000184062 [0,0,0,0,0,1|3,0,0]=4 955 B12R1.53 CCCNC(=O)Cc1ccsc1 240690a_100020643023_100000184062 [0,0,0,0,0,1|3,0,0]=4 956 B12R1.53 CCCNC(=O)Cc1ccsc1 527a_100020643023_100000184062 [0,0,0,0,0,1|3,0,0]=4 957 B12R1.53 CCCNC(=O)Cc1cscn1 11a_100020643023_100011438297 [0,0,0,0,0,1|3,0,0]=4 958 B12R1.53 CCCNC(=O)Cc1cscn1 1626a_100020643023_100011438297 [0,0,0,0,0,1|3,0,0]=4 959 B12R1.53 CCCNC(=O)Cc1cscn1 240690a_100020643023_100011438297 [0,0,0,0,0,1|3,0,0]=4 960 B12R1.53 CCCNC(=O)Cc1cscn1 527a_100020643023_100011438297 [0,0,0,0,0,1|3,0,0]=4 961 B12R1.53 CCCNC(=O)Cn1cccc1 11a_100020643023_100011196272 [0,0,0,0,0,1|3,0,0]=4 962 B12R1.53 CCCNC(=O)Cn1cccc1 1626a_100020643023_100011196272 [0,0,0,0,0,1|3,0,0]=4 963 B12R1.53 CCCNC(=O)Cn1cccc1 527a_100020643023_100011196272 [0,0,0,0,0,1|3,0,0]=4 964 B12R1.53 CCCNC(=O)Cn1cccn1 11a_100020643023_100000233772 [0,0,0,0,0,1|3,0,0]=4 965 B12R1.53 CCCNC(=O)Cn1cccn1 1626a_100020643023_100000233772 [0,0,0,0,0,1|3,0,0]=4 966 B12R1.53 CCCNC(=O)Cn1cccn1 240690a_100020643023_100000233772 [0,0,0,0,0,1|3,0,0]=4 967 B12R1.53 CCCNC(=O)Cn1cccn1 527a_100020643023_100000233772 [0,0,0,0,0,1|3,0,0]=4 968 B12R1.53 CCCNC(C)Cc1ccco1 270004a_100020643023_100011216958 [0,0,0,0,0,1|2,0,1]=4 969 B12R1.53 CCCOC(C)Cc1ccco1 34a_100011803939_100000210303 [0,0,0,0,0,1|2,0,1]=4 970 B12R1.53 CCCOC(C)Cc1ccco1 7a_100011803939_100000210303 [0,0,0,0,0,1|2,0,1]=4 971 B12R1.53 CCNCC(=O)Nc1ccon1 2230a_100015525214_100000239699 [0,0,0,0,0,1|3,0,0]=4 972 B12R1.53 CCNCC(=O)Nc1nccs1 2230a_100015525214_100000183294 [0,0,0,0,0,1|2,1,0]=4 973 B12R1.53 CCNNC(=O)Cc1ccc[nH]1 22a_100000756455_100000238377 [0,0,0,0,0,1|3,0,0]=4 974 B12R1.53 CCNNC(=O)Cc1ccco1 22a_100000756455_100011217309 [0,0,0,0,0,1|2,0,0]=3 975 B12R1.53 CCNNC(=O)Cc1cccs1 22a_100000756455_100000210189 [0,0,0,0,0,1|2,1,0]=4 976 B12R1.53 CCOCC(=O)Cc1c[nH]cn1 1458a_100000211967_100000707719 [0,0,0,0,0,1|3,0,0]=4 977 B12R1.53 CCOCC(=O)Cc1ccn[nH]1 1458a_100000211967_100000728653 [0,0,0,0,0,1|3,0,0]=4 978 B12R1.53 CCOCC(=O)Cc1ccon1 1458a_100000211967_100000234950 [0,0,0,0,0,1|3,0,0]=4 979 B12R1.53 CCOCC(=O)Cc1ccsc1 1458a_100000211967_100011233845 [0,0,0,0,0,1|3,0,0]=4 980 B12R1.53 CCOCC(=O)Cc1cncs1 1458a_100000211967_100015185245 [0,0,0,0,0,1|2,1,0]=4 981 B12R1.53 CCOCC(=O)Cc1cscn1 1458a_100000211967_100000205941 [0,0,0,0,0,1|3,0,0]=4 982 B12R1.53 CCOCC(=O)Cc1ncco1 1458a_100000211967_103436540062 [0,0,0,0,0,1|2,0,0]=3 983 B12R1.53 CCOCC(=O)Cc1nccs1 1458a_100000211967_100015184050 [0,0,0,0,0,1|2,1,0]=4 984 B12R1.53 CCOCN(C)Cc1ccco1 269982a_100000185268_100000739092 [0,0,0,0,0,1|3,0,0]=4 985 B12R1.53 CCSCC(=O)Cc1c[nH]cn1 1458a_100000230394_100000707719 [0,0,0,0,0,1|3,0,0]=4 986 B12R1.53 CCSCC(=O)Cc1ccn[nH]1 1458a_100000230394_100000728653 [0,0,0,0,0,1|3,0,0]=4 987 B12R1.53 CCSCC(=O)Cc1ccon1 1458a_100000230394_100000234950 [0,0,0,0,0,1|3,0,0]=4 988 B12R1.53 CCSCC(=O)Cc1ccsc1 1458a_100000230394_100011233845 [0,0,0,0,0,1|3,0,0]=4 989 B12R1.53 CCSCC(=O)Cc1cncs1 1458a_100000230394_100015185245 [0,0,0,0,0,1|2,1,0]=4 990 B12R1.53 CCSCC(=O)Cc1cscn1 1458a_100000230394_100000205941 [0,0,0,0,0,1|3,0,0]=4 991 B12R1.53 CCSCC(=O)Cc1ncco1 1458a_100000230394_103436540062 [0,0,0,0,0,1|2,0,0]=3 992 B12R1.53 CCSCC(=O)Cc1nccs1 1458a_100000230394_100015184050 [0,0,0,0,0,1|2,1,0]=4 993 B12R1.53 CCSCC(=O)Nc1ccon1 62a_100000210202_100000239699 [0,0,0,0,0,1|3,0,0]=4 994 B12R1.53 CCSCC(=O)Nc1ccon1 62a_100000239699_100000210202 [0,0,0,0,0,1|3,0,0]=4 995 B12R1.53 CCSCC(=O)Nc1nccs1 62a_100000183294_100000210202 [0,0,0,0,0,1|2,1,0]=4 996 B12R1.53 CCSCC(=O)Nc1nccs1 62a_100000210202_100000183294 [0,0,0,0,0,1|2,1,0]=4 997 B12R1.53 CN(CCCF)Cc1ccco1 2230a_100000185268_100011934791 [0,0,0,0,0,1|3,0,0]=4 998 B12R1.53 CN(CCCF)Cc1ccco1 269982a_100000185268_100011934791 [0,0,0,0,0,1|3,0,0]=4 999 B12R1.53 CN(CCCO)Cc1ccco1 2230a_100000185268_100000230001 [0,0,0,0,0,1|3,0,0]=4 1000 B12R1.53 CN(CCCO)Cc1ccco1 269982a_100000185268_100011215043 [0,0,0,0,0,1|3,0,0]=4 1001 B12R1.53 CN(CCCO)Cc1ccco1 270004a_100000213112_100000186105 [0,0,0,0,0,1|3,0,0]=4 1002 B12R1.53 CNCCC(=O)Nc1nccs1 2230a_106832991635_200011194430 [0,0,0,0,0,1|2,1,0]=4 1003 B12R1.53 CNCCC(=O)Nc1nccs1 7a_106832991635_200011194430 [0,0,0,0,0,1|2,1,0]=4 1004 B12R1.53 COCCC(=O)Cc1c[nH]cn1 1458a_100000749529_100000707719 [0,0,0,0,0,1|3,0,0]=4 1005 B12R1.53 COCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000233755 [0,0,0,0,0,1|3,0,0]=4 1006 B12R1.53 COCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000233755 [0,0,0,0,0,1|2,0,0]=3 1007 B12R1.53 COCCC(=O)Cc1ccco1 1458a_100011217309_100000233755 [0,0,0,0,0,1|1,0,0]=2 1008 B12R1.53 COCCC(=O)Cc1cccs1 1458a_100000210189_100000233755 [0,0,0,0,0,1|1,1,0]=3 1009 B12R1.53 COCCC(=O)Cc1ccn[nH]1 1458a_100000749529_100000728653 [0,0,0,0,0,1|3,0,0]=4 1010 B12R1.53 COCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000233755 [0,0,0,0,0,1|3,0,0]=4 1011 B12R1.53 COCCC(=O)Cc1ccoc1 1458a_100000684892_100000233755 [0,0,0,0,0,1|3,0,0]=4 1012 B12R1.53 COCCC(=O)Cc1ccon1 1458a_100000749529_100000234950 [0,0,0,0,0,1|3,0,0]=4 1013 B12R1.53 COCCC(=O)Cc1ccsc1 1458a_100000184062_100000233755 [0,0,0,0,0,1|3,0,0]=4 1014 B12R1.53 COCCC(=O)Cc1ccsc1 1458a_100000749529_100011233845 [0,0,0,0,0,1|3,0,0]=4 1015 B12R1.53 COCCC(=O)Cc1cncs1 1458a_100000749529_100015185245 [0,0,0,0,0,1|2,1,0]=4 1016 B12R1.53 COCCC(=O)Cc1cscn1 1458a_100000749529_100000205941 [0,0,0,0,0,1|3,0,0]=4 1017 B12R1.53 COCCC(=O)Cc1cscn1 1458a_100011438297_100000233755 [0,0,0,0,0,1|3,0,0]=4 1018 B12R1.53 COCCC(=O)Cc1ncco1 1458a_100000749529_103436540062 [0,0,0,0,0,1|2,0,0]=3 1019 B12R1.53 COCCC(=O)Cc1nccs1 1458a_100000749529_100015184050 [0,0,0,0,0,1|2,1,0]=4 1020 B12R1.53 COCCC(=O)Cn1cccc1 1458a_100011196272_100000233755 [0,0,0,0,0,1|3,0,0]=4 1021 B12R1.53 COCCC(=O)Cn1cccn1 1458a_100000233772_100000233755 [0,0,0,0,0,1|3,0,0]=4 1022 B12R1.53 COCCN(C)Cc1ccco1 2230a_100000185268_100011201679 [0,0,0,0,0,1|3,0,0]=4 1023 B12R1.53 COCCN(C)Cc1ccco1 2230a_100000200132_200000210301 [0,0,0,0,0,1|3,0,0]=4 1024 B12R1.53 COCCN(C)Cc1ccco1 269982a_100000185268_100000233755 [0,0,0,0,0,1|3,0,0]=4 1025 B12R1.53 COCCN(C)Cc1ccco1 269982a_100000200132_200000210301 [0,0,0,0,0,1|3,0,0]=4 1026 B12R1.53 COCCN(C)Cc1ccco1 270004a_100000743101_100000186105 [0,0,0,0,0,1|3,0,0]=4 1027 B12R1.53 COCCN([13CH3])Cc1ccco1 2230a_100000200132_200025704644 [0,0,0,0,0,1|3,0,0]=4 1028 B12R1.53 COCCN([13CH3])Cc1ccco1 269982a_100000200132_200025704644 [0,0,0,0,0,1|3,0,0]=4 1029 B12R1.53 CSCCC(=O)Cc1c[nH]cn1 1458a_100000174002_100000707719 [0,0,0,0,0,1|3,0,0]=4 1030 B12R1.53 CSCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000751147 [0,0,0,0,0,1|3,0,0]=4 1031 B12R1.53 CSCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000751147 [0,0,0,0,0,1|2,0,0]=3 1032 B12R1.53 CSCCC(=O)Cc1ccco1 1458a_100011217309_100000751147 [0,0,0,0,0,1|1,0,0]=2 1033 B12R1.53 CSCCC(=O)Cc1cccs1 1458a_100000210189_100000751147 [0,0,0,0,0,1|1,1,0]=3 1034 B12R1.53 CSCCC(=O)Cc1ccn[nH]1 1458a_100000174002_100000728653 [0,0,0,0,0,1|3,0,0]=4 1035 B12R1.53 CSCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000751147 [0,0,0,0,0,1|3,0,0]=4 1036 B12R1.53 CSCCC(=O)Cc1ccoc1 1458a_100000684892_100000751147 [0,0,0,0,0,1|3,0,0]=4 1037 B12R1.53 CSCCC(=O)Cc1ccon1 1458a_100000174002_100000234950 [0,0,0,0,0,1|3,0,0]=4 1038 B12R1.53 CSCCC(=O)Cc1ccsc1 1458a_100000174002_100011233845 [0,0,0,0,0,1|3,0,0]=4 1039 B12R1.53 CSCCC(=O)Cc1ccsc1 1458a_100000184062_100000751147 [0,0,0,0,0,1|3,0,0]=4 1040 B12R1.53 CSCCC(=O)Cc1cncs1 1458a_100000174002_100015185245 [0,0,0,0,0,1|2,1,0]=4 1041 B12R1.53 CSCCC(=O)Cc1cscn1 1458a_100000174002_100000205941 [0,0,0,0,0,1|3,0,0]=4 1042 B12R1.53 CSCCC(=O)Cc1cscn1 1458a_100011438297_100000751147 [0,0,0,0,0,1|3,0,0]=4 1043 B12R1.53 CSCCC(=O)Cc1ncco1 1458a_100000174002_103436540062 [0,0,0,0,0,1|2,0,0]=3 1044 B12R1.53 CSCCC(=O)Cc1nccs1 1458a_100000174002_100015184050 [0,0,0,0,0,1|2,1,0]=4 1045 B12R1.53 CSCCC(=O)Cn1cccc1 1458a_100011196272_100000751147 [0,0,0,0,0,1|3,0,0]=4 1046 B12R1.53 CSCCC(=O)Cn1cccn1 1458a_100000233772_100000751147 [0,0,0,0,0,1|3,0,0]=4 1047 B12R1.53 CSCCC(=O)Nc1nccs1 62a_200000210301_200011194430 [0,0,0,0,0,1|2,1,0]=4 1048 B12R1.53 CSCCN(C)Cc1ccco1 2230a_100000185268_100000751147 [0,0,0,0,0,1|3,0,0]=4 1049 B12R1.53 CSCCN(C)Cc1ccco1 269982a_100000185268_100000212216 [0,0,0,0,0,1|3,0,0]=4 1050 B12R1.53 CSCCN(C)Cc1ccco1 270004a_100000686725_100000186105 [0,0,0,0,0,1|3,0,0]=4 1051 B12R1.53 N#CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011215226 [0,0,0,0,0,1|2,0,1]=4 1052 B12R1.53 N#CCCC(=O)Cc1ccco1 1458a_100011217309_100011215226 [0,0,0,0,0,1|1,0,1]=3 1053 B12R1.53 N#CCCC(=O)Cc1cccs1 1458a_100000210189_100011215226 [0,0,0,0,0,1|1,1,1]=4 1054 B12R1.53 N#CCCC(=O)Cc1ncco1 1458a_100011934036_103436540062 [0,0,0,0,0,1|2,0,1]=4 1055 B12R1.53 N#CCNC(=O)Cc1ccco1 527a_100000734998_100011217309 [0,0,0,0,0,1|2,0,1]=4 1056 B12R1.53 O=C(CCCF)Cc1c[nH]cn1 1458a_100015291406_100011934791 [0,0,0,0,0,1|3,0,0]=4 1057 B12R1.53 O=C(CCCF)Cc1ccc[nH]1 1458a_100000238377_100011934791 [0,0,0,0,0,1|2,0,0]=3 1058 B12R1.53 O=C(CCCF)Cc1ccco1 1458a_100011217309_100011934791 [0,0,0,0,0,1|1,0,0]=2 1059 B12R1.53 O=C(CCCF)Cc1cccs1 1458a_100000210189_100011934791 [0,0,0,0,0,1|1,1,0]=3 1060 B12R1.53 O=C(CCCF)Cc1ccn[nH]1 1458a_100000752941_100011934791 [0,0,0,0,0,1|3,0,0]=4 1061 B12R1.53 O=C(CCCF)Cc1ccoc1 1458a_100000684892_100011934791 [0,0,0,0,0,1|3,0,0]=4 1062 B12R1.53 O=C(CCCF)Cc1ccsc1 1458a_100000184062_100011934791 [0,0,0,0,0,1|3,0,0]=4 1063 B12R1.53 O=C(CCCF)Cc1cscn1 1458a_100011438297_100011934791 [0,0,0,0,0,1|3,0,0]=4 1064 B12R1.53 O=C(CCCF)Cn1cccc1 1458a_100011196272_100011934791 [0,0,0,0,0,1|3,0,0]=4 1065 B12R1.53 O=C(CCCF)Cn1cccn1 1458a_100000233772_100011934791 [0,0,0,0,0,1|3,0,0]=4 1066 B12R1.53 O=C(CCCO)Cc1c[nH]cn1 1458a_100015291406_100011215043 [0,0,0,0,0,1|3,0,0]=4 1067 B12R1.53 O=C(CCCO)Cc1ccc[nH]1 1458a_100000238377_100011215043 [0,0,0,0,0,1|2,0,0]=3 1068 B12R1.53 O=C(CCCO)Cc1ccco1 1458a_100011217309_100011215043 [0,0,0,0,0,1|1,0,0]=2 1069 B12R1.53 O=C(CCCO)Cc1cccs1 1458a_100000210189_100011215043 [0,0,0,0,0,1|1,1,0]=3 1070 B12R1.53 O=C(CCCO)Cc1ccn[nH]1 1458a_100000752941_100011215043 [0,0,0,0,0,1|3,0,0]=4 1071 B12R1.53 O=C(CCCO)Cc1ccoc1 1458a_100000684892_100011215043 [0,0,0,0,0,1|3,0,0]=4 1072 B12R1.53 O=C(CCCO)Cc1ccsc1 1458a_100000184062_100011215043 [0,0,0,0,0,1|3,0,0]=4 1073 B12R1.53 O=C(CCCO)Cc1cscn1 1458a_100011438297_100011215043 [0,0,0,0,0,1|3,0,0]=4 1074 B12R1.53 O=C(CCCO)Cn1cccc1 1458a_100011196272_100011215043 [0,0,0,0,0,1|3,0,0]=4 1075 B12R1.53 O=C(CCCO)Cn1cccn1 1458a_100000233772_100011215043 [0,0,0,0,0,1|3,0,0]=4 1076 B12R1.53 O=C(Cc1ccc[nH]1)NCCF 11a_100000724931_100000238377 [0,0,0,0,0,1|3,0,0]=4 1077 B12R1.53 O=C(Cc1ccc[nH]1)NCCF 240690a_100000724931_100000238377 [0,0,0,0,0,1|3,0,0]=4 1078 B12R1.53 O=C(Cc1ccc[nH]1)NCCF 527a_100000724931_100000238377 [0,0,0,0,0,1|3,0,0]=4 1079 B12R1.53 O=C(Cc1ccc[nH]1)NCCO 240690a_100000210304_100000238377 [0,0,0,0,0,1|3,0,0]=4 1080 B12R1.53 O=C(Cc1ccc[nH]1)NCCO 527a_100000210304_100000238377 [0,0,0,0,0,1|3,0,0]=4 1081 B12R1.53 O=C(Cc1ccco1)NCCF 11a_100000724931_100011217309 [0,0,0,0,0,1|2,0,0]=3 1082 B12R1.53 O=C(Cc1ccco1)NCCF 527a_100000724931_100011217309 [0,0,0,0,0,1|2,0,0]=3 1083 B12R1.53 O=C(Cc1ccco1)NCCO 527a_100000210304_100011217309 [0,0,0,0,0,1|2,0,0]=3 1084 B12R1.53 O=C(Cc1cccs1)NCCF 11a_100000724931_100000210189 [0,0,0,0,0,1|2,1,0]=4 1085 B12R1.53 O=C(Cc1cccs1)NCCF 1626a_100000724931_100000210189 [0,0,0,0,0,1|2,1,0]=4 1086 B12R1.53 O=C(Cc1cccs1)NCCF 240690a_100000724931_100000210189 [0,0,0,0,0,1|2,1,0]=4 1087 B12R1.53 O=C(Cc1cccs1)NCCO 240690a_100000210304_100000210189 [0,0,0,0,0,1|2,1,0]=4 1088 B12R1.53 [13CH3]SCCC(=O)Nc1nccs1 62a_200025704644_200011194430 [0,0,0,0,0,1|2,1,0]=4 1089 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [1,0,1,0,0,0|1,0,0]=3 1090 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [1,0,1,0,0,0|2,0,0]=4 1091 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [1,0,1,0,0,0|2,0,0]=4 1092 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [1,0,1,0,0,0|2,0,0]=4 1093 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [1,0,1,0,0,0|2,0,0]=4 1094 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [1,0,1,0,0,0|0,0,2]=4 1095 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [1,0,1,0,0,0|0,0,2]=4 1096 B9R0.18 C#CCCC(=O)C=CC=C 1458a_100016291481_100000753159 [1,0,1,0,0,0|0,0,2]=4 1097 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,0,1,0,0,0|0,0,2]=4 1098 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [1,0,1,0,0,0|0,0,2]=4 1099 B9R0.18 C=CC=CC(=O)CC#CC 1458a_100016291481_100000748600 [1,0,1,0,0,0|0,0,2]=4 1100 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [1,0,1,0,0,0|0,0,2]=4 1101 B9R0.18 C=CC=CC(=O)CCC#N 1458a_100016291481_100011215226 [1,0,1,0,0,0|1,0,1]=4 1102 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [1,0,1,0,0,0|0,0,2]=4 1103 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,1,0,0,0|0,0,0]=2 1104 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [1,0,1,0,0,0|1,0,0]=3 1105 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [1,0,1,0,0,0|1,0,0]=3 1106 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,0,1,0,0,0|1,0,0]=3 1107 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [1,0,1,0,0,0|1,0,0]=3 1108 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [1,0,1,0,0,0|1,0,0]=3 1109 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [1,0,1,0,0,0|2,0,0]=4 1110 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [1,0,1,0,0,0|2,0,0]=4 1111 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,0,1,0,0,0|0,0,2]=4 1112 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,0,1,0,0,0|0,0,2]=4 1113 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [1,0,1,0,0,0|1,0,1]=4 1114 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [1,0,1,0,0,0|1,0,1]=4 1115 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [1,0,1,0,0,0|1,0,1]=4 1116 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [1,0,1,0,0,0|1,0,1]=4 1117 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [1,0,1,0,0,0|1,0,1]=4 1118 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [1,0,1,0,0,0|1,0,1]=4 1119 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [1,0,1,0,0,0|1,0,1]=4 1120 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,0,1,0,0,0|0,0,2]=4 1121 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,0,1,0,0,0|0,0,2]=4 1122 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,0,1,0,0,0|0,0,2]=4 1123 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,0,1,0,0,0|1,0,1]=4 1124 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [2,0,0,0,0,0|2,0,0]=4 1125 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [2,0,0,0,0,0|2,0,0]=4 1126 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [2,0,0,0,0,0|0,0,0]=2 1127 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [2,0,0,0,0,0|0,1,0]=3 1128 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [2,0,0,0,0,0|2,0,0]=4 1129 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [2,0,0,0,0,0|2,0,0]=4 1130 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [2,0,0,0,0,0|2,0,0]=4 1131 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [2,0,0,0,0,0|1,0,0]=3 1132 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [2,0,0,0,0,0|1,1,0]=4 1133 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [2,0,0,0,0,0|2,0,0]=4 1134 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [2,0,0,0,0,0|2,0,0]=4 1135 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [2,0,0,0,0,0|1,0,0]=3 1136 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [2,0,0,0,0,0|1,1,0]=4 1137 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [2,0,0,0,0,0|1,0,0]=3 1138 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [2,0,0,0,0,0|1,0,0]=3 1139 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [2,0,0,0,0,0|1,1,0]=4 1140 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [2,0,0,0,0,0|1,1,0]=4 1141 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [2,0,0,0,0,0|2,0,0]=4 1142 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [2,0,0,0,0,0|2,0,0]=4 1143 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [2,0,0,0,0,0|2,0,0]=4 1144 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [2,0,0,0,0,0|2,0,0]=4 1145 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [2,0,0,0,0,0|1,0,0]=3 1146 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [2,0,0,0,0,0|1,0,0]=3 1147 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [2,0,0,0,0,0|1,0,0]=3 1148 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [2,0,0,0,0,0|1,0,0]=3 1149 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [2,0,0,0,0,0|1,1,0]=4 1150 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [2,0,0,0,0,0|1,1,0]=4 1151 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [2,0,0,0,0,0|1,1,0]=4 1152 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [2,0,0,0,0,0|2,0,0]=4 1153 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [2,0,0,0,0,0|2,0,0]=4 1154 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [2,0,0,0,0,0|2,0,0]=4 1155 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [2,0,0,0,0,0|2,0,0]=4 1156 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [2,0,0,0,0,0|1,0,0]=3 1157 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [2,0,0,0,0,0|1,1,0]=4 1158 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [2,0,0,0,0,0|2,0,0]=4 1159 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [2,0,0,0,0,0|2,0,0]=4 1160 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [2,0,0,0,0,0|2,0,0]=4 1161 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [2,0,0,0,0,0|2,0,0]=4 1162 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [2,0,0,0,0,0|2,0,0]=4 1163 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [2,0,0,0,0,0|1,0,0]=3 1164 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [2,0,0,0,0,0|1,0,0]=3 1165 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [2,0,0,0,0,0|1,1,0]=4 1166 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [2,0,0,0,0,0|1,1,0]=4 1167 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [2,0,0,0,0,0|1,1,0]=4 1168 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [2,0,0,0,0,0|1,1,0]=4 1169 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [2,0,0,0,0,0|1,1,0]=4 1170 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [2,0,0,0,0,0|1,1,0]=4 1171 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [2,0,0,0,0,0|1,1,0]=4 1172 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [2,0,0,0,0,0|1,1,0]=4 1173 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [2,0,0,0,0,0|2,0,0]=4 1174 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [2,0,0,0,0,0|2,0,0]=4 1175 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [2,0,0,0,0,0|1,1,0]=4 1176 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [2,0,0,0,0,0|1,1,0]=4 1177 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [2,0,0,0,0,0|2,0,0]=4 1178 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [2,0,0,0,0,0|2,0,0]=4 1179 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [2,0,0,0,0,0|2,0,0]=4 1180 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [2,0,0,0,0,0|2,0,0]=4 1181 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [2,0,0,0,0,0|2,0,0]=4 1182 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [2,0,0,0,0,0|2,0,0]=4 1183 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [2,0,0,0,0,0|2,0,0]=4 1184 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [2,0,0,0,0,0|2,0,0]=4 1185 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [2,0,0,0,0,0|1,0,0]=3 1186 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [2,0,0,0,0,0|1,0,0]=3 1187 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [2,0,0,0,0,0|1,1,0]=4 1188 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [2,0,0,0,0,0|1,1,0]=4 1189 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [2,0,0,0,0,0|1,1,0]=4 1190 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [2,0,0,0,0,0|1,1,0]=4 1191 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [2,0,0,0,0,0|1,1,0]=4 1192 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [2,0,0,0,0,0|1,1,0]=4 1193 B11R0.46 C/C=C/C=CC(=O)CCC(C)C 1458a_100000185730_100000210312 [0,1,1,0,0,0|1,0,0]=3 1194 B11R0.46 C/C=C/C=CC(=O)CCC(C)O 1458a_100000185730_100012276601 [0,1,1,0,0,0|1,0,0]=3 1195 B11R0.46 C/C=C/C=CC(=O)NCC(C)C 11a_100000210953_100000185730 [0,1,1,0,0,0|2,0,0]=4 1196 B11R0.46 C/C=C/C=CC(=O)NCC(C)C 1626a_100000210953_100000185730 [0,1,1,0,0,0|2,0,0]=4 1197 B11R0.46 C/C=C/C=CC(=O)NCC(C)C 240690a_100000210953_100000185730 [0,1,1,0,0,0|2,0,0]=4 1198 B11R0.46 C/C=C/C=CC(=O)NCC(C)O 11a_100000210904_100000185730 [0,1,1,0,0,0|2,0,0]=4 1199 B11R0.46 C/C=C/C=CC(=O)NCC(C)O 240690a_100000210904_100000185730 [0,1,1,0,0,0|2,0,0]=4 1200 B11R0.46 C=C(C)CCC(=O)C=C/C=C/C 1458a_100000185730_100000730704 [0,1,1,0,0,0|1,0,1]=4 1201 B11R0.70 C=CC(=NNC(=O)CCCC)C 4a_100000189769_200015361842 [0,1,1,0,0,0|2,0,0]=4 1202 B11R0.70 C=CC(=O)NCC(=O)CCCC 1458a_200011222540_100000210211 [0,1,1,0,0,0|1,0,1]=4 1203 B11R0.70 C=CC(=O)NNC(=O)CCCC 22a_100000189769_100000185746 [0,1,1,0,0,0|2,0,0]=4 1204 B11R0.70 CC=C(C)C=CC(=O)CCCC 1458a_100000692105_100000210211 [0,1,1,0,0,0|1,0,0]=3 1205 B11R0.70 CC=C(C)C=CC(=O)CCCF 1458a_100000692105_100011934791 [0,1,1,0,0,0|2,0,0]=4 1206 B11R0.70 CC=C(C)C=CC(=O)CCCO 1458a_100000692105_100011215043 [0,1,1,0,0,0|2,0,0]=4 1207 B11R0.70 CC=C(C)C=CC(=O)CCOC 1458a_100000692105_100000233755 [0,1,1,0,0,0|2,0,0]=4 1208 B11R0.70 CC=C(C)C=CC(=O)CCSC 1458a_100000692105_100000751147 [0,1,1,0,0,0|2,0,0]=4 1209 B11R0.70 CC=C(C)C=CC(=O)NCCC 1626a_100020643023_100000692105 [0,1,1,0,0,0|2,0,0]=4 1210 B11R0.70 CCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210211 [0,1,1,0,0,0|2,0,0]=4 1211 B11R0.81 C=CCOCCC(=O)CCCC 1458a_200011217002_100000210211 [0,1,1,0,0,0|0,0,2]=4 1212 B11R0.140 C#CCCCC(=O)C=C/C=C/C 1458a_100000185730_100000731252 [0,1,1,0,0,0|1,0,1]=4 1213 B11R0.140 C/C=C/C=CC(=O)C/C=C\CC 1458a_100000185730_100103147603 [0,1,1,0,0,0|1,0,1]=4 1214 B11R0.140 C/C=C/C=CC(=O)CC#CCC 1458a_100000185730_100009813939 [0,1,1,0,0,0|1,0,1]=4 1215 B11R0.140 C/C=C/C=CC(=O)CCCC#N 1458a_100000185730_100000211468 [0,1,1,0,0,0|1,0,1]=4 1216 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,1,1,0,0,0|1,0,0]=3 1217 B11R0.140 C/C=C/C=CC(=O)CCCCF 1458a_100000185730_100000729493 [0,1,1,0,0,0|1,0,0]=3 1218 B11R0.140 C/C=C/C=CC(=O)CCCCO 1458a_100000185730_100000210776 [0,1,1,0,0,0|1,0,0]=3 1219 B11R0.140 C/C=C/C=CC(=O)CCCOC 1458a_100000185730_100000740836 [0,1,1,0,0,0|1,0,0]=3 1220 B11R0.140 C/C=C/C=CC(=O)CCOCC 1458a_100000185730_100011215890 [0,1,1,0,0,0|1,0,0]=3 1221 B11R0.140 C/C=C/C=CC(=O)CCSCC 1458a_100000185730_100000757381 [0,1,1,0,0,0|1,0,0]=3 1222 B11R0.140 C/C=C/C=CC(=O)NCCCC 11a_100000102301_100000185730 [0,1,1,0,0,0|1,0,0]=3 1223 B11R0.140 C/C=C/C=CC(=O)NCCCC 1626a_100000102301_100000185730 [0,1,1,0,0,0|1,0,0]=3 1224 B11R0.140 C/C=C/C=CC(=O)NCCCC 240690a_100000102301_100000185730 [0,1,1,0,0,0|1,0,0]=3 1225 B11R0.140 C/C=C/C=CC(=O)NCCCF 11a_100015189416_100000185730 [0,1,1,0,0,0|2,0,0]=4 1226 B11R0.140 C/C=C/C=CC(=O)NCCCF 1626a_100015189416_100000185730 [0,1,1,0,0,0|2,0,0]=4 1227 B11R0.140 C/C=C/C=CC(=O)NCCCF 240690a_100015189416_100000185730 [0,1,1,0,0,0|2,0,0]=4 1228 B11R0.140 C/C=C/C=CC(=O)NCCCO 240690a_100000182051_100000185730 [0,1,1,0,0,0|2,0,0]=4 1229 B11R0.140 C/C=C/C=CC(=O)NCCOC 1626a_100000209980_100000185730 [0,1,1,0,0,0|2,0,0]=4 1230 B11R0.140 C/C=C/C=CC(=O)NCCOC 240690a_100000209980_100000185730 [0,1,1,0,0,0|2,0,0]=4 1231 B11R0.140 C/C=C/C=CC(=O)NCCSC 11a_100020590264_100000185730 [0,1,1,0,0,0|2,0,0]=4 1232 B11R0.140 C/C=C/C=CC(=O)NCCSC 1626a_100020590264_100000185730 [0,1,1,0,0,0|2,0,0]=4 1233 B11R0.140 C/C=C/C=CC(=O)NCCSC 240690a_100020590264_100000185730 [0,1,1,0,0,0|2,0,0]=4 1234 B11R0.140 C/C=C/C=CC(=O)NNCCC 22a_100000740057_100000185730 [0,1,1,0,0,0|2,0,0]=4 1235 B11R0.140 C=CCCCC(=O)C=C/C=C/C 1458a_100000185730_100000757094 [0,1,1,0,0,0|1,0,1]=4 1236 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [0,1,1,0,0,0|0,0,2]=4 1237 B11R0.140 C=CCOCC(=O)NCCCC 34a_200000210373_100000182744 [0,1,1,0,0,0|0,0,2]=4 1238 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [0,1,1,0,0,0|0,0,2]=4 1239 B11R0.147 C=C(C)C=NNC(=O)CCCC 4a_100000189769_100000210575 [0,1,1,0,0,0|2,0,0]=4 1240 B11R0.147 CCCCC(=O)C/C=C/B(O)O 1458a_100000210183_100016262062 [0,1,1,0,0,0|1,0,1]=4 1241 B11R0.154 C/C=C/C=CC(=O)CC(=O)CC 1458a_100000185730_100000747405 [0,1,1,0,0,0|1,0,1]=4 1242 B11R0.154 C/C=C/C=CC(=O)CC(C)CC 1458a_100000185730_100000748023 [0,1,1,0,0,0|1,0,0]=3 1243 B11R0.154 C/C=C/C=CC(=O)CC(O)CC 1458a_100000185730_100011218378 [0,1,1,0,0,0|1,0,0]=3 1244 B11R0.154 C/C=C/C=CC(=O)C[C@@H](C)CC 1458a_100000185730_100009816398 [0,1,1,0,0,0|1,0,0]=3 1245 B11R0.154 C/C=C/C=CC(=O)C[C@@H](C)CO 1458a_100000185730_100000059175 [0,1,1,0,0,0|2,0,0]=4 1246 B11R0.154 C/C=C/C=CC(=O)NC(C)CC 11a_100000209981_100000185730 [0,1,1,0,0,0|2,0,0]=4 1247 B11R0.154 C/C=C/C=CC(=O)NC(C)CC 1626a_100000209981_100000185730 [0,1,1,0,0,0|2,0,0]=4 1248 B11R0.154 C/C=C/C=CC(=O)NC(C)CC 240690a_100000209981_100000185730 [0,1,1,0,0,0|2,0,0]=4 1249 B11R1.2 CCCC(NC)c1ccco1 269862a_106832991636_200011535218 [1,1,0,0,0,0|1,0,1]=4 1250 B11R1.15 CCNC(=O)c1ccc(s1)O 271570a_203496583355_200000155171 [1,1,0,0,0,0|1,1,0]=4 1251 B11R1.15 CCOC(=O)c1cc(cs1)O 271570a_203496583355_100009815474 [1,1,0,0,0,0|1,1,0]=4 1252 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [1,1,0,0,0,0|2,0,0]=4 1253 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [1,1,0,0,0,0|1,0,0]=3 1254 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [1,1,0,0,0,0|1,1,0]=4 1255 B11R1.15 CCOC(=O)c1cnc(o1)O 271570a_203496583355_100010205802 [1,1,0,0,0,0|2,0,0]=4 1256 B11R1.15 CNCC(=O)c1ccc(s1)Br 2230a_106832991635_100000185163 [1,1,0,0,0,0|1,1,0]=4 1257 B11R1.15 CNCC(=O)c1ccc(s1)Br 7a_106832991635_100000185163 [1,1,0,0,0,0|1,1,0]=4 1258 B11R1.15 CNCC(=O)c1ccc(s1)C 2230a_106832991635_100011262362 [1,1,0,0,0,0|1,1,0]=4 1259 B11R1.15 CNCC(=O)c1ccc(s1)C 34a_100102657272_100011262362 [1,1,0,0,0,0|1,1,0]=4 1260 B11R1.15 CNCC(=O)c1ccc(s1)C 7a_106832991635_100011262362 [1,1,0,0,0,0|1,1,0]=4 1261 B11R1.15 CNCC(=O)c1ccc(s1)Cl 2230a_106832991635_100000185135 [1,1,0,0,0,0|1,1,0]=4 1262 B11R1.15 CNCC(=O)c1ccc(s1)Cl 7a_106832991635_100000185135 [1,1,0,0,0,0|1,1,0]=4 1263 B11R1.15 COCC(=O)c1ccc(s1)C 34a_100138415774_100011262362 [1,1,0,0,0,0|1,1,0]=4 1264 B11R1.15 CSCC(=O)c1ccc(s1)Br 62a_100000185163_200000210301 [1,1,0,0,0,0|1,1,0]=4 1265 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_100011262362_200000210301 [1,1,0,0,0,0|1,1,0]=4 1266 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_200000210301_100011262362 [1,1,0,0,0,0|1,1,0]=4 1267 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_100000185135_200000210301 [1,1,0,0,0,0|1,1,0]=4 1268 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_200000210301_100000185135 [1,1,0,0,0,0|1,1,0]=4 1269 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_100011262362_200025704644 [1,1,0,0,0,0|1,1,0]=4 1270 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_200025704644_100011262362 [1,1,0,0,0,0|1,1,0]=4 1271 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Br 62a_100000185163_200025704644 [1,1,0,0,0,0|1,1,0]=4 1272 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_100000185135_200025704644 [1,1,0,0,0,0|1,1,0]=4 1273 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_200025704644_100000185135 [1,1,0,0,0,0|1,1,0]=4 1274 B11R1.31 CC(S[13CH3])C(=O)c1cccs1 62a_100011262360_200025704644 [1,1,0,0,0,0|1,1,0]=4 1275 B11R1.31 CC(S[13CH3])C(=O)c1cccs1 62a_200025704644_100011262360 [1,1,0,0,0,0|1,1,0]=4 1276 B11R1.31 CNC(C)C(=O)c1cccs1 2230a_106832991635_100011262360 [1,1,0,0,0,0|1,1,0]=4 1277 B11R1.31 CNC(C)C(=O)c1cccs1 7a_106832991635_100011262360 [1,1,0,0,0,0|1,1,0]=4 1278 B11R1.31 CSC(C)C(=O)c1cccs1 62a_100011262360_200000210301 [1,1,0,0,0,0|1,1,0]=4 1279 B11R1.31 CSC(C)C(=O)c1cccs1 62a_200000210301_100011262360 [1,1,0,0,0,0|1,1,0]=4 1280 B11R1.33 CCNS(=O)(=O)c1ccco1 270084a_100015525214_200000702926 [1,1,0,0,0,0|2,0,0]=4 1281 B11R1.33 CCNS(=O)(=O)c1ccco1 274078a_100015525214_200000702926 [1,1,0,0,0,0|2,0,0]=4 1282 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [1,1,0,0,0,0|1,0,1]=4 1283 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [1,1,0,0,0,0|0,0,1]=3 1284 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [1,1,0,0,0,0|0,1,1]=4 1285 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [1,1,0,0,0,0|1,0,1]=4 1286 B11R1.77 CN(C)CC(=O)c1ccc[nH]1 269982a_100102631434_200011262396 [1,1,0,0,0,0|2,0,0]=4 1287 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [1,1,0,0,0,0|1,0,0]=3 1288 B11R1.77 CN(C)CC(=O)c1cccs1 2230a_100102631434_100000211436 [1,1,0,0,0,0|1,1,0]=4 1289 B11R1.77 CN(C)CC(=O)c1cccs1 269982a_100102631434_100000211436 [1,1,0,0,0,0|1,1,0]=4 1290 B11R1.199 CCOC(=O)c1ocnc1O 271570a_203496583355_100010260153 [1,1,0,0,0,0|2,0,0]=4 1291 B11R1.199 CNCC(=O)c1cccn1C 2230a_106832991635_200011262399 [1,1,0,0,0,0|2,0,0]=4 1292 B11R1.199 CNCC(=O)c1cccn1C 34a_100102657272_200011262399 [1,1,0,0,0,0|2,0,0]=4 1293 B11R1.199 CNCC(=O)c1cccn1C 7a_106832991635_200011262399 [1,1,0,0,0,0|2,0,0]=4 1294 B11R1.199 CNCC(=O)c1sccc1Br 2230a_106832991635_100000740827 [1,1,0,0,0,0|1,1,0]=4 1295 B11R1.199 CNCC(=O)c1sccc1Br 34a_100102657272_100000740827 [1,1,0,0,0,0|1,1,0]=4 1296 B11R1.199 CNCC(=O)c1sccc1Br 7a_106832991635_100000740827 [1,1,0,0,0,0|1,1,0]=4 1297 B11R1.199 COCC(=O)c1cccn1C 34a_100138415774_200011262399 [1,1,0,0,0,0|2,0,0]=4 1298 B11R1.199 COCC(=O)c1sccc1Br 34a_100138415774_100000740827 [1,1,0,0,0,0|1,1,0]=4 1299 B11R1.199 CSCC(=O)c1cccn1C 62a_200000210301_200011262399 [1,1,0,0,0,0|2,0,0]=4 1300 B11R1.199 CSCC(=O)c1cccn1C 62a_200011262399_200000210301 [1,1,0,0,0,0|2,0,0]=4 1301 B11R1.199 CSCC(=O)c1sccc1Br 62a_100000740827_200000210301 [1,1,0,0,0,0|1,1,0]=4 1302 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200011262399_200025704644 [1,1,0,0,0,0|2,0,0]=4 1303 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200025704644_200011262399 [1,1,0,0,0,0|2,0,0]=4 1304 B11R1.199 [13CH3]SCC(=O)c1sccc1Br 62a_100000740827_200025704644 [1,1,0,0,0,0|1,1,0]=4 1305 B11R1.4 C#CCCCSc1ccco1 62a_100009814098_100011215417 [1,1,0,0,0,0|1,0,1]=4 1306 B11R1.4 C#CCCCSc1ccco1 62a_100011215417_100009814098 [1,1,0,0,0,0|1,0,1]=4 1307 B11R1.4 C=CCCCSc1ccco1 62a_100009814098_100000757094 [1,1,0,0,0,0|1,0,1]=4 1308 B11R1.4 C=CCCCSc1ccco1 62a_100011713584_100009814098 [1,1,0,0,0,0|1,0,1]=4 1309 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [1,1,0,0,0,0|1,0,1]=4 1310 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [1,1,0,0,0,0|1,0,1]=4 1311 B11R1.4 CCC#CCSc1ccco1 62a_100009813939_100009814098 [1,1,0,0,0,0|1,0,1]=4 1312 B11R1.4 CCC#CCSc1ccco1 62a_100009814098_100009813939 [1,1,0,0,0,0|1,0,1]=4 1313 B11R1.4 CCCCC=Cc1c[nH]cn1 271570a_100016275911_100000756875 [1,1,0,0,0,0|2,0,0]=4 1314 B11R1.4 CCCCC=Cc1cc[nH]n1 271570a_100016275911_100000062575 [1,1,0,0,0,0|2,0,0]=4 1315 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [1,1,0,0,0,0|0,0,0]=2 1316 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [1,1,0,0,0,0|0,1,0]=3 1317 B11R1.4 CCCCC=Cc1ccoc1 271570a_100016275911_100011215275 [1,1,0,0,0,0|2,0,0]=4 1318 B11R1.4 CCCCC=Cc1ccsc1 271570a_100016275911_100000738268 [1,1,0,0,0,0|2,0,0]=4 1319 B11R1.4 CCCCC=Cc1ccsn1 271570a_100016275911_100009818082 [1,1,0,0,0,0|2,0,0]=4 1320 B11R1.4 CCCCC=Cc1cnco1 271570a_100016275911_100020591547 [1,1,0,0,0,0|1,0,0]=3 1321 B11R1.4 CCCCC=Cc1cncs1 271570a_100016275911_100011934649 [1,1,0,0,0,0|1,1,0]=4 1322 B11R1.4 CCCCC=Cc1cscn1 271570a_100016275911_100000751502 [1,1,0,0,0,0|2,0,0]=4 1323 B11R1.4 CCCCC=Cc1ncc[nH]1 271570a_100016275911_100025796157 [1,1,0,0,0,0|2,0,0]=4 1324 B11R1.4 CCCCC=Cc1ncco1 271570a_100016275911_100011787736 [1,1,0,0,0,0|1,0,0]=3 1325 B11R1.4 CCCCC=Cc1nccs1 271570a_100016275911_100000211983 [1,1,0,0,0,0|1,1,0]=4 1326 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [1,1,0,0,0,0|0,0,1]=3 1327 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [1,1,0,0,0,0|0,0,1]=3 1328 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [1,1,0,0,0,0|0,1,1]=4 1329 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [1,1,0,0,0,0|0,1,1]=4 1330 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [1,1,0,0,0,0|1,0,1]=4 1331 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [1,1,0,0,0,0|1,0,1]=4 1332 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [1,1,0,0,0,0|1,0,1]=4 1333 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [1,1,0,0,0,0|1,0,1]=4 1334 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [1,1,0,0,0,0|0,0,1]=3 1335 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [1,1,0,0,0,0|0,0,1]=3 1336 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [1,1,0,0,0,0|0,0,1]=3 1337 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [1,1,0,0,0,0|0,0,1]=3 1338 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [1,1,0,0,0,0|0,1,1]=4 1339 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [1,1,0,0,0,0|0,1,1]=4 1340 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [1,1,0,0,0,0|0,1,1]=4 1341 B11R1.4 CCCCNCc1cnco1 270004a_100000102301_100000064291 [1,1,0,0,0,0|1,0,1]=4 1342 B11R1.4 CCCCNCc1ncco1 2230a_100000102301_103436540062 [1,1,0,0,0,0|1,0,1]=4 1343 B11R1.4 CCCCNCc1ncco1 2230a_100016994969_100000210211 [1,1,0,0,0,0|1,0,1]=4 1344 B11R1.4 CCCCNCc1ncco1 270004a_100000102301_100000064290 [1,1,0,0,0,0|1,0,1]=4 1345 B11R1.4 CCCCNCc1ncco1 7a_106832991798_103436540062 [1,1,0,0,0,0|1,0,1]=4 1346 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [1,1,0,0,0,0|0,0,1]=3 1347 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [1,1,0,0,0,0|0,1,1]=4 1348 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [1,1,0,0,0,0|1,0,1]=4 1349 B11R1.4 CCCCOCc1ncco1 34a_100000062594_100000210210 [1,1,0,0,0,0|1,0,1]=4 1350 B11R1.4 CCCCOCc1ncco1 34a_100000210227_103436540062 [1,1,0,0,0,0|1,0,1]=4 1351 B11R1.4 CCCCOCc1ncco1 7a_100000210227_103436540062 [1,1,0,0,0,0|1,0,1]=4 1352 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [1,1,0,0,0,0|1,0,1]=4 1353 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [1,1,0,0,0,0|1,0,1]=4 1354 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [1,1,0,0,0,0|0,0,1]=3 1355 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [1,1,0,0,0,0|0,0,1]=3 1356 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [1,1,0,0,0,0|0,1,1]=4 1357 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [1,1,0,0,0,0|0,1,1]=4 1358 B11R1.4 CCCNN=Cc1ccc[nH]1 4a_100000740057_100000211237 [1,1,0,0,0,0|2,0,0]=4 1359 B11R1.4 CCCNN=Cc1ccco1 4a_100000740057_100000186105 [1,1,0,0,0,0|1,0,0]=3 1360 B11R1.4 CCCNN=Cc1cccs1 4a_100000740057_100000209959 [1,1,0,0,0,0|1,1,0]=4 1361 B11R1.4 CCCNN=Cc1cnco1 4a_100000740057_100000064291 [1,1,0,0,0,0|2,0,0]=4 1362 B11R1.4 CCCNN=Cc1ncco1 4a_100000740057_100000064290 [1,1,0,0,0,0|2,0,0]=4 1363 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [1,1,0,0,0,0|0,1,1]=4 1364 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [1,1,0,0,0,0|0,1,1]=4 1365 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [1,1,0,0,0,0|0,1,1]=4 1366 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [1,1,0,0,0,0|0,1,1]=4 1367 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [1,1,0,0,0,0|0,1,1]=4 1368 B11R1.4 CCNCC=Cc1ccco1 270004a_100015525214_100000185671 [1,1,0,0,0,0|0,0,1]=3 1369 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [1,1,0,0,0,0|0,1,1]=4 1370 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [1,1,0,0,0,0|0,1,1]=4 1371 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [1,1,0,0,0,0|0,1,1]=4 1372 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [1,1,0,0,0,0|0,1,1]=4 1373 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [1,1,0,0,0,0|1,0,0]=3 1374 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [1,1,0,0,0,0|1,0,0]=3 1375 B11R1.4 CCOCCSc1cccs1 62a_100000210147_100011215356 [1,1,0,0,0,0|1,1,0]=4 1376 B11R1.4 CCOCCSc1cccs1 62a_100011215356_100011215890 [1,1,0,0,0,0|1,1,0]=4 1377 B11R1.4 CCOCCSc1cnco1 62a_100000210147_100020591547 [1,1,0,0,0,0|2,0,0]=4 1378 B11R1.4 CCOCCSc1cnco1 62a_100020591547_100011215890 [1,1,0,0,0,0|2,0,0]=4 1379 B11R1.4 CCOCCSc1ncco1 62a_100000210147_100011787736 [1,1,0,0,0,0|2,0,0]=4 1380 B11R1.4 CCOCCSc1ncco1 62a_100011787736_100011215890 [1,1,0,0,0,0|2,0,0]=4 1381 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [1,1,0,0,0,0|0,1,1]=4 1382 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [1,1,0,0,0,0|0,1,1]=4 1383 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [1,1,0,0,0,0|1,0,0]=3 1384 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [1,1,0,0,0,0|1,0,0]=3 1385 B11R1.4 CCSCCSc1cccs1 62a_100000757381_100011215356 [1,1,0,0,0,0|1,1,0]=4 1386 B11R1.4 CCSCCSc1cccs1 62a_100011215356_100000757381 [1,1,0,0,0,0|1,1,0]=4 1387 B11R1.4 CCSCCSc1cnco1 62a_100000757381_100020591547 [1,1,0,0,0,0|2,0,0]=4 1388 B11R1.4 CCSCCSc1cnco1 62a_100020591547_100000757381 [1,1,0,0,0,0|2,0,0]=4 1389 B11R1.4 CCSCCSc1ncco1 62a_100000757381_100011787736 [1,1,0,0,0,0|2,0,0]=4 1390 B11R1.4 CCSCCSc1ncco1 62a_100011787736_100000757381 [1,1,0,0,0,0|2,0,0]=4 1391 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [1,1,0,0,0,0|1,0,1]=4 1392 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [1,1,0,0,0,0|1,0,1]=4 1393 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [1,1,0,0,0,0|1,0,0]=3 1394 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [1,1,0,0,0,0|1,0,0]=3 1395 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [1,1,0,0,0,0|1,1,0]=4 1396 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [1,1,0,0,0,0|1,1,0]=4 1397 B11R1.4 COCCCSc1cnco1 62a_100000709357_100020591547 [1,1,0,0,0,0|2,0,0]=4 1398 B11R1.4 COCCCSc1cnco1 62a_100020591547_100000709357 [1,1,0,0,0,0|2,0,0]=4 1399 B11R1.4 COCCCSc1ncco1 62a_100000709357_100011787736 [1,1,0,0,0,0|2,0,0]=4 1400 B11R1.4 COCCCSc1ncco1 62a_100011787736_100000709357 [1,1,0,0,0,0|2,0,0]=4 1401 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [1,1,0,0,0,0|1,0,1]=4 1402 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [1,1,0,0,0,0|1,0,1]=4 1403 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [1,1,0,0,0,0|1,0,1]=4 1404 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [1,1,0,0,0,0|1,0,1]=4 1405 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [1,1,0,0,0,0|1,0,1]=4 1406 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [1,1,0,0,0,0|1,0,1]=4 1407 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [1,1,0,0,0,0|1,0,1]=4 1408 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [1,1,0,0,0,0|1,0,1]=4 1409 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [1,1,0,0,0,0|1,0,1]=4 1410 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [1,1,0,0,0,0|1,0,1]=4 1411 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [1,1,0,0,0,0|1,0,1]=4 1412 B11R1.4 CSCNCCc1ccco1 2230a_100000694680_100011218213 [1,1,0,0,0,0|1,0,1]=4 1413 B11R1.4 CSCNCCc1ccco1 34a_100000694680_100011218213 [1,1,0,0,0,0|1,0,1]=4 1414 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [1,1,0,0,0,0|1,0,0]=3 1415 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [1,1,0,0,0,0|1,0,0]=3 1416 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [1,1,0,0,0,0|1,1,0]=4 1417 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [1,1,0,0,0,0|1,1,0]=4 1418 B11R1.4 FCCCCSc1cnco1 62a_100000729493_100020591547 [1,1,0,0,0,0|2,0,0]=4 1419 B11R1.4 FCCCCSc1cnco1 62a_100020591547_100000729493 [1,1,0,0,0,0|2,0,0]=4 1420 B11R1.4 FCCCCSc1ncco1 62a_100000729493_100011787736 [1,1,0,0,0,0|2,0,0]=4 1421 B11R1.4 FCCCCSc1ncco1 62a_100011787736_100000729493 [1,1,0,0,0,0|2,0,0]=4 1422 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [1,1,0,0,0,0|1,0,1]=4 1423 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [1,1,0,0,0,0|1,0,1]=4 1424 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [1,1,0,0,0,0|1,0,1]=4 1425 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [1,1,0,0,0,0|1,0,1]=4 1426 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [1,1,0,0,0,0|1,0,1]=4 1427 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [1,1,0,0,0,0|1,0,1]=4 1428 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [1,1,0,0,0,0|1,0,1]=4 1429 B11R1.4 N#CCCCSc1ccco1 62a_100000687738_100009814098 [1,1,0,0,0,0|1,0,1]=4 1430 B11R1.4 N#CCCCSc1ccco1 62a_100009814098_100000687738 [1,1,0,0,0,0|1,0,1]=4 1431 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [1,1,0,0,0,0|1,0,1]=4 1432 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [1,1,0,0,0,0|1,0,1]=4 1433 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [1,1,0,0,0,0|1,0,0]=3 1434 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [1,1,0,0,0,0|1,0,0]=3 1435 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [1,1,0,0,0,0|1,1,0]=4 1436 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [1,1,0,0,0,0|1,1,0]=4 1437 B11R1.4 OCCCCSc1cnco1 62a_100000210776_100020591547 [1,1,0,0,0,0|2,0,0]=4 1438 B11R1.4 OCCCCSc1cnco1 62a_100020591547_100000210776 [1,1,0,0,0,0|2,0,0]=4 1439 B11R1.4 OCCCCSc1ncco1 62a_100000210776_100011787736 [1,1,0,0,0,0|2,0,0]=4 1440 B11R1.4 OCCCCSc1ncco1 62a_100011787736_100000210776 [1,1,0,0,0,0|2,0,0]=4 1441 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [1,1,0,0,0,0|1,0,1]=4 1442 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [1,1,0,0,0,0|1,0,1]=4 1443 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [1,1,0,0,0,0|1,0,1]=4 1444 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [1,1,0,0,0,0|1,0,1]=4 1445 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [1,1,0,0,0,0|1,0,1]=4 1446 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [1,1,0,0,0,0|1,0,1]=4 1447 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [1,1,0,0,0,0|1,0,1]=4 1448 B11R1.4 OCCNN=Cc1ccco1 4a_100000210001_100000186105 [1,1,0,0,0,0|2,0,0]=4 1449 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [1,1,0,0,0,0|1,0,1]=4 1450 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [1,1,0,0,0,0|1,0,1]=4 1451 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [1,1,0,0,0,0|1,0,1]=4 1452 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [1,1,0,0,0,0|1,0,1]=4 1453 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [1,1,0,0,0,0|0,0,2]=4 1454 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [1,1,0,0,0,0|1,0,1]=4 1455 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [1,1,0,0,0,0|1,0,1]=4 1456 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [1,1,0,0,0,0|1,0,0]=3 1457 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [1,1,0,0,0,0|1,0,0]=3 1458 B11R1.25 CCC(C)CSc1cccs1 62a_100000748023_100011215356 [1,1,0,0,0,0|1,1,0]=4 1459 B11R1.25 CCC(C)CSc1cccs1 62a_100011215356_100000748023 [1,1,0,0,0,0|1,1,0]=4 1460 B11R1.25 CCC(C)CSc1cnco1 62a_100000748023_100020591547 [1,1,0,0,0,0|2,0,0]=4 1461 B11R1.25 CCC(C)CSc1cnco1 62a_100020591547_100000748023 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.25 CCC(C)CSc1ncco1 62a_100000748023_100011787736 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.25 CCC(C)CSc1ncco1 62a_100011787736_100000748023 [1,1,0,0,0,0|2,0,0]=4 1464 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [1,1,0,0,0,0|1,0,1]=4 1465 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [1,1,0,0,0,0|1,0,1]=4 1466 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [1,1,0,0,0,0|1,0,1]=4 1467 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [1,1,0,0,0,0|1,0,1]=4 1468 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [1,1,0,0,0,0|1,0,1]=4 1469 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [1,1,0,0,0,0|1,0,0]=3 1470 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [1,1,0,0,0,0|1,0,0]=3 1471 B11R1.25 CCC(O)CSc1cccs1 62a_100011215356_100011218378 [1,1,0,0,0,0|1,1,0]=4 1472 B11R1.25 CCC(O)CSc1cccs1 62a_100011218378_100011215356 [1,1,0,0,0,0|1,1,0]=4 1473 B11R1.25 CCC(O)CSc1cnco1 62a_100011218378_100020591547 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.25 CCC(O)CSc1cnco1 62a_100020591547_100011218378 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.25 CCC(O)CSc1ncco1 62a_100011218378_100011787736 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.25 CCC(O)CSc1ncco1 62a_100011787736_100011218378 [1,1,0,0,0,0|2,0,0]=4 1477 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [1,1,0,0,0,0|1,0,0]=3 1478 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [1,1,0,0,0,0|1,0,0]=3 1479 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100009816398_100011215356 [1,1,0,0,0,0|1,1,0]=4 1480 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100011215356_100009816398 [1,1,0,0,0,0|1,1,0]=4 1481 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100009816398_100020591547 [1,1,0,0,0,0|2,0,0]=4 1482 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100020591547_100009816398 [1,1,0,0,0,0|2,0,0]=4 1483 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100009816398_100011787736 [1,1,0,0,0,0|2,0,0]=4 1484 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100011787736_100009816398 [1,1,0,0,0,0|2,0,0]=4 1485 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [1,1,0,0,0,0|1,0,1]=4 1486 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [1,1,0,0,0,0|1,0,1]=4 1487 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100000059175_100009814098 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100009814098_100000059175 [1,1,0,0,0,0|2,0,0]=4 1489 B11R1.25 OCC(O)CSc1ccco1 62a_100009814098_100011219619 [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.25 OCC(O)CSc1ccco1 62a_100011219619_100009814098 [1,1,0,0,0,0|2,0,0]=4 1491 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009814098_100009815848 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009815848_100009814098 [1,1,0,0,0,0|2,0,0]=4 1493 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100009814098_100015614560 [1,1,0,0,0,0|2,0,0]=4 1494 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100015614560_100009814098 [1,1,0,0,0,0|2,0,0]=4 1495 B11R1.27 CCCC=Cc1cc(cs1)C 271570a_100016258520_100009876951 [1,1,0,0,0,0|0,1,1]=4 1496 B11R1.27 CCCC=Cc1ccc(s1)Br 271570a_100016258520_100010197418 [1,1,0,0,0,0|0,1,1]=4 1497 B11R1.27 CCCC=Cc1ccc(s1)C 271570a_100016258520_100000761539 [1,1,0,0,0,0|0,1,1]=4 1498 B11R1.27 CCCCSc1cc(cs1)C 62a_100000210211_100009876951 [1,1,0,0,0,0|1,1,0]=4 1499 B11R1.27 CCCCSc1cc(cs1)C 62a_100009876951_100000210210 [1,1,0,0,0,0|1,1,0]=4 1500 B11R1.27 CCCCSc1ccc(s1)Br 62a_100000210211_100010197418 [1,1,0,0,0,0|1,1,0]=4 1501 B11R1.27 CCCCSc1ccc(s1)Br 62a_100010197418_100000210210 [1,1,0,0,0,0|1,1,0]=4 1502 B11R1.27 CCCCSc1ccc(s1)C 62a_100000031368_100000210210 [1,1,0,0,0,0|1,1,0]=4 1503 B11R1.27 CCCCSc1ccc(s1)C 62a_100000210211_100000031368 [1,1,0,0,0,0|1,1,0]=4 1504 B11R1.27 CCCNCc1cc(co1)Br 270004a_100020643023_100000747035 [1,1,0,0,0,0|1,0,1]=4 1505 B11R1.27 CCCNCc1ccc(o1)Br 207a_100020643023_100000185145 [1,1,0,0,0,0|1,0,1]=4 1506 B11R1.27 CCCNCc1ccc(o1)Br 270004a_100020643023_100000185145 [1,1,0,0,0,0|1,0,1]=4 1507 B11R1.27 CCCNCc1ccc(o1)Br 34a_100000708654_100000210303 [1,1,0,0,0,0|1,0,1]=4 1508 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [1,1,0,0,0,0|1,0,1]=4 1509 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [1,1,0,0,0,0|1,0,1]=4 1510 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [1,1,0,0,0,0|1,0,1]=4 1511 B11R1.27 CCCNCc1ccc(o1)Cl 207a_100020643023_100000188459 [1,1,0,0,0,0|1,0,1]=4 1512 B11R1.27 CCCNCc1ccc(o1)Cl 270004a_100020643023_100000188459 [1,1,0,0,0,0|1,0,1]=4 1513 B11R1.27 CCCNCc1ccc(o1)I 207a_100020643023_100000186757 [1,1,0,0,0,0|1,0,1]=4 1514 B11R1.27 CCCOCc1ccc(o1)Br 34a_100000246276_100000210303 [1,1,0,0,0,0|1,0,1]=4 1515 B11R1.27 CCCOCc1ccc(o1)Br 7a_100000246276_100000210303 [1,1,0,0,0,0|1,0,1]=4 1516 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [1,1,0,0,0,0|1,0,1]=4 1517 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [1,1,0,0,0,0|1,0,1]=4 1518 B11R1.27 CCNCCc1ccc(o1)C 2230a_100000739271_100000210202 [1,1,0,0,0,0|1,0,1]=4 1519 B11R1.27 CCNCCc1ccc(o1)C 34a_100000739271_100000210202 [1,1,0,0,0,0|1,0,1]=4 1520 B11R1.27 CCNN=Cc1cc(co1)Br 4a_100000756455_100000747035 [1,1,0,0,0,0|2,0,0]=4 1521 B11R1.27 CCNN=Cc1ccc(o1)Br 4a_100000756455_100000185145 [1,1,0,0,0,0|2,0,0]=4 1522 B11R1.27 CCNN=Cc1ccc(o1)C 4a_100000756455_100000183696 [1,1,0,0,0,0|2,0,0]=4 1523 B11R1.27 CCNN=Cc1ccc(o1)Cl 4a_100000756455_100000188459 [1,1,0,0,0,0|2,0,0]=4 1524 B11R1.27 CCNN=Cc1ccc(o1)I 4a_100000756455_100000186757 [1,1,0,0,0,0|2,0,0]=4 1525 B11R1.27 CCOCCc1ccc(o1)C 34a_100012161071_100000210202 [1,1,0,0,0,0|1,0,1]=4 1526 B11R1.27 CCOCCc1ccc(o1)C 7a_100012161071_100000210202 [1,1,0,0,0,0|1,0,1]=4 1527 B11R1.30 CC(CCO)Sc1ccco1 62a_100009814098_100009893172 [1,1,0,0,0,0|2,0,0]=4 1528 B11R1.30 CC(CCO)Sc1ccco1 62a_100009893172_100009814098 [1,1,0,0,0,0|2,0,0]=4 1529 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [1,1,0,0,0,0|0,0,2]=4 1530 B11R1.30 CCCC(C)Sc1ccco1 62a_100000766640_100009814098 [1,1,0,0,0,0|1,0,0]=3 1531 B11R1.30 CCCC(C)Sc1ccco1 62a_100009814098_100000766640 [1,1,0,0,0,0|1,0,0]=3 1532 B11R1.30 CCCC(C)Sc1cccs1 62a_100000766640_100011215356 [1,1,0,0,0,0|1,1,0]=4 1533 B11R1.30 CCCC(C)Sc1cccs1 62a_100011215356_100000766640 [1,1,0,0,0,0|1,1,0]=4 1534 B11R1.30 CCCC(C)Sc1cnco1 62a_100000766640_100020591547 [1,1,0,0,0,0|2,0,0]=4 1535 B11R1.30 CCCC(C)Sc1cnco1 62a_100020591547_100000766640 [1,1,0,0,0,0|2,0,0]=4 1536 B11R1.30 CCCC(C)Sc1ncco1 62a_100000766640_100011787736 [1,1,0,0,0,0|2,0,0]=4 1537 B11R1.30 CCCC(C)Sc1ncco1 62a_100011787736_100000766640 [1,1,0,0,0,0|2,0,0]=4 1538 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [1,1,0,0,0,0|1,0,1]=4 1539 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [1,1,0,0,0,0|1,0,1]=4 1540 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [1,1,0,0,0,0|1,0,1]=4 1541 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [1,1,0,0,0,0|1,0,1]=4 1542 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [1,1,0,0,0,0|1,0,1]=4 1543 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [1,1,0,0,0,0|1,0,1]=4 1544 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [1,1,0,0,0,0|1,0,1]=4 1545 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [1,1,0,0,0,0|1,0,1]=4 1546 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [1,1,0,0,0,0|1,0,1]=4 1547 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [1,1,0,0,0,0|1,0,1]=4 1548 B11R1.30 COCC(C)Sc1ccco1 62a_100000765312_100009814098 [1,1,0,0,0,0|2,0,0]=4 1549 B11R1.30 COCC(C)Sc1ccco1 62a_100009814098_100000765312 [1,1,0,0,0,0|2,0,0]=4 1550 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [1,1,0,0,0,0|1,0,1]=4 1551 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [1,1,0,0,0,0|1,0,1]=4 1552 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [1,1,0,0,0,0|1,0,1]=4 1553 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [1,1,0,0,0,0|1,0,1]=4 1554 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [1,1,0,0,0,0|0,0,1]=3 1555 B11R1.172 CC(C)CC=Cc1cccs1 271570a_100016259101_100011215356 [1,1,0,0,0,0|0,1,1]=4 1556 B11R1.172 CC(C)CC=Cc1cnco1 271570a_100016259101_100020591547 [1,1,0,0,0,0|1,0,1]=4 1557 B11R1.172 CC(C)CC=Cc1ncco1 271570a_100016259101_100011787736 [1,1,0,0,0,0|1,0,1]=4 1558 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [1,1,0,0,0,0|1,0,0]=3 1559 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [1,1,0,0,0,0|1,0,0]=3 1560 B11R1.172 CC(C)CCSc1cccs1 62a_100000210312_100011215356 [1,1,0,0,0,0|1,1,0]=4 1561 B11R1.172 CC(C)CCSc1cccs1 62a_100011215356_100000210312 [1,1,0,0,0,0|1,1,0]=4 1562 B11R1.172 CC(C)CCSc1cnco1 62a_100000210312_100020591547 [1,1,0,0,0,0|2,0,0]=4 1563 B11R1.172 CC(C)CCSc1cnco1 62a_100020591547_100000210312 [1,1,0,0,0,0|2,0,0]=4 1564 B11R1.172 CC(C)CCSc1ncco1 62a_100000210312_100011787736 [1,1,0,0,0,0|2,0,0]=4 1565 B11R1.172 CC(C)CCSc1ncco1 62a_100011787736_100000210312 [1,1,0,0,0,0|2,0,0]=4 1566 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [1,1,0,0,0,0|1,0,1]=4 1567 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [1,1,0,0,0,0|1,0,1]=4 1568 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [1,1,0,0,0,0|1,0,1]=4 1569 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [1,1,0,0,0,0|1,0,1]=4 1570 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [1,1,0,0,0,0|1,0,1]=4 1571 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [1,1,0,0,0,0|1,0,1]=4 1572 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [1,1,0,0,0,0|1,0,1]=4 1573 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [1,1,0,0,0,0|1,0,1]=4 1574 B11R1.172 CC(C)NN=Cc1ccco1 4a_100000741168_100000186105 [1,1,0,0,0,0|2,0,0]=4 1575 B11R1.172 CC(C)OCSc1ccco1 62a_100000709892_100009814098 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.172 CC(C)OCSc1ccco1 62a_100009814098_100000709892 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [1,1,0,0,0,0|1,0,0]=3 1578 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [1,1,0,0,0,0|1,0,0]=3 1579 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [1,1,0,0,0,0|1,1,0]=4 1580 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [1,1,0,0,0,0|1,1,0]=4 1581 B11R1.172 CC(O)CCSc1cnco1 62a_100012276601_100020591547 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.172 CC(O)CCSc1cnco1 62a_100020591547_100012276601 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.172 CC(O)CCSc1ncco1 62a_100011787736_100012276601 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.172 CC(O)CCSc1ncco1 62a_100012276601_100011787736 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [1,1,0,0,0,0|1,0,1]=4 1586 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [1,1,0,0,0,0|1,0,1]=4 1587 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [1,1,0,0,0,0|1,0,1]=4 1588 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [1,1,0,0,0,0|1,0,1]=4 1589 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [1,1,0,0,0,0|1,0,1]=4 1590 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [1,1,0,0,0,0|1,0,1]=4 1591 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [1,1,0,0,0,0|2,0,0]=4 1592 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [1,1,0,0,0,0|1,0,1]=4 1593 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [1,1,0,0,0,0|1,0,1]=4 1594 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [1,1,0,0,0,0|1,0,1]=4 1595 B11R1.180 CCCC=Cc1sccc1Br 271570a_100016258520_100012361411 [1,1,0,0,0,0|0,1,1]=4 1596 B11R1.180 CCCC=Cc1sccc1C 271570a_100016258520_100000742657 [1,1,0,0,0,0|0,1,1]=4 1597 B11R1.180 CCCCSc1sccc1Br 62a_100000210211_100012361411 [1,1,0,0,0,0|1,1,0]=4 1598 B11R1.180 CCCCSc1sccc1Br 62a_100012361411_100000210210 [1,1,0,0,0,0|1,1,0]=4 1599 B11R1.180 CCCCSc1sccc1C 62a_100000210211_100010247149 [1,1,0,0,0,0|1,1,0]=4 1600 B11R1.180 CCCCSc1sccc1C 62a_100010247149_100000210210 [1,1,0,0,0,0|1,1,0]=4 1601 B11R1.180 CCCNCc1occc1Br 270004a_100020643023_100000756499 [1,1,0,0,0,0|1,0,1]=4 1602 B11R1.180 CCCNCc1occc1C 207a_100020643023_100000763527 [1,1,0,0,0,0|1,0,1]=4 1603 B11R1.180 CCCNCc1occc1C 270004a_100020643023_100000763527 [1,1,0,0,0,0|1,0,1]=4 1604 B11R1.180 CCCOCc1occc1C 34a_100011273948_100000210303 [1,1,0,0,0,0|1,0,1]=4 1605 B11R1.180 CCCOCc1occc1C 7a_100011273948_100000210303 [1,1,0,0,0,0|1,0,1]=4 1606 B11R1.180 CCNN=Cc1occc1Br 4a_100000756455_100000756499 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.180 CCNN=Cc1occc1C 4a_100000756455_100000763527 [1,1,0,0,0,0|2,0,0]=4 1608 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,1,0,0,0,1|1,0,1]=4 1609 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,1,0,0,0,1|1,0,1]=4 1610 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [0,1,0,0,0,1|1,0,1]=4 1611 B13R1.11 CCC(=O)CC(=O)c1cccnc1 1458a_100000210414_100015188593 [0,1,0,0,0,1|1,0,1]=4 1612 B13R1.11 CCC(=O)CC(=O)c1ccncc1 1458a_100000210414_100000027454 [0,1,0,0,0,1|1,0,1]=4 1613 B13R1.11 CCC(=O)CC(=O)c1ncccn1 1458a_100000210414_100020636365 [0,1,0,0,0,1|1,0,1]=4 1614 B13R1.11 CCC(C)CC(=O)C1=CCCCO1 1458a_100000764163_100000748023 [0,1,0,0,0,1|0,0,2]=4 1615 B13R1.11 CCC(C)CC(=O)C1=COCCO1 1458a_100000008702_100000748023 [0,1,0,0,0,1|0,0,2]=4 1616 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,1,0,0,0,1|1,0,0]=3 1617 B13R1.11 CCC(C)NC(=O)c1ccccc1 11a_100000209981_100000185807 [0,1,0,0,0,1|2,0,0]=4 1618 B13R1.11 CCC(C)NC(=O)c1ccccc1 1626a_100000209981_100000185807 [0,1,0,0,0,1|2,0,0]=4 1619 B13R1.11 CCC(C)NC(=O)c1ccccc1 240690a_100000209981_100000185807 [0,1,0,0,0,1|2,0,0]=4 1620 B13R1.11 CCC(C)NC(=O)c1ccccc1 527a_100000209981_100000185807 [0,1,0,0,0,1|2,0,0]=4 1621 B13R1.11 CCC(O)CC(=O)C1=CCCCO1 1458a_100000764163_100011218378 [0,1,0,0,0,1|0,0,2]=4 1622 B13R1.11 CCC(O)CC(=O)C1=COCCO1 1458a_100000008702_100011218378 [0,1,0,0,0,1|0,0,2]=4 1623 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,1,0,0,0,1|1,0,0]=3 1624 B13R1.11 CCN(C)CC(=O)c1ccccc1 269982a_100000225621_100000211460 [0,1,0,0,0,1|2,0,0]=4 1625 B13R1.11 CCN(C)CC(=O)c1ccccn1 269982a_100000225621_100000027445 [0,1,0,0,0,1|2,0,0]=4 1626 B13R1.11 CCN(C)CC(=O)c1cccnc1 269982a_100000225621_100000757877 [0,1,0,0,0,1|2,0,0]=4 1627 B13R1.11 CCN(C)CC(=O)c1ccncc1 269982a_100000225621_100000027454 [0,1,0,0,0,1|2,0,0]=4 1628 B13R1.11 CC[C@H](C)CC(=O)C1=CCCCO1 1458a_100000764163_100009816398 [0,1,0,0,0,1|0,0,2]=4 1629 B13R1.11 CC[C@H](C)CC(=O)C1=COCCO1 1458a_100000008702_100009816398 [0,1,0,0,0,1|0,0,2]=4 1630 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,1,0,0,0,1|1,0,0]=3 1631 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,1,0,0,0,1|2,0,0]=4 1632 B13R1.17 CCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210211 [0,1,0,0,0,1|1,0,0]=3 1633 B13R1.17 CCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210211 [0,1,0,0,0,1|1,0,0]=3 1634 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210211 [0,1,0,0,0,1|1,0,0]=3 1635 B13R1.17 CCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210211 [0,1,0,0,0,1|1,0,0]=3 1636 B13R1.17 CCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210211 [0,1,0,0,0,1|1,0,0]=3 1637 B13R1.17 CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210211 [0,1,0,0,0,1|1,0,0]=3 1638 B13R1.17 CCCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011215321 [0,1,0,0,0,1|1,0,0]=3 1639 B13R1.17 CCCCS(=O)c1ccc(cc1)O 271570a_203496583355_100016336038 [0,1,0,0,0,1|2,0,0]=4 1640 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 11a_100020643023_100000185839 [0,1,0,0,0,1|2,0,0]=4 1641 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 1626a_100020643023_100000185839 [0,1,0,0,0,1|2,0,0]=4 1642 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 240690a_100020643023_100000185839 [0,1,0,0,0,1|2,0,0]=4 1643 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 527a_100020643023_100000185839 [0,1,0,0,0,1|2,0,0]=4 1644 B13R1.17 CCCNC(=O)c1ccc(cc1)C 11a_100020643023_100000188618 [0,1,0,0,0,1|2,0,0]=4 1645 B13R1.17 CCCNC(=O)c1ccc(cc1)C 1626a_100020643023_100000188618 [0,1,0,0,0,1|2,0,0]=4 1646 B13R1.17 CCCNC(=O)c1ccc(cc1)C 240690a_100020643023_100000188618 [0,1,0,0,0,1|2,0,0]=4 1647 B13R1.17 CCCNC(=O)c1ccc(cc1)C 527a_100020643023_100000188618 [0,1,0,0,0,1|2,0,0]=4 1648 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 11a_100020643023_100000210187 [0,1,0,0,0,1|2,0,0]=4 1649 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 1626a_100020643023_100000210187 [0,1,0,0,0,1|2,0,0]=4 1650 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 240690a_100020643023_100000210187 [0,1,0,0,0,1|2,0,0]=4 1651 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 527a_100020643023_100000210187 [0,1,0,0,0,1|2,0,0]=4 1652 B13R1.17 CCCNC(=O)c1ccc(cc1)F 11a_100020643023_100000187176 [0,1,0,0,0,1|2,0,0]=4 1653 B13R1.17 CCCNC(=O)c1ccc(cc1)F 1626a_100020643023_100000187176 [0,1,0,0,0,1|2,0,0]=4 1654 B13R1.17 CCCNC(=O)c1ccc(cc1)F 240690a_100020643023_100000187176 [0,1,0,0,0,1|2,0,0]=4 1655 B13R1.17 CCCNC(=O)c1ccc(cc1)F 527a_100020643023_100000187176 [0,1,0,0,0,1|2,0,0]=4 1656 B13R1.17 CCCNC(=O)c1ccc(cc1)I 11a_100020643023_100000187904 [0,1,0,0,0,1|2,0,0]=4 1657 B13R1.17 CCCNC(=O)c1ccc(cc1)I 1626a_100020643023_100000187904 [0,1,0,0,0,1|2,0,0]=4 1658 B13R1.17 CCCNC(=O)c1ccc(cc1)I 240690a_100020643023_100000187904 [0,1,0,0,0,1|2,0,0]=4 1659 B13R1.17 CCCNC(=O)c1ccc(cc1)I 527a_100020643023_100000187904 [0,1,0,0,0,1|2,0,0]=4 1660 B13R1.17 CCCNC(=O)c1ccc(cc1)O 240690a_100020643023_100000212099 [0,1,0,0,0,1|2,0,0]=4 1661 B13R1.17 CCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000152267 [0,1,0,0,0,1|2,0,0]=4 1662 B13R1.17 CCCNC(=O)c1ccc(cc1)O 527a_100020643023_100000212099 [0,1,0,0,0,1|2,0,0]=4 1663 B13R1.17 CCCNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781247 [0,1,0,0,0,1|2,0,0]=4 1664 B13R1.17 CCCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000161739 [0,1,0,0,0,1|2,0,0]=4 1665 B13R1.17 CCNCC(=O)c1ccc(cc1)C 2230a_100015525214_100000211441 [0,1,0,0,0,1|2,0,0]=4 1666 B13R1.17 CCOCC(=O)c1ccc(cc1)Br 34a_100121572206_100000188085 [0,1,0,0,0,1|2,0,0]=4 1667 B13R1.17 CCOCC(=O)c1ccc(cc1)C 34a_100121572206_100000211441 [0,1,0,0,0,1|2,0,0]=4 1668 B13R1.17 CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210202 [0,1,0,0,0,1|2,0,0]=4 1669 B13R1.17 CCOCC(=O)c1ccc(cc1)I 34a_100121572206_100011216261 [0,1,0,0,0,1|2,0,0]=4 1670 B13R1.17 CCOCC(=O)c1ccc(cc1)O 34a_100121572206_100009814261 [0,1,0,0,0,1|2,0,0]=4 1671 B13R1.17 CCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210202 [0,1,0,0,0,1|2,0,0]=4 1672 B13R1.17 CCSCC(=O)c1ccc(cc1)C 62a_100000210202_100000211441 [0,1,0,0,0,1|2,0,0]=4 1673 B13R1.17 CCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210202 [0,1,0,0,0,1|2,0,0]=4 1674 B13R1.17 CCSCC(=O)c1ccc(cc1)Cl 62a_100000210202_100000211071 [0,1,0,0,0,1|2,0,0]=4 1675 B13R1.17 CCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210202 [0,1,0,0,0,1|2,0,0]=4 1676 B13R1.17 CCSCC(=O)c1ccc(cc1)F 62a_100000210202_100000211279 [0,1,0,0,0,1|2,0,0]=4 1677 B13R1.17 CCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210202 [0,1,0,0,0,1|2,0,0]=4 1678 B13R1.17 CCSCC(=O)c1ccc(cc1)I 62a_100000210202_100011216261 [0,1,0,0,0,1|2,0,0]=4 1679 B13R1.17 CCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210202 [0,1,0,0,0,1|2,0,0]=4 1680 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100000210202_100009814261 [0,1,0,0,0,1|2,0,0]=4 1681 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210202 [0,1,0,0,0,1|2,0,0]=4 1682 B13R1.17 CCSCC(=O)c1ccc(cn1)Cl 62a_100000210202_100016989621 [0,1,0,0,0,1|2,0,0]=4 1683 B13R1.17 CCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210202 [0,1,0,0,0,1|2,0,0]=4 1684 B13R1.17 CCSCC(=O)c1ccc(nc1)C 62a_100000210202_100012027583 [0,1,0,0,0,1|2,0,0]=4 1685 B13R1.17 CCSCC(=O)c1ccc(nc1)C 62a_100012027583_100000210202 [0,1,0,0,0,1|2,0,0]=4 1686 B13R1.17 CCSCC(=O)c1ccc(nc1)Cl 62a_100000210202_100009864725 [0,1,0,0,0,1|2,0,0]=4 1687 B13R1.17 CCSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210202 [0,1,0,0,0,1|2,0,0]=4 1688 B13R1.17 CNCCC(=O)c1ccc(cc1)Br 7a_106832991635_100011215963 [0,1,0,0,0,1|2,0,0]=4 1689 B13R1.17 CNCCC(=O)c1ccc(cc1)C 2230a_106832991635_100000701375 [0,1,0,0,0,1|2,0,0]=4 1690 B13R1.17 CNCCC(=O)c1ccc(cc1)C 7a_106832991635_100000701375 [0,1,0,0,0,1|2,0,0]=4 1691 B13R1.17 CNCCC(=O)c1ccc(cc1)Cl 7a_106832991635_100011216492 [0,1,0,0,0,1|2,0,0]=4 1692 B13R1.17 CNCCC(=O)c1ccc(cc1)F 2230a_106832991635_100000211231 [0,1,0,0,0,1|2,0,0]=4 1693 B13R1.17 CNCCC(=O)c1ccc(cc1)F 7a_106832991635_100000211231 [0,1,0,0,0,1|2,0,0]=4 1694 B13R1.17 CNCCC(=O)c1ccc(cc1)O 2230a_106832991635_100009879949 [0,1,0,0,0,1|2,0,0]=4 1695 B13R1.17 CNCCC(=O)c1ccc(cc1)O 7a_106832991635_100009879949 [0,1,0,0,0,1|2,0,0]=4 1696 B13R1.17 COCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000233755 [0,1,0,0,0,1|2,0,0]=4 1697 B13R1.17 COCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000233755 [0,1,0,0,0,1|2,0,0]=4 1698 B13R1.17 COCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000233755 [0,1,0,0,0,1|2,0,0]=4 1699 B13R1.17 COCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000233755 [0,1,0,0,0,1|2,0,0]=4 1700 B13R1.17 COCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000233755 [0,1,0,0,0,1|2,0,0]=4 1701 B13R1.17 COCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000233755 [0,1,0,0,0,1|2,0,0]=4 1702 B13R1.17 CSCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000751147 [0,1,0,0,0,1|2,0,0]=4 1703 B13R1.17 CSCCC(=O)c1ccc(cc1)Br 62a_100011215963_200000210301 [0,1,0,0,0,1|2,0,0]=4 1704 B13R1.17 CSCCC(=O)c1ccc(cc1)Br 62a_200000210301_100011215963 [0,1,0,0,0,1|2,0,0]=4 1705 B13R1.17 CSCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000751147 [0,1,0,0,0,1|2,0,0]=4 1706 B13R1.17 CSCCC(=O)c1ccc(cc1)C 62a_100000701375_200000210301 [0,1,0,0,0,1|2,0,0]=4 1707 B13R1.17 CSCCC(=O)c1ccc(cc1)C 62a_200000210301_100000701375 [0,1,0,0,0,1|2,0,0]=4 1708 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000751147 [0,1,0,0,0,1|2,0,0]=4 1709 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_200000210301 [0,1,0,0,0,1|2,0,0]=4 1710 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 62a_200000210301_100011216492 [0,1,0,0,0,1|2,0,0]=4 1711 B13R1.17 CSCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000751147 [0,1,0,0,0,1|2,0,0]=4 1712 B13R1.17 CSCCC(=O)c1ccc(cc1)F 62a_100000211231_200000210301 [0,1,0,0,0,1|2,0,0]=4 1713 B13R1.17 CSCCC(=O)c1ccc(cc1)F 62a_200000210301_100000211231 [0,1,0,0,0,1|2,0,0]=4 1714 B13R1.17 CSCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000751147 [0,1,0,0,0,1|2,0,0]=4 1715 B13R1.17 CSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000751147 [0,1,0,0,0,1|2,0,0]=4 1716 B13R1.17 CSCCC(=O)c1ccc(cc1)O 62a_200000210301_100009879949 [0,1,0,0,0,1|2,0,0]=4 1717 B13R1.17 Cc1ccc(cc1)C(=O)CCCF 1458a_100000188618_100011934791 [0,1,0,0,0,1|2,0,0]=4 1718 B13R1.17 Cc1ccc(cc1)C(=O)CCCO 1458a_100000188618_100011215043 [0,1,0,0,0,1|2,0,0]=4 1719 B13R1.17 Cc1ccc(cc1)C(=O)CCS[13CH3] 62a_100000701375_200025704644 [0,1,0,0,0,1|2,0,0]=4 1720 B13R1.17 Cc1ccc(cc1)C(=O)CCS[13CH3] 62a_200025704644_100000701375 [0,1,0,0,0,1|2,0,0]=4 1721 B13R1.17 O=C(CCCF)c1ccc(cc1)Br 1458a_100000185839_100011934791 [0,1,0,0,0,1|2,0,0]=4 1722 B13R1.17 O=C(CCCF)c1ccc(cc1)Cl 1458a_100000210187_100011934791 [0,1,0,0,0,1|2,0,0]=4 1723 B13R1.17 O=C(CCCF)c1ccc(cc1)F 1458a_100000187176_100011934791 [0,1,0,0,0,1|2,0,0]=4 1724 B13R1.17 O=C(CCCF)c1ccc(cc1)I 1458a_100000187904_100011934791 [0,1,0,0,0,1|2,0,0]=4 1725 B13R1.17 O=C(CCCF)c1ccc(cc1)O 1458a_100000212099_100011934791 [0,1,0,0,0,1|2,0,0]=4 1726 B13R1.17 O=C(CCCO)c1ccc(cc1)Br 1458a_100000185839_100011215043 [0,1,0,0,0,1|2,0,0]=4 1727 B13R1.17 O=C(CCCO)c1ccc(cc1)Cl 1458a_100000210187_100011215043 [0,1,0,0,0,1|2,0,0]=4 1728 B13R1.17 O=C(CCCO)c1ccc(cc1)F 1458a_100000187176_100011215043 [0,1,0,0,0,1|2,0,0]=4 1729 B13R1.17 O=C(CCCO)c1ccc(cc1)I 1458a_100000187904_100011215043 [0,1,0,0,0,1|2,0,0]=4 1730 B13R1.17 O=C(CCCO)c1ccc(cc1)O 1458a_100000212099_100011215043 [0,1,0,0,0,1|2,0,0]=4 1731 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Br 62a_100011215963_200025704644 [0,1,0,0,0,1|2,0,0]=4 1732 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Br 62a_200025704644_100011215963 [0,1,0,0,0,1|2,0,0]=4 1733 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_200025704644 [0,1,0,0,0,1|2,0,0]=4 1734 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Cl 62a_200025704644_100011216492 [0,1,0,0,0,1|2,0,0]=4 1735 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)F 62a_100000211231_200025704644 [0,1,0,0,0,1|2,0,0]=4 1736 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)F 62a_200025704644_100000211231 [0,1,0,0,0,1|2,0,0]=4 1737 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)O 62a_200025704644_100009879949 [0,1,0,0,0,1|2,0,0]=4 1738 B13R1.18 CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210211 [0,1,0,0,0,1|1,0,0]=3 1739 B13R1.18 CCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210211 [0,1,0,0,0,1|1,0,0]=3 1740 B13R1.18 CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210211 [0,1,0,0,0,1|1,0,0]=3 1741 B13R1.18 CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210211 [0,1,0,0,0,1|1,0,0]=3 1742 B13R1.18 CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210211 [0,1,0,0,0,1|1,0,0]=3 1743 B13R1.18 CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210211 [0,1,0,0,0,1|1,0,0]=3 1744 B13R1.18 CCCCS(=O)c1cccc(c1)O 271570a_203496583355_200010264433 [0,1,0,0,0,1|2,0,0]=4 1745 B13R1.18 CCCNC(=O)c1cccc(c1)Br 11a_100020643023_100000210664 [0,1,0,0,0,1|2,0,0]=4 1746 B13R1.18 CCCNC(=O)c1cccc(c1)Br 1626a_100020643023_100000210664 [0,1,0,0,0,1|2,0,0]=4 1747 B13R1.18 CCCNC(=O)c1cccc(c1)Br 240690a_100020643023_100000210664 [0,1,0,0,0,1|2,0,0]=4 1748 B13R1.18 CCCNC(=O)c1cccc(c1)Br 527a_100020643023_100000210664 [0,1,0,0,0,1|2,0,0]=4 1749 B13R1.18 CCCNC(=O)c1cccc(c1)C 11a_100020643023_100000189346 [0,1,0,0,0,1|2,0,0]=4 1750 B13R1.18 CCCNC(=O)c1cccc(c1)C 1626a_100020643023_100000189346 [0,1,0,0,0,1|2,0,0]=4 1751 B13R1.18 CCCNC(=O)c1cccc(c1)C 240690a_100020643023_100000189346 [0,1,0,0,0,1|2,0,0]=4 1752 B13R1.18 CCCNC(=O)c1cccc(c1)C 527a_100020643023_100000189346 [0,1,0,0,0,1|2,0,0]=4 1753 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 11a_100020643023_100000210390 [0,1,0,0,0,1|2,0,0]=4 1754 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 1626a_100020643023_100000210390 [0,1,0,0,0,1|2,0,0]=4 1755 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 240690a_100020643023_100000210390 [0,1,0,0,0,1|2,0,0]=4 1756 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 527a_100020643023_100000210390 [0,1,0,0,0,1|2,0,0]=4 1757 B13R1.18 CCCNC(=O)c1cccc(c1)F 11a_100020643023_100000210950 [0,1,0,0,0,1|2,0,0]=4 1758 B13R1.18 CCCNC(=O)c1cccc(c1)F 1626a_100020643023_100000210950 [0,1,0,0,0,1|2,0,0]=4 1759 B13R1.18 CCCNC(=O)c1cccc(c1)F 240690a_100020643023_100000210950 [0,1,0,0,0,1|2,0,0]=4 1760 B13R1.18 CCCNC(=O)c1cccc(c1)F 527a_100020643023_100000210950 [0,1,0,0,0,1|2,0,0]=4 1761 B13R1.18 CCCNC(=O)c1cccc(c1)I 11a_100020643023_100000184098 [0,1,0,0,0,1|2,0,0]=4 1762 B13R1.18 CCCNC(=O)c1cccc(c1)I 1626a_100020643023_100000184098 [0,1,0,0,0,1|2,0,0]=4 1763 B13R1.18 CCCNC(=O)c1cccc(c1)I 240690a_100020643023_100000184098 [0,1,0,0,0,1|2,0,0]=4 1764 B13R1.18 CCCNC(=O)c1cccc(c1)I 527a_100020643023_100000184098 [0,1,0,0,0,1|2,0,0]=4 1765 B13R1.18 CCCNC(=O)c1cccc(c1)O 240690a_100020643023_100000183914 [0,1,0,0,0,1|2,0,0]=4 1766 B13R1.18 CCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000152271 [0,1,0,0,0,1|2,0,0]=4 1767 B13R1.18 CCCNC(=O)c1cccc(c1)O 527a_100020643023_100000183914 [0,1,0,0,0,1|2,0,0]=4 1768 B13R1.18 CCCNC(=O)c1cncc(c1)O 271570a_203496583355_200000152275 [0,1,0,0,0,1|2,0,0]=4 1769 B13R1.18 CCNCC(=O)c1cccc(c1)Br 2230a_100015525214_100000212080 [0,1,0,0,0,1|2,0,0]=4 1770 B13R1.18 CCNCC(=O)c1cccc(c1)C 2230a_100015525214_100000739480 [0,1,0,0,0,1|2,0,0]=4 1771 B13R1.18 CCNCC(=O)c1cccc(c1)Cl 2230a_100015525214_100000211444 [0,1,0,0,0,1|2,0,0]=4 1772 B13R1.18 CCNCC(=O)c1cccc(c1)F 2230a_100015525214_100000215616 [0,1,0,0,0,1|2,0,0]=4 1773 B13R1.18 CCOCC(=O)c1cccc(c1)Br 34a_100121572206_100000212080 [0,1,0,0,0,1|2,0,0]=4 1774 B13R1.18 CCOCC(=O)c1cccc(c1)C 34a_100121572206_100000739480 [0,1,0,0,0,1|2,0,0]=4 1775 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 34a_100121572206_100000211444 [0,1,0,0,0,1|2,0,0]=4 1776 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210202 [0,1,0,0,0,1|2,0,0]=4 1777 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210202 [0,1,0,0,0,1|2,0,0]=4 1778 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100121572206_100000215616 [0,1,0,0,0,1|2,0,0]=4 1779 B13R1.18 CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210202 [0,1,0,0,0,1|2,0,0]=4 1780 B13R1.18 CCOCC(=O)c1cccc(c1)O 34a_100121572206_100009813753 [0,1,0,0,0,1|2,0,0]=4 1781 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000210202_100000212080 [0,1,0,0,0,1|2,0,0]=4 1782 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210202 [0,1,0,0,0,1|2,0,0]=4 1783 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000210202_100000739480 [0,1,0,0,0,1|2,0,0]=4 1784 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210202 [0,1,0,0,0,1|2,0,0]=4 1785 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000210202_100000211444 [0,1,0,0,0,1|2,0,0]=4 1786 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210202 [0,1,0,0,0,1|2,0,0]=4 1787 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000210202_100000215616 [0,1,0,0,0,1|2,0,0]=4 1788 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210202 [0,1,0,0,0,1|2,0,0]=4 1789 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100000210202_100009813753 [0,1,0,0,0,1|2,0,0]=4 1790 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210202 [0,1,0,0,0,1|2,0,0]=4 1791 B13R1.18 CCSCC(=O)c1ccnc(c1)Cl 62a_100000210202_100009817076 [0,1,0,0,0,1|2,0,0]=4 1792 B13R1.18 CCSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210202 [0,1,0,0,0,1|2,0,0]=4 1793 B13R1.18 COCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000233755 [0,1,0,0,0,1|2,0,0]=4 1794 B13R1.18 COCCC(=O)c1cccc(c1)C 1458a_100000189346_100000233755 [0,1,0,0,0,1|2,0,0]=4 1795 B13R1.18 COCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000233755 [0,1,0,0,0,1|2,0,0]=4 1796 B13R1.18 COCCC(=O)c1cccc(c1)F 1458a_100000210950_100000233755 [0,1,0,0,0,1|2,0,0]=4 1797 B13R1.18 COCCC(=O)c1cccc(c1)I 1458a_100000184098_100000233755 [0,1,0,0,0,1|2,0,0]=4 1798 B13R1.18 COCCC(=O)c1cccc(c1)O 1458a_100000183914_100000233755 [0,1,0,0,0,1|2,0,0]=4 1799 B13R1.18 CSCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000751147 [0,1,0,0,0,1|2,0,0]=4 1800 B13R1.18 CSCCC(=O)c1cccc(c1)C 1458a_100000189346_100000751147 [0,1,0,0,0,1|2,0,0]=4 1801 B13R1.18 CSCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000751147 [0,1,0,0,0,1|2,0,0]=4 1802 B13R1.18 CSCCC(=O)c1cccc(c1)F 1458a_100000210950_100000751147 [0,1,0,0,0,1|2,0,0]=4 1803 B13R1.18 CSCCC(=O)c1cccc(c1)I 1458a_100000184098_100000751147 [0,1,0,0,0,1|2,0,0]=4 1804 B13R1.18 CSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000751147 [0,1,0,0,0,1|2,0,0]=4 1805 B13R1.18 Cc1cccc(c1)C(=O)CCCF 1458a_100000189346_100011934791 [0,1,0,0,0,1|2,0,0]=4 1806 B13R1.18 Cc1cccc(c1)C(=O)CCCO 1458a_100000189346_100011215043 [0,1,0,0,0,1|2,0,0]=4 1807 B13R1.18 O=C(CCCF)c1cccc(c1)Br 1458a_100000210664_100011934791 [0,1,0,0,0,1|2,0,0]=4 1808 B13R1.18 O=C(CCCF)c1cccc(c1)Cl 1458a_100000210390_100011934791 [0,1,0,0,0,1|2,0,0]=4 1809 B13R1.18 O=C(CCCF)c1cccc(c1)F 1458a_100000210950_100011934791 [0,1,0,0,0,1|2,0,0]=4 1810 B13R1.18 O=C(CCCF)c1cccc(c1)I 1458a_100000184098_100011934791 [0,1,0,0,0,1|2,0,0]=4 1811 B13R1.18 O=C(CCCF)c1cccc(c1)O 1458a_100000183914_100011934791 [0,1,0,0,0,1|2,0,0]=4 1812 B13R1.18 O=C(CCCO)c1cccc(c1)Br 1458a_100000210664_100011215043 [0,1,0,0,0,1|2,0,0]=4 1813 B13R1.18 O=C(CCCO)c1cccc(c1)Cl 1458a_100000210390_100011215043 [0,1,0,0,0,1|2,0,0]=4 1814 B13R1.18 O=C(CCCO)c1cccc(c1)F 1458a_100000210950_100011215043 [0,1,0,0,0,1|2,0,0]=4 1815 B13R1.18 O=C(CCCO)c1cccc(c1)I 1458a_100000184098_100011215043 [0,1,0,0,0,1|2,0,0]=4 1816 B13R1.18 O=C(CCCO)c1cccc(c1)O 1458a_100000183914_100011215043 [0,1,0,0,0,1|2,0,0]=4 1817 B13R1.24 C#CCCCC(=O)c1ccccc1 1458a_100000185807_100000731252 [0,1,0,0,0,1|1,0,1]=4 1818 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [0,1,0,0,0,1|1,0,1]=4 1819 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [0,1,0,0,0,1|1,0,1]=4 1820 B13R1.24 CCC#CCC(=O)c1ccccc1 1458a_100000185807_100009813939 [0,1,0,0,0,1|1,0,1]=4 1821 B13R1.24 CCCCCC(=O)C1=CCCCO1 1458a_100000764163_100000210326 [0,1,0,0,0,1|0,0,2]=4 1822 B13R1.24 CCCCCC(=O)C1=COCCO1 1458a_100000008702_100000210326 [0,1,0,0,0,1|0,0,2]=4 1823 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,1,0,0,0,1|1,0,0]=3 1824 B13R1.24 CCCCNC(=O)C1=CCCCO1 11a_100000102301_100000764163 [0,1,0,0,0,1|0,0,2]=4 1825 B13R1.24 CCCCNC(=O)C1=CCCCO1 1626a_100000102301_100000764163 [0,1,0,0,0,1|0,0,2]=4 1826 B13R1.24 CCCCNC(=O)C1=CCCCO1 240690a_100000102301_100000764163 [0,1,0,0,0,1|0,0,2]=4 1827 B13R1.24 CCCCNC(=O)C1=CCCCO1 527a_100000102301_100000764163 [0,1,0,0,0,1|0,0,2]=4 1828 B13R1.24 CCCCNC(=O)C1=COCCO1 11a_100000102301_100000008702 [0,1,0,0,0,1|0,0,2]=4 1829 B13R1.24 CCCCNC(=O)C1=COCCO1 1626a_100000102301_100000008702 [0,1,0,0,0,1|0,0,2]=4 1830 B13R1.24 CCCCNC(=O)C1=COCCO1 240690a_100000102301_100000008702 [0,1,0,0,0,1|0,0,2]=4 1831 B13R1.24 CCCCNC(=O)C1=COCCO1 527a_100000102301_100000008702 [0,1,0,0,0,1|0,0,2]=4 1832 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,1,0,0,0,1|1,0,0]=3 1833 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,1,0,0,0,1|1,0,0]=3 1834 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,1,0,0,0,1|1,0,0]=3 1835 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,1,0,0,0,1|1,0,0]=3 1836 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [0,1,0,0,0,1|2,0,0]=4 1837 B13R1.24 CCCOCC(=O)c1ccccn1 34a_100000210258_100000027445 [0,1,0,0,0,1|1,0,0]=3 1838 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,1,0,0,0,1|1,0,0]=3 1839 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,1,0,0,0,1|1,0,0]=3 1840 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000027445_100000210303 [0,1,0,0,0,1|1,0,0]=3 1841 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000210303_100000027445 [0,1,0,0,0,1|1,0,0]=3 1842 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000210303_100000757877 [0,1,0,0,0,1|1,0,0]=3 1843 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000757877_100000210303 [0,1,0,0,0,1|1,0,0]=3 1844 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000027454_100000210303 [0,1,0,0,0,1|1,0,0]=3 1845 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000210303_100000027454 [0,1,0,0,0,1|1,0,0]=3 1846 B13R1.24 CCCSCC(=O)c1ncccn1 62a_100000210303_100020636365 [0,1,0,0,0,1|1,0,0]=3 1847 B13R1.24 CCCSCC(=O)c1ncccn1 62a_100020636365_100000210303 [0,1,0,0,0,1|1,0,0]=3 1848 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [0,1,0,0,0,1|2,0,0]=4 1849 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,1,0,0,0,1|1,0,0]=3 1850 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [0,1,0,0,0,1|2,0,0]=4 1851 B13R1.24 CCOCCC(=O)C1=CCCCO1 1458a_100000764163_100011215890 [0,1,0,0,0,1|0,0,2]=4 1852 B13R1.24 CCOCCC(=O)C1=COCCO1 1458a_100000008702_100011215890 [0,1,0,0,0,1|0,0,2]=4 1853 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,1,0,0,0,1|1,0,0]=3 1854 B13R1.24 CCSCCC(=O)C1=CCCCO1 1458a_100000764163_100000757381 [0,1,0,0,0,1|0,0,2]=4 1855 B13R1.24 CCSCCC(=O)C1=COCCO1 1458a_100000008702_100000757381 [0,1,0,0,0,1|0,0,2]=4 1856 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,1,0,0,0,1|1,0,0]=3 1857 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,1,0,0,0,1|1,0,0]=3 1858 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,1,0,0,0,1|1,0,0]=3 1859 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [0,1,0,0,0,1|2,0,0]=4 1860 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [0,1,0,0,0,1|2,0,0]=4 1861 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [0,1,0,0,0,1|2,0,0]=4 1862 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,1,0,0,0,1|1,0,0]=3 1863 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,1,0,0,0,1|1,0,0]=3 1864 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [0,1,0,0,0,1|2,0,0]=4 1865 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [0,1,0,0,0,1|2,0,0]=4 1866 B13R1.24 CNCCNC(=O)c1ccncc1 2230a_200011198449_200000210301 [0,1,0,0,0,1|2,0,0]=4 1867 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [0,1,0,0,0,1|2,0,0]=4 1868 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [0,1,0,0,0,1|2,0,0]=4 1869 B13R1.24 COCCCC(=O)C1=CCCCO1 1458a_100000764163_100000740836 [0,1,0,0,0,1|0,0,2]=4 1870 B13R1.24 COCCCC(=O)C1=COCCO1 1458a_100000008702_100000740836 [0,1,0,0,0,1|0,0,2]=4 1871 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [0,1,0,0,0,1|1,0,0]=3 1872 B13R1.24 COCCNC(=O)c1ccccc1 1626a_100000209980_100000185807 [0,1,0,0,0,1|2,0,0]=4 1873 B13R1.24 COCCNC(=O)c1ccccc1 240690a_100000209980_100000185807 [0,1,0,0,0,1|2,0,0]=4 1874 B13R1.24 COCCNC(=O)c1ccccc1 34a_200000158897_200000210301 [0,1,0,0,0,1|2,0,0]=4 1875 B13R1.24 COCCNC(=O)c1ccccc1 527a_100000209980_100000185807 [0,1,0,0,0,1|2,0,0]=4 1876 B13R1.24 COCCNC(=O)c1ccccc1 7a_200000158897_200000210301 [0,1,0,0,0,1|2,0,0]=4 1877 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [0,1,0,0,0,1|2,0,0]=4 1878 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [0,1,0,0,0,1|2,0,0]=4 1879 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000211460_100000766300 [0,1,0,0,0,1|2,0,0]=4 1880 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000766300_100000211460 [0,1,0,0,0,1|2,0,0]=4 1881 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000027445_100000766300 [0,1,0,0,0,1|2,0,0]=4 1882 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000766300_100000027445 [0,1,0,0,0,1|2,0,0]=4 1883 B13R1.24 COCSCC(=O)c1cccnc1 62a_100000757877_100000766300 [0,1,0,0,0,1|2,0,0]=4 1884 B13R1.24 COCSCC(=O)c1cccnc1 62a_100000766300_100000757877 [0,1,0,0,0,1|2,0,0]=4 1885 B13R1.24 COCSCC(=O)c1ccncc1 62a_100000027454_100000766300 [0,1,0,0,0,1|2,0,0]=4 1886 B13R1.24 COCSCC(=O)c1ccncc1 62a_100000766300_100000027454 [0,1,0,0,0,1|2,0,0]=4 1887 B13R1.24 COCSCC(=O)c1ncccn1 62a_100000766300_100020636365 [0,1,0,0,0,1|2,0,0]=4 1888 B13R1.24 COCSCC(=O)c1ncccn1 62a_100020636365_100000766300 [0,1,0,0,0,1|2,0,0]=4 1889 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [0,1,0,0,0,1|1,0,0]=3 1890 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [0,1,0,0,0,1|1,0,0]=3 1891 B13R1.24 CSCCNC(=O)c1ccccc1 11a_100020590264_100000185807 [0,1,0,0,0,1|2,0,0]=4 1892 B13R1.24 CSCCNC(=O)c1ccccc1 1626a_100020590264_100000185807 [0,1,0,0,0,1|2,0,0]=4 1893 B13R1.24 CSCCNC(=O)c1ccccc1 240690a_100020590264_100000185807 [0,1,0,0,0,1|2,0,0]=4 1894 B13R1.24 CSCCNC(=O)c1ccccc1 527a_100020590264_100000185807 [0,1,0,0,0,1|2,0,0]=4 1895 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200000210301_200011215302 [0,1,0,0,0,1|2,0,0]=4 1896 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200011215302_200000210301 [0,1,0,0,0,1|2,0,0]=4 1897 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [0,1,0,0,0,1|2,0,0]=4 1898 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [0,1,0,0,0,1|2,0,0]=4 1899 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100000211460_100011218213 [0,1,0,0,0,1|2,0,0]=4 1900 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100011218213_100000211460 [0,1,0,0,0,1|2,0,0]=4 1901 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100000027445_100011218213 [0,1,0,0,0,1|2,0,0]=4 1902 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100011218213_100000027445 [0,1,0,0,0,1|2,0,0]=4 1903 B13R1.24 CSCSCC(=O)c1cccnc1 62a_100000757877_100011218213 [0,1,0,0,0,1|2,0,0]=4 1904 B13R1.24 CSCSCC(=O)c1cccnc1 62a_100011218213_100000757877 [0,1,0,0,0,1|2,0,0]=4 1905 B13R1.24 CSCSCC(=O)c1ccncc1 62a_100000027454_100011218213 [0,1,0,0,0,1|2,0,0]=4 1906 B13R1.24 CSCSCC(=O)c1ccncc1 62a_100011218213_100000027454 [0,1,0,0,0,1|2,0,0]=4 1907 B13R1.24 CSCSCC(=O)c1ncccn1 62a_100011218213_100020636365 [0,1,0,0,0,1|2,0,0]=4 1908 B13R1.24 CSCSCC(=O)c1ncccn1 62a_100020636365_100011218213 [0,1,0,0,0,1|2,0,0]=4 1909 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [0,1,0,0,0,1|1,0,1]=4 1910 B13R1.24 NCCOCC(=O)c1ccccn1 34a_100000210304_100000027445 [0,1,0,0,0,1|2,0,0]=4 1911 B13R1.24 O=C(CCCCF)C1=CCCCO1 1458a_100000764163_100000729493 [0,1,0,0,0,1|0,0,2]=4 1912 B13R1.24 O=C(CCCCF)C1=COCCO1 1458a_100000008702_100000729493 [0,1,0,0,0,1|0,0,2]=4 1913 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [0,1,0,0,0,1|1,0,0]=3 1914 B13R1.24 O=C(CCCCO)C1=CCCCO1 1458a_100000764163_100000210776 [0,1,0,0,0,1|0,0,2]=4 1915 B13R1.24 O=C(CCCCO)C1=COCCO1 1458a_100000008702_100000210776 [0,1,0,0,0,1|0,0,2]=4 1916 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [0,1,0,0,0,1|1,0,0]=3 1917 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [0,1,0,0,0,1|2,0,0]=4 1918 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [0,1,0,0,0,1|2,0,0]=4 1919 B13R1.24 O=C(CNCCF)c1ccccn1 34a_100000724931_100000027445 [0,1,0,0,0,1|2,0,0]=4 1920 B13R1.24 O=C(CNCCO)c1ccccn1 34a_100016990907_100000027445 [0,1,0,0,0,1|2,0,0]=4 1921 B13R1.24 O=C(COCCBr)c1ccccn1 34a_100000211926_100000027445 [0,1,0,0,0,1|2,0,0]=4 1922 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [0,1,0,0,0,1|2,0,0]=4 1923 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [0,1,0,0,0,1|2,0,0]=4 1924 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100000027445_100011217306 [0,1,0,0,0,1|2,0,0]=4 1925 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100011217306_100000027445 [0,1,0,0,0,1|2,0,0]=4 1926 B13R1.24 O=C(CSCCF)c1cccnc1 62a_100000757877_100011217306 [0,1,0,0,0,1|2,0,0]=4 1927 B13R1.24 O=C(CSCCF)c1cccnc1 62a_100011217306_100000757877 [0,1,0,0,0,1|2,0,0]=4 1928 B13R1.24 O=C(CSCCF)c1ccncc1 62a_100000027454_100011217306 [0,1,0,0,0,1|2,0,0]=4 1929 B13R1.24 O=C(CSCCF)c1ccncc1 62a_100011217306_100000027454 [0,1,0,0,0,1|2,0,0]=4 1930 B13R1.24 O=C(CSCCF)c1ncccn1 62a_100011217306_100020636365 [0,1,0,0,0,1|2,0,0]=4 1931 B13R1.24 O=C(CSCCF)c1ncccn1 62a_100020636365_100011217306 [0,1,0,0,0,1|2,0,0]=4 1932 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [0,1,0,0,0,1|2,0,0]=4 1933 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [0,1,0,0,0,1|2,0,0]=4 1934 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000027445_100000211926 [0,1,0,0,0,1|2,0,0]=4 1935 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000211926_100000027445 [0,1,0,0,0,1|2,0,0]=4 1936 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000211926_100000757877 [0,1,0,0,0,1|2,0,0]=4 1937 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000757877_100000211926 [0,1,0,0,0,1|2,0,0]=4 1938 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000027454_100000211926 [0,1,0,0,0,1|2,0,0]=4 1939 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000211926_100000027454 [0,1,0,0,0,1|2,0,0]=4 1940 B13R1.24 O=C(CSCCO)c1ncccn1 62a_100000211926_100020636365 [0,1,0,0,0,1|2,0,0]=4 1941 B13R1.24 O=C(CSCCO)c1ncccn1 62a_100020636365_100000211926 [0,1,0,0,0,1|2,0,0]=4 1942 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [0,1,0,0,0,1|2,0,0]=4 1943 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [0,1,0,0,0,1|2,0,0]=4 1944 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [0,1,0,0,0,1|2,0,0]=4 1945 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [0,1,0,0,0,1|2,0,0]=4 1946 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [0,1,0,0,0,1|2,0,0]=4 1947 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [0,1,0,0,0,1|2,0,0]=4 1948 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [0,1,0,0,0,1|2,0,0]=4 1949 B13R1.24 [13CH3]NCCNC(=O)c1ccncc1 2230a_200011198449_200025704644 [0,1,0,0,0,1|2,0,0]=4 1950 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 34a_200000158897_200025704644 [0,1,0,0,0,1|2,0,0]=4 1951 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 7a_200000158897_200025704644 [0,1,0,0,0,1|2,0,0]=4 1952 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [0,1,0,0,0,1|2,0,0]=4 1953 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [0,1,0,0,0,1|1,0,0]=3 1954 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [0,1,0,0,0,1|1,0,0]=3 1955 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200011215302_200025704644 [0,1,0,0,0,1|2,0,0]=4 1956 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200025704644_200011215302 [0,1,0,0,0,1|2,0,0]=4 1957 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [0,1,0,0,0,1|2,0,0]=4 1958 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [0,1,0,0,0,1|2,0,0]=4 1959 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,1,0,0,0,1|1,0,1]=4 1960 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,1,0,0,0,1|1,0,1]=4 1961 B13R1.45 CC(C)CCC(=O)C1=CCCCO1 1458a_100000764163_100000210312 [0,1,0,0,0,1|0,0,2]=4 1962 B13R1.45 CC(C)CCC(=O)C1=COCCO1 1458a_100000008702_100000210312 [0,1,0,0,0,1|0,0,2]=4 1963 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [0,1,0,0,0,1|1,0,0]=3 1964 B13R1.45 CC(C)CNC(=O)c1ccccc1 11a_100000210953_100000185807 [0,1,0,0,0,1|2,0,0]=4 1965 B13R1.45 CC(C)CNC(=O)c1ccccc1 1626a_100000210953_100000185807 [0,1,0,0,0,1|2,0,0]=4 1966 B13R1.45 CC(C)CNC(=O)c1ccccc1 240690a_100000210953_100000185807 [0,1,0,0,0,1|2,0,0]=4 1967 B13R1.45 CC(C)CNC(=O)c1ccccc1 527a_100000210953_100000185807 [0,1,0,0,0,1|2,0,0]=4 1968 B13R1.45 CC(C)NCC(=O)c1ccccn1 34a_100138425928_100000027445 [0,1,0,0,0,1|2,0,0]=4 1969 B13R1.45 CC(C)OCC(=O)c1ccccn1 34a_100000212225_100000027445 [0,1,0,0,0,1|2,0,0]=4 1970 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000210206_100000211460 [0,1,0,0,0,1|2,0,0]=4 1971 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000211460_100000210206 [0,1,0,0,0,1|2,0,0]=4 1972 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000027445_100000210206 [0,1,0,0,0,1|2,0,0]=4 1973 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000210206_100000027445 [0,1,0,0,0,1|2,0,0]=4 1974 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000210206_100000757877 [0,1,0,0,0,1|2,0,0]=4 1975 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000757877_100000210206 [0,1,0,0,0,1|2,0,0]=4 1976 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000027454_100000210206 [0,1,0,0,0,1|2,0,0]=4 1977 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000210206_100000027454 [0,1,0,0,0,1|2,0,0]=4 1978 B13R1.45 CC(C)SCC(=O)c1ncccn1 62a_100000210206_100020636365 [0,1,0,0,0,1|2,0,0]=4 1979 B13R1.45 CC(C)SCC(=O)c1ncccn1 62a_100020636365_100000210206 [0,1,0,0,0,1|2,0,0]=4 1980 B13R1.45 CC(O)CCC(=O)C1=CCCCO1 1458a_100000764163_100012276601 [0,1,0,0,0,1|0,0,2]=4 1981 B13R1.45 CC(O)CCC(=O)C1=COCCO1 1458a_100000008702_100012276601 [0,1,0,0,0,1|0,0,2]=4 1982 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,1,0,0,0,1|1,0,0]=3 1983 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [0,1,0,0,0,1|2,0,0]=4 1984 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [0,1,0,0,0,1|2,0,0]=4 1985 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [0,1,0,0,0,1|2,0,0]=4 1986 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [0,1,0,0,0,1|2,0,0]=4 1987 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [0,1,0,0,0,1|2,0,0]=4 1988 B13R1.47 CC(CCO)C(=O)c1ccccc1 1458a_100000185807_100009893172 [0,1,0,0,0,1|2,0,0]=4 1989 B13R1.47 CCCC(C)C(=O)C1=CCCCO1 1458a_100000764163_100000766640 [0,1,0,0,0,1|0,0,2]=4 1990 B13R1.47 CCCC(C)C(=O)C1=COCCO1 1458a_100000008702_100000766640 [0,1,0,0,0,1|0,0,2]=4 1991 B13R1.47 CCCC(C)C(=O)c1ccccc1 1458a_100000185807_100000766640 [0,1,0,0,0,1|1,0,0]=3 1992 B13R1.47 CCCN(C)C(=O)c1ccccc1 11a_100000747261_100000185807 [0,1,0,0,0,1|2,0,0]=4 1993 B13R1.47 CCCN(C)C(=O)c1ccccc1 1626a_100000747261_100000185807 [0,1,0,0,0,1|2,0,0]=4 1994 B13R1.47 CCCN(C)C(=O)c1ccccc1 240690a_100000747261_100000185807 [0,1,0,0,0,1|2,0,0]=4 1995 B13R1.47 CCCN(C)C(=O)c1ccccc1 527a_100000747261_100000185807 [0,1,0,0,0,1|2,0,0]=4 1996 B13R1.47 CCNC(C)C(=O)c1ccccc1 2230a_100015525214_100000239700 [0,1,0,0,0,1|2,0,0]=4 1997 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000210202_100000239700 [0,1,0,0,0,1|2,0,0]=4 1998 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210202 [0,1,0,0,0,1|2,0,0]=4 1999 B13R1.47 COCC(C)C(=O)c1ccccc1 1458a_100000185807_100000765312 [0,1,0,0,0,1|2,0,0]=4 2000 B13R1.674 CCCCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210211 [0,1,0,0,0,1|0,0,2]=4 2001 B13R1.674 CCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210211 [0,1,0,0,0,1|1,0,0]=3 2002 B13R1.674 CCCCC(=O)c1ccccc1C 1458a_100000212026_100000210211 [0,1,0,0,0,1|1,0,0]=3 2003 B13R1.674 CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210211 [0,1,0,0,0,1|1,0,0]=3 2004 B13R1.674 CCCCC(=O)c1ccccc1F 1458a_100000188656_100000210211 [0,1,0,0,0,1|1,0,0]=3 2005 B13R1.674 CCCCC(=O)c1ccccc1I 1458a_100000187884_100000210211 [0,1,0,0,0,1|1,0,0]=3 2006 B13R1.674 CCCCC(=O)c1ccccc1O 1458a_100015234032_100000210211 [0,1,0,0,0,1|1,0,0]=3 2007 B13R1.674 CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210211 [0,1,0,0,0,1|1,0,0]=3 2008 B13R1.674 CCCNC(=O)c1ccccc1Br 11a_100020643023_100000188424 [0,1,0,0,0,1|2,0,0]=4 2009 B13R1.674 CCCNC(=O)c1ccccc1Br 1626a_100020643023_100000188424 [0,1,0,0,0,1|2,0,0]=4 2010 B13R1.674 CCCNC(=O)c1ccccc1Br 240690a_100020643023_100000188424 [0,1,0,0,0,1|2,0,0]=4 2011 B13R1.674 CCCNC(=O)c1ccccc1Br 527a_100020643023_100000188424 [0,1,0,0,0,1|2,0,0]=4 2012 B13R1.674 CCCNC(=O)c1ccccc1C 11a_100020643023_100000212026 [0,1,0,0,0,1|2,0,0]=4 2013 B13R1.674 CCCNC(=O)c1ccccc1C 1626a_100020643023_100000212026 [0,1,0,0,0,1|2,0,0]=4 2014 B13R1.674 CCCNC(=O)c1ccccc1C 240690a_100020643023_100000212026 [0,1,0,0,0,1|2,0,0]=4 2015 B13R1.674 CCCNC(=O)c1ccccc1C 527a_100020643023_100000212026 [0,1,0,0,0,1|2,0,0]=4 2016 B13R1.674 CCCNC(=O)c1ccccc1Cl 11a_100020643023_100000185844 [0,1,0,0,0,1|2,0,0]=4 2017 B13R1.674 CCCNC(=O)c1ccccc1Cl 1626a_100020643023_100000185844 [0,1,0,0,0,1|2,0,0]=4 2018 B13R1.674 CCCNC(=O)c1ccccc1Cl 240690a_100020643023_100000185844 [0,1,0,0,0,1|2,0,0]=4 2019 B13R1.674 CCCNC(=O)c1ccccc1Cl 527a_100020643023_100000185844 [0,1,0,0,0,1|2,0,0]=4 2020 B13R1.674 CCCNC(=O)c1ccccc1F 11a_100020643023_100000188656 [0,1,0,0,0,1|2,0,0]=4 2021 B13R1.674 CCCNC(=O)c1ccccc1F 1626a_100020643023_100000188656 [0,1,0,0,0,1|2,0,0]=4 2022 B13R1.674 CCCNC(=O)c1ccccc1F 240690a_100020643023_100000188656 [0,1,0,0,0,1|2,0,0]=4 2023 B13R1.674 CCCNC(=O)c1ccccc1F 527a_100020643023_100000188656 [0,1,0,0,0,1|2,0,0]=4 2024 B13R1.674 CCCNC(=O)c1ccccc1I 11a_100020643023_100000187884 [0,1,0,0,0,1|2,0,0]=4 2025 B13R1.674 CCCNC(=O)c1ccccc1I 1626a_100020643023_100000187884 [0,1,0,0,0,1|2,0,0]=4 2026 B13R1.674 CCCNC(=O)c1ccccc1I 240690a_100020643023_100000187884 [0,1,0,0,0,1|2,0,0]=4 2027 B13R1.674 CCCNC(=O)c1ccccc1I 527a_100020643023_100000187884 [0,1,0,0,0,1|2,0,0]=4 2028 B13R1.674 CCCNC(=O)c1ccccc1O 240690a_100020643023_100015234032 [0,1,0,0,0,1|2,0,0]=4 2029 B13R1.674 CCCNC(=O)c1ccccc1O 271570a_203496583355_200000152266 [0,1,0,0,0,1|2,0,0]=4 2030 B13R1.674 CCCNC(=O)c1ccccc1[O-] 1626a_100020643023_100009911694 [0,1,0,0,0,1|2,0,0]=4 2031 B13R1.674 CCCNC(=O)c1ccccc1[O-] 240690a_100020643023_100009911694 [0,1,0,0,0,1|2,0,0]=4 2032 B13R1.674 CCCNC(=O)c1ccccc1[O-] 527a_100020643023_100009911694 [0,1,0,0,0,1|2,0,0]=4 2033 B13R1.674 CCCNC(=O)c1cccnc1O 271570a_203496583355_100000161721 [0,1,0,0,0,1|2,0,0]=4 2034 B13R1.674 CCNCC(=O)c1ccccc1C 2230a_100015525214_100000741374 [0,1,0,0,0,1|2,0,0]=4 2035 B13R1.674 CCOCC(=O)c1ccccc1Br 34a_100121572206_100000199116 [0,1,0,0,0,1|2,0,0]=4 2036 B13R1.674 CCOCC(=O)c1ccccc1C 34a_100121572206_100000741374 [0,1,0,0,0,1|2,0,0]=4 2037 B13R1.674 CCOCC(=O)c1ccccc1Cl 34a_100121572206_100000211432 [0,1,0,0,0,1|2,0,0]=4 2038 B13R1.674 CCOCC(=O)c1ccccc1F 34a_100121572206_100000204681 [0,1,0,0,0,1|2,0,0]=4 2039 B13R1.674 CCSCC(=O)c1ccccc1Br 62a_100000199116_100000210202 [0,1,0,0,0,1|2,0,0]=4 2040 B13R1.674 CCSCC(=O)c1ccccc1C 62a_100000210202_100000741374 [0,1,0,0,0,1|2,0,0]=4 2041 B13R1.674 CCSCC(=O)c1ccccc1C 62a_100000741374_100000210202 [0,1,0,0,0,1|2,0,0]=4 2042 B13R1.674 CCSCC(=O)c1ccccc1Cl 62a_100000210202_100000211432 [0,1,0,0,0,1|2,0,0]=4 2043 B13R1.674 CCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210202 [0,1,0,0,0,1|2,0,0]=4 2044 B13R1.674 CCSCC(=O)c1ccccc1F 62a_100000204681_100000210202 [0,1,0,0,0,1|2,0,0]=4 2045 B13R1.674 CCSCC(=O)c1ccccc1F 62a_100000210202_100000204681 [0,1,0,0,0,1|2,0,0]=4 2046 B13R1.674 CCSCC(=O)c1ccccc1O 62a_100000188908_100000210202 [0,1,0,0,0,1|2,0,0]=4 2047 B13R1.674 CCSCC(=O)c1ccccc1O 62a_100000210202_100000188908 [0,1,0,0,0,1|2,0,0]=4 2048 B13R1.674 CNCCC(=O)c1ccccc1F 2230a_106832991635_100000086012 [0,1,0,0,0,1|2,0,0]=4 2049 B13R1.674 CNCCC(=O)c1ccccc1F 7a_106832991635_100000086012 [0,1,0,0,0,1|2,0,0]=4 2050 B13R1.674 CNCCC(=O)c1ccccc1O 7a_106832991635_100009873196 [0,1,0,0,0,1|2,0,0]=4 2051 B13R1.674 COCCC(=O)c1ccccc1Br 1458a_100000188424_100000233755 [0,1,0,0,0,1|2,0,0]=4 2052 B13R1.674 COCCC(=O)c1ccccc1C 1458a_100000212026_100000233755 [0,1,0,0,0,1|2,0,0]=4 2053 B13R1.674 COCCC(=O)c1ccccc1Cl 1458a_100000185844_100000233755 [0,1,0,0,0,1|2,0,0]=4 2054 B13R1.674 COCCC(=O)c1ccccc1F 1458a_100000188656_100000233755 [0,1,0,0,0,1|2,0,0]=4 2055 B13R1.674 COCCC(=O)c1ccccc1I 1458a_100000187884_100000233755 [0,1,0,0,0,1|2,0,0]=4 2056 B13R1.674 COCCC(=O)c1ccccc1O 1458a_100015234032_100000233755 [0,1,0,0,0,1|2,0,0]=4 2057 B13R1.674 COCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000233755 [0,1,0,0,0,1|2,0,0]=4 2058 B13R1.674 CSCCC(=O)c1ccccc1Br 1458a_100000188424_100000751147 [0,1,0,0,0,1|2,0,0]=4 2059 B13R1.674 CSCCC(=O)c1ccccc1C 1458a_100000212026_100000751147 [0,1,0,0,0,1|2,0,0]=4 2060 B13R1.674 CSCCC(=O)c1ccccc1Cl 1458a_100000185844_100000751147 [0,1,0,0,0,1|2,0,0]=4 2061 B13R1.674 CSCCC(=O)c1ccccc1F 1458a_100000188656_100000751147 [0,1,0,0,0,1|2,0,0]=4 2062 B13R1.674 CSCCC(=O)c1ccccc1F 62a_100000086012_200000210301 [0,1,0,0,0,1|2,0,0]=4 2063 B13R1.674 CSCCC(=O)c1ccccc1F 62a_200000210301_100000086012 [0,1,0,0,0,1|2,0,0]=4 2064 B13R1.674 CSCCC(=O)c1ccccc1I 1458a_100000187884_100000751147 [0,1,0,0,0,1|2,0,0]=4 2065 B13R1.674 CSCCC(=O)c1ccccc1O 1458a_100015234032_100000751147 [0,1,0,0,0,1|2,0,0]=4 2066 B13R1.674 CSCCC(=O)c1ccccc1O 62a_200000210301_100009873196 [0,1,0,0,0,1|2,0,0]=4 2067 B13R1.674 CSCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000751147 [0,1,0,0,0,1|2,0,0]=4 2068 B13R1.674 Cc1ccccc1C(=O)CCCF 1458a_100000212026_100011934791 [0,1,0,0,0,1|2,0,0]=4 2069 B13R1.674 Cc1ccccc1C(=O)CCCO 1458a_100000212026_100011215043 [0,1,0,0,0,1|2,0,0]=4 2070 B13R1.674 O=C(CCCF)c1ccccc1Br 1458a_100000188424_100011934791 [0,1,0,0,0,1|2,0,0]=4 2071 B13R1.674 O=C(CCCF)c1ccccc1Cl 1458a_100000185844_100011934791 [0,1,0,0,0,1|2,0,0]=4 2072 B13R1.674 O=C(CCCF)c1ccccc1F 1458a_100000188656_100011934791 [0,1,0,0,0,1|2,0,0]=4 2073 B13R1.674 O=C(CCCF)c1ccccc1I 1458a_100000187884_100011934791 [0,1,0,0,0,1|2,0,0]=4 2074 B13R1.674 O=C(CCCF)c1ccccc1O 1458a_100015234032_100011934791 [0,1,0,0,0,1|2,0,0]=4 2075 B13R1.674 O=C(CCCF)c1ccccc1[O-] 1458a_100009911694_100011934791 [0,1,0,0,0,1|2,0,0]=4 2076 B13R1.674 O=C(CCCO)c1ccccc1Br 1458a_100000188424_100011215043 [0,1,0,0,0,1|2,0,0]=4 2077 B13R1.674 O=C(CCCO)c1ccccc1Cl 1458a_100000185844_100011215043 [0,1,0,0,0,1|2,0,0]=4 2078 B13R1.674 O=C(CCCO)c1ccccc1F 1458a_100000188656_100011215043 [0,1,0,0,0,1|2,0,0]=4 2079 B13R1.674 O=C(CCCO)c1ccccc1I 1458a_100000187884_100011215043 [0,1,0,0,0,1|2,0,0]=4 2080 B13R1.674 O=C(CCCO)c1ccccc1O 1458a_100015234032_100011215043 [0,1,0,0,0,1|2,0,0]=4 2081 B13R1.674 O=C(CCCO)c1ccccc1[O-] 1458a_100009911694_100011215043 [0,1,0,0,0,1|2,0,0]=4 2082 B13R1.674 [13CH3]SCCC(=O)c1ccccc1F 62a_100000086012_200025704644 [0,1,0,0,0,1|2,0,0]=4 2083 B13R1.674 [13CH3]SCCC(=O)c1ccccc1F 62a_200025704644_100000086012 [0,1,0,0,0,1|2,0,0]=4 2084 B13R1.674 [13CH3]SCCC(=O)c1ccccc1O 62a_200025704644_100009873196 [0,1,0,0,0,1|2,0,0]=4 2085 B13R1.43 CCCCC(=Cc1cc(cs1)C)Br 271570a_206741709834_100009876951 [0,1,0,0,0,1|1,1,0]=4 2086 B13R1.43 CCCCC(=Cc1ccc(s1)C)Br 271570a_206741709834_100000761539 [0,1,0,0,0,1|1,1,0]=4 2087 B13R1.43 CCCCC(=O)Cc1cc(cs1)Br 1458a_100000210183_100000746031 [0,1,0,0,0,1|0,1,0]=3 2088 B13R1.43 CCCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210211 [0,1,0,0,0,1|0,1,0]=3 2089 B13R1.43 CCCCC(=O)Cc1cc(no1)Br 1458a_100000210183_100000709089 [0,1,0,0,0,1|1,0,0]=3 2090 B13R1.43 CCCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210211 [0,1,0,0,0,1|1,0,0]=3 2091 B13R1.43 CCCCC(=O)Cc1cc(no1)C 1458a_100000210183_100000707947 [0,1,0,0,0,1|1,0,0]=3 2092 B13R1.43 CCCCC(=O)Cc1cc(on1)C 1458a_100000210183_100000199038 [0,1,0,0,0,1|2,0,0]=4 2093 B13R1.43 CCCCC(=O)Cc1ccc(s1)Br 1458a_100000210183_100000708592 [0,1,0,0,0,1|0,1,0]=3 2094 B13R1.43 CCCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210211 [0,1,0,0,0,1|0,1,0]=3 2095 B13R1.43 CCCCC(=O)Cc1ccc(s1)Cl 1458a_100000210183_100000185097 [0,1,0,0,0,1|0,1,0]=3 2096 B13R1.43 CCCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210211 [0,1,0,0,0,1|0,1,0]=3 2097 B13R1.43 CCCCC(=O)Cc1ccn(n1)C 1458a_100000210183_100000726502 [0,1,0,0,0,1|2,0,0]=4 2098 B13R1.43 CCCCC(=O)Cc1cn(cn1)C 1458a_100000210183_100000717665 [0,1,0,0,0,1|2,0,0]=4 2099 B13R1.43 CCCCC(=O)Cc1cn(cn1)C 1458a_100011512828_100000210211 [0,1,0,0,0,1|2,0,0]=4 2100 B13R1.43 CCCCC(=O)Cc1cnc(s1)Br 1458a_100000210183_100000717027 [0,1,0,0,0,1|1,1,0]=4 2101 B13R1.43 CCCCC(=O)Cc1cnc(s1)C 1458a_100000210183_100020635045 [0,1,0,0,0,1|1,1,0]=4 2102 B13R1.43 CCCCC(=O)Cc1cnc(s1)Cl 1458a_100000210183_100000058068 [0,1,0,0,0,1|1,1,0]=4 2103 B13R1.43 CCCCC(=O)Cc1csc(n1)C 1458a_100000184407_100000210211 [0,1,0,0,0,1|2,0,0]=4 2104 B13R1.43 CCCCC(=O)Cc1csc(n1)C 1458a_100000210183_100015186478 [0,1,0,0,0,1|2,0,0]=4 2105 B13R1.43 CCCCC(=O)Cc1csc(n1)Cl 1458a_100000210183_100000024076 [0,1,0,0,0,1|2,0,0]=4 2106 B13R1.43 CCCCC(=O)Cc1nc(no1)C 1458a_100000210183_100000735555 [0,1,0,0,0,1|2,0,0]=4 2107 B13R1.43 CCCCC(=O)Cc1nc(no1)C 1458a_100011441805_100000210211 [0,1,0,0,0,1|2,0,0]=4 2108 B13R1.43 CCCCC(=O)Cc1nnc(o1)C 1458a_100000210183_100000181450 [0,1,0,0,0,1|2,0,0]=4 2109 B13R1.43 CCCCC(=O)Cn1cc(cn1)Br 1458a_100000238729_100000210211 [0,1,0,0,0,1|2,0,0]=4 2110 B13R1.43 CCCCC(=O)Cn1cc(cn1)C 1458a_100000743463_100000210211 [0,1,0,0,0,1|2,0,0]=4 2111 B13R1.43 CCCCC(=O)Cn1cc(cn1)Cl 1458a_100000759256_100000210211 [0,1,0,0,0,1|2,0,0]=4 2112 B13R1.43 CCCCC(=O)Cn1cc(cn1)I 1458a_100012072407_100000210211 [0,1,0,0,0,1|2,0,0]=4 2113 B13R1.43 CCCCC(=O)Cn1ccc(n1)C 1458a_100000238720_100000210211 [0,1,0,0,0,1|2,0,0]=4 2114 B13R1.43 CCCCN(C)Cc1cc(co1)Br 270004a_100000207549_100000747035 [0,1,0,0,0,1|2,0,0]=4 2115 B13R1.43 CCCCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210211 [0,1,0,0,0,1|2,0,0]=4 2116 B13R1.43 CCCCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000210211 [0,1,0,0,0,1|2,0,0]=4 2117 B13R1.43 CCCCN(C)Cc1ccc(o1)Br 270004a_100000207549_100000185145 [0,1,0,0,0,1|2,0,0]=4 2118 B13R1.43 CCCCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210211 [0,1,0,0,0,1|2,0,0]=4 2119 B13R1.43 CCCCN(C)Cc1ccc(o1)C 269982a_100000184526_100000210211 [0,1,0,0,0,1|2,0,0]=4 2120 B13R1.43 CCCCN(C)Cc1ccc(o1)C 270004a_100000207549_100000183696 [0,1,0,0,0,1|2,0,0]=4 2121 B13R1.43 CCCCN(C)Cc1ccc(o1)C 34a_100000184526_100000210210 [0,1,0,0,0,1|2,0,0]=4 2122 B13R1.43 CCCCN(C)Cc1ccc(o1)Cl 270004a_100000207549_100000188459 [0,1,0,0,0,1|2,0,0]=4 2123 B13R1.43 CCCNC(=O)Cc1cc(cs1)Br 11a_100020643023_100011542370 [0,1,0,0,0,1|1,1,0]=4 2124 B13R1.43 CCCNC(=O)Cc1cc(cs1)Br 1626a_100020643023_100011542370 [0,1,0,0,0,1|1,1,0]=4 2125 B13R1.43 CCCNC(=O)Cc1cc(cs1)Br 240690a_100020643023_100011542370 [0,1,0,0,0,1|1,1,0]=4 2126 B13R1.43 CCCNC(=O)Cc1cc(no1)C 11a_100020643023_100000037866 [0,1,0,0,0,1|2,0,0]=4 2127 B13R1.43 CCCNC(=O)Cc1cc(no1)C 1626a_100020643023_100000037866 [0,1,0,0,0,1|2,0,0]=4 2128 B13R1.43 CCCNC(=O)Cc1cc(no1)C 240690a_100020643023_100000037866 [0,1,0,0,0,1|2,0,0]=4 2129 B13R1.43 CCCNC(=O)Cc1ccc(s1)Br 11a_100020643023_100000238643 [0,1,0,0,0,1|1,1,0]=4 2130 B13R1.43 CCCNC(=O)Cc1ccc(s1)Br 1626a_100020643023_100000238643 [0,1,0,0,0,1|1,1,0]=4 2131 B13R1.43 CCCNC(=O)Cc1ccc(s1)Cl 11a_100020643023_100000238644 [0,1,0,0,0,1|1,1,0]=4 2132 B13R1.43 CCCNC(=O)Cc1ccc(s1)Cl 1626a_100020643023_100000238644 [0,1,0,0,0,1|1,1,0]=4 2133 B13R1.43 CCCNC(=O)Cc1ccc(s1)Cl 240690a_100020643023_100000238644 [0,1,0,0,0,1|1,1,0]=4 2134 B13R1.43 CCOCC(=O)Cc1cc(cs1)Br 1458a_100000211967_100000746031 [0,1,0,0,0,1|1,1,0]=4 2135 B13R1.43 CCOCC(=O)Cc1cc(no1)Br 1458a_100000211967_100000709089 [0,1,0,0,0,1|2,0,0]=4 2136 B13R1.43 CCOCC(=O)Cc1cc(no1)C 1458a_100000211967_100000707947 [0,1,0,0,0,1|2,0,0]=4 2137 B13R1.43 CCOCC(=O)Cc1ccc(s1)Br 1458a_100000211967_100000708592 [0,1,0,0,0,1|1,1,0]=4 2138 B13R1.43 CCOCC(=O)Cc1ccc(s1)Cl 1458a_100000211967_100000185097 [0,1,0,0,0,1|1,1,0]=4 2139 B13R1.43 CCSCC(=O)Cc1cc(cs1)Br 1458a_100000230394_100000746031 [0,1,0,0,0,1|1,1,0]=4 2140 B13R1.43 CCSCC(=O)Cc1cc(no1)Br 1458a_100000230394_100000709089 [0,1,0,0,0,1|2,0,0]=4 2141 B13R1.43 CCSCC(=O)Cc1cc(no1)C 1458a_100000230394_100000707947 [0,1,0,0,0,1|2,0,0]=4 2142 B13R1.43 CCSCC(=O)Cc1ccc(s1)Br 1458a_100000230394_100000708592 [0,1,0,0,0,1|1,1,0]=4 2143 B13R1.43 CCSCC(=O)Cc1ccc(s1)Cl 1458a_100000230394_100000185097 [0,1,0,0,0,1|1,1,0]=4 2144 B13R1.43 COCCC(=O)Cc1cc(cs1)Br 1458a_100000749529_100000746031 [0,1,0,0,0,1|1,1,0]=4 2145 B13R1.43 COCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000233755 [0,1,0,0,0,1|1,1,0]=4 2146 B13R1.43 COCCC(=O)Cc1cc(no1)Br 1458a_100000749529_100000709089 [0,1,0,0,0,1|2,0,0]=4 2147 B13R1.43 COCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000233755 [0,1,0,0,0,1|2,0,0]=4 2148 B13R1.43 COCCC(=O)Cc1cc(no1)C 1458a_100000749529_100000707947 [0,1,0,0,0,1|2,0,0]=4 2149 B13R1.43 COCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000233755 [0,1,0,0,0,1|1,1,0]=4 2150 B13R1.43 COCCC(=O)Cc1ccc(s1)Br 1458a_100000749529_100000708592 [0,1,0,0,0,1|1,1,0]=4 2151 B13R1.43 COCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000233755 [0,1,0,0,0,1|1,1,0]=4 2152 B13R1.43 COCCC(=O)Cc1ccc(s1)Cl 1458a_100000749529_100000185097 [0,1,0,0,0,1|1,1,0]=4 2153 B13R1.43 CSCCC(=O)Cc1cc(cs1)Br 1458a_100000174002_100000746031 [0,1,0,0,0,1|1,1,0]=4 2154 B13R1.43 CSCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000751147 [0,1,0,0,0,1|1,1,0]=4 2155 B13R1.43 CSCCC(=O)Cc1cc(no1)Br 1458a_100000174002_100000709089 [0,1,0,0,0,1|2,0,0]=4 2156 B13R1.43 CSCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000751147 [0,1,0,0,0,1|2,0,0]=4 2157 B13R1.43 CSCCC(=O)Cc1cc(no1)C 1458a_100000174002_100000707947 [0,1,0,0,0,1|2,0,0]=4 2158 B13R1.43 CSCCC(=O)Cc1ccc(s1)Br 1458a_100000174002_100000708592 [0,1,0,0,0,1|1,1,0]=4 2159 B13R1.43 CSCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000751147 [0,1,0,0,0,1|1,1,0]=4 2160 B13R1.43 CSCCC(=O)Cc1ccc(s1)Cl 1458a_100000174002_100000185097 [0,1,0,0,0,1|1,1,0]=4 2161 B13R1.43 CSCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000751147 [0,1,0,0,0,1|1,1,0]=4 2162 B13R1.43 Cc1cc(on1)CC(=O)CCCF 1458a_100000037866_100011934791 [0,1,0,0,0,1|2,0,0]=4 2163 B13R1.43 Cc1cc(on1)CC(=O)CCCO 1458a_100000037866_100011215043 [0,1,0,0,0,1|2,0,0]=4 2164 B13R1.43 O=C(CCCF)Cc1cc(cs1)Br 1458a_100011542370_100011934791 [0,1,0,0,0,1|1,1,0]=4 2165 B13R1.43 O=C(CCCF)Cc1ccc(s1)Br 1458a_100000238643_100011934791 [0,1,0,0,0,1|1,1,0]=4 2166 B13R1.43 O=C(CCCF)Cc1ccc(s1)Cl 1458a_100000238644_100011934791 [0,1,0,0,0,1|1,1,0]=4 2167 B13R1.43 O=C(CCCO)Cc1cc(cs1)Br 1458a_100011542370_100011215043 [0,1,0,0,0,1|1,1,0]=4 2168 B13R1.43 O=C(CCCO)Cc1ccc(s1)Br 1458a_100000238643_100011215043 [0,1,0,0,0,1|1,1,0]=4 2169 B13R1.43 O=C(CCCO)Cc1ccc(s1)Cl 1458a_100000238644_100011215043 [0,1,0,0,0,1|1,1,0]=4 2170 B13R1.66 CC(CC#N)C(=O)Cc1ccco1 1458a_100011217309_100009813641 [0,1,0,0,0,1|1,0,1]=4 2171 B13R1.66 CC(CCO)C(=O)Cc1ccc[nH]1 1458a_100000238377_100009893172 [0,1,0,0,0,1|2,0,0]=4 2172 B13R1.66 CC(CCO)C(=O)Cc1ccco1 1458a_100011217309_100009893172 [0,1,0,0,0,1|1,0,0]=3 2173 B13R1.66 CC(CCO)C(=O)Cc1cccs1 1458a_100000210189_100009893172 [0,1,0,0,0,1|1,1,0]=4 2174 B13R1.66 CCCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210303 [0,1,0,0,0,1|1,0,1]=4 2175 B13R1.66 CCCC(C)C(=O)Cc1c[nH]cn1 1458a_100000210906_100000707719 [0,1,0,0,0,1|2,0,0]=4 2176 B13R1.66 CCCC(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000766640 [0,1,0,0,0,1|2,0,0]=4 2177 B13R1.66 CCCC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000766640 [0,1,0,0,0,1|1,0,0]=3 2178 B13R1.66 CCCC(C)C(=O)Cc1ccco1 1458a_100011217309_100000766640 [0,1,0,0,0,1|0,0,0]=2 2179 B13R1.66 CCCC(C)C(=O)Cc1cccs1 1458a_100000210189_100000766640 [0,1,0,0,0,1|0,1,0]=3 2180 B13R1.66 CCCC(C)C(=O)Cc1ccn[nH]1 1458a_100000210906_100000728653 [0,1,0,0,0,1|2,0,0]=4 2181 B13R1.66 CCCC(C)C(=O)Cc1ccn[nH]1 1458a_100000752941_100000766640 [0,1,0,0,0,1|2,0,0]=4 2182 B13R1.66 CCCC(C)C(=O)Cc1ccoc1 1458a_100000684892_100000766640 [0,1,0,0,0,1|2,0,0]=4 2183 B13R1.66 CCCC(C)C(=O)Cc1ccon1 1458a_100000210906_100000234950 [0,1,0,0,0,1|2,0,0]=4 2184 B13R1.66 CCCC(C)C(=O)Cc1ccsc1 1458a_100000184062_100000766640 [0,1,0,0,0,1|2,0,0]=4 2185 B13R1.66 CCCC(C)C(=O)Cc1ccsc1 1458a_100000210906_100011233845 [0,1,0,0,0,1|2,0,0]=4 2186 B13R1.66 CCCC(C)C(=O)Cc1cncs1 1458a_100000210906_100015185245 [0,1,0,0,0,1|1,1,0]=4 2187 B13R1.66 CCCC(C)C(=O)Cc1cscn1 1458a_100000210906_100000205941 [0,1,0,0,0,1|2,0,0]=4 2188 B13R1.66 CCCC(C)C(=O)Cc1cscn1 1458a_100011438297_100000766640 [0,1,0,0,0,1|2,0,0]=4 2189 B13R1.66 CCCC(C)C(=O)Cc1ncco1 1458a_100000210906_103436540062 [0,1,0,0,0,1|1,0,0]=3 2190 B13R1.66 CCCC(C)C(=O)Cc1nccs1 1458a_100000210906_100015184050 [0,1,0,0,0,1|1,1,0]=4 2191 B13R1.66 CCCC(C)C(=O)Cn1cccc1 1458a_100011196272_100000766640 [0,1,0,0,0,1|2,0,0]=4 2192 B13R1.66 CCCC(C)C(=O)Cn1cccn1 1458a_100000233772_100000766640 [0,1,0,0,0,1|2,0,0]=4 2193 B13R1.66 CCCC(C)N(C)Cc1ccco1 2230a_100000185268_100000766640 [0,1,0,0,0,1|2,0,0]=4 2194 B13R1.66 CCCC(C)N(C)Cc1ccco1 269982a_100000185268_100000766640 [0,1,0,0,0,1|2,0,0]=4 2195 B13R1.66 CCCC(C)N(C)Cc1ccco1 270004a_100000185268_100000211909 [0,1,0,0,0,1|2,0,0]=4 2196 B13R1.66 CCCN(C)C(=O)Cc1ccc[nH]1 11a_100000747261_100000238377 [0,1,0,0,0,1|2,0,0]=4 2197 B13R1.66 CCCN(C)C(=O)Cc1ccc[nH]1 240690a_100000747261_100000238377 [0,1,0,0,0,1|2,0,0]=4 2198 B13R1.66 CCCN(C)C(=O)Cc1ccc[nH]1 527a_100000747261_100000238377 [0,1,0,0,0,1|2,0,0]=4 2199 B13R1.66 CCCN(C)C(=O)Cc1ccco1 11a_100000747261_100011217309 [0,1,0,0,0,1|1,0,0]=3 2200 B13R1.66 CCCN(C)C(=O)Cc1ccco1 527a_100000747261_100011217309 [0,1,0,0,0,1|1,0,0]=3 2201 B13R1.66 CCCN(C)C(=O)Cc1cccs1 11a_100000747261_100000210189 [0,1,0,0,0,1|1,1,0]=4 2202 B13R1.66 CCCN(C)C(=O)Cc1cccs1 1626a_100000747261_100000210189 [0,1,0,0,0,1|1,1,0]=4 2203 B13R1.66 CCCN(C)C(=O)Cc1cccs1 240690a_100000747261_100000210189 [0,1,0,0,0,1|1,1,0]=4 2204 B13R1.66 CCC[C@H](O)C(=O)Cc1c[nH]cn1 1458a_100009822183_100000707719 [0,1,0,0,0,1|2,0,0]=4 2205 B13R1.66 CCC[C@H](O)C(=O)Cc1ccn[nH]1 1458a_100009822183_100000728653 [0,1,0,0,0,1|2,0,0]=4 2206 B13R1.66 CCC[C@H](O)C(=O)Cc1ccon1 1458a_100009822183_100000234950 [0,1,0,0,0,1|2,0,0]=4 2207 B13R1.66 CCC[C@H](O)C(=O)Cc1ccsc1 1458a_100009822183_100011233845 [0,1,0,0,0,1|2,0,0]=4 2208 B13R1.66 CCC[C@H](O)C(=O)Cc1cncs1 1458a_100009822183_100015185245 [0,1,0,0,0,1|1,1,0]=4 2209 B13R1.66 CCC[C@H](O)C(=O)Cc1cscn1 1458a_100009822183_100000205941 [0,1,0,0,0,1|2,0,0]=4 2210 B13R1.66 CCC[C@H](O)C(=O)Cc1ncco1 1458a_100009822183_103436540062 [0,1,0,0,0,1|1,0,0]=3 2211 B13R1.66 CCC[C@H](O)C(=O)Cc1nccs1 1458a_100009822183_100015184050 [0,1,0,0,0,1|1,1,0]=4 2212 B13R1.66 CCOC(C)C(=O)Cc1ncco1 1458a_100000739345_103436540062 [0,1,0,0,0,1|2,0,0]=4 2213 B13R1.66 CCSC(C)C(=O)Cc1ncco1 1458a_100000230601_103436540062 [0,1,0,0,0,1|2,0,0]=4 2214 B13R1.66 CN(CCO)C(=O)Cc1ccco1 527a_100000210263_100011217309 [0,1,0,0,0,1|2,0,0]=4 2215 B13R1.66 COCC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000765312 [0,1,0,0,0,1|2,0,0]=4 2216 B13R1.66 COCC(C)C(=O)Cc1ccco1 1458a_100011217309_100000765312 [0,1,0,0,0,1|1,0,0]=3 2217 B13R1.66 COCC(C)C(=O)Cc1cccs1 1458a_100000210189_100000765312 [0,1,0,0,0,1|1,1,0]=4 2218 B13R1.66 COCC(C)C(=O)Cc1ncco1 1458a_100000751857_103436540062 [0,1,0,0,0,1|2,0,0]=4 2219 B13R1.66 CSCC(C)C(=O)Cc1ncco1 1458a_100000753918_103436540062 [0,1,0,0,0,1|2,0,0]=4 2220 B13R1.156 C#CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000731252 [0,1,0,0,0,1|1,0,1]=4 2221 B13R1.156 C#CCCCC(=O)Cc1ccco1 1458a_100011217309_100000731252 [0,1,0,0,0,1|0,0,1]=3 2222 B13R1.156 C#CCCCC(=O)Cc1cccs1 1458a_100000210189_100000731252 [0,1,0,0,0,1|0,1,1]=4 2223 B13R1.156 C#CCCCC(=O)Cc1ncco1 1458a_100000690238_103436540062 [0,1,0,0,0,1|1,0,1]=4 2224 B13R1.156 C#CCCNC(=O)Cc1ccco1 11a_100000755551_100011217309 [0,1,0,0,0,1|0,0,2]=4 2225 B13R1.156 C#CCCNC(=O)Cc1ccco1 527a_100000755551_100011217309 [0,1,0,0,0,1|0,0,2]=4 2226 B13R1.156 C=CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000757094 [0,1,0,0,0,1|1,0,1]=4 2227 B13R1.156 C=CCCCC(=O)Cc1ccco1 1458a_100011217309_100000757094 [0,1,0,0,0,1|0,0,1]=3 2228 B13R1.156 C=CCCCC(=O)Cc1cccs1 1458a_100000210189_100000757094 [0,1,0,0,0,1|0,1,1]=4 2229 B13R1.156 C=CCCCC(=O)Cc1ncco1 1458a_100000766728_103436540062 [0,1,0,0,0,1|1,0,1]=4 2230 B13R1.156 C=CCCNC(=O)Cc1ccco1 11a_100015191253_100011217309 [0,1,0,0,0,1|0,0,2]=4 2231 B13R1.156 C=CCCNC(=O)Cc1ccco1 527a_100015191253_100011217309 [0,1,0,0,0,1|0,0,2]=4 2232 B13R1.156 C=COCCC(=O)Cc1ccco1 1458a_100011217309_100000039644 [0,1,0,0,0,1|0,0,2]=4 2233 B13R1.156 CC#CCNC(=O)Cc1ccco1 11a_100000685387_100011217309 [0,1,0,0,0,1|0,0,2]=4 2234 B13R1.156 CC#CCNC(=O)Cc1ccco1 527a_100000685387_100011217309 [0,1,0,0,0,1|0,0,2]=4 2235 B13R1.156 CC/C=C/CC(=O)Cc1ncco1 1458a_100016274230_103436540062 [0,1,0,0,0,1|1,0,1]=4 2236 B13R1.156 CC/C=C\CC(=O)Cc1ccc[nH]1 1458a_100000238377_100103147603 [0,1,0,0,0,1|1,0,1]=4 2237 B13R1.156 CC/C=C\CC(=O)Cc1ccco1 1458a_100011217309_100103147603 [0,1,0,0,0,1|0,0,1]=3 2238 B13R1.156 CC/C=C\CC(=O)Cc1cccs1 1458a_100000210189_100103147603 [0,1,0,0,0,1|0,1,1]=4 2239 B13R1.156 CCC#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100009813939 [0,1,0,0,0,1|1,0,1]=4 2240 B13R1.156 CCC#CCC(=O)Cc1ccco1 1458a_100011217309_100009813939 [0,1,0,0,0,1|0,0,1]=3 2241 B13R1.156 CCC#CCC(=O)Cc1cccs1 1458a_100000210189_100009813939 [0,1,0,0,0,1|0,1,1]=4 2242 B13R1.156 CCCC#CC(=O)Cc1ncco1 1458a_200011218047_103436540062 [0,1,0,0,0,1|1,0,1]=4 2243 B13R1.156 CCCC=CC(=O)Cc1ncco1 1458a_100000212230_103436540062 [0,1,0,0,0,1|1,0,1]=4 2244 B13R1.156 CCCCCC(=O)Cc1c[nH]cn1 1458a_100000212188_100000707719 [0,1,0,0,0,1|2,0,0]=4 2245 B13R1.156 CCCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210326 [0,1,0,0,0,1|2,0,0]=4 2246 B13R1.156 CCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210326 [0,1,0,0,0,1|1,0,0]=3 2247 B13R1.156 CCCCCC(=O)Cc1ccco1 1458a_100011217309_100000210326 [0,1,0,0,0,1|0,0,0]=2 2248 B13R1.156 CCCCCC(=O)Cc1cccs1 1458a_100000210189_100000210326 [0,1,0,0,0,1|0,1,0]=3 2249 B13R1.156 CCCCCC(=O)Cc1ccn[nH]1 1458a_100000212188_100000728653 [0,1,0,0,0,1|2,0,0]=4 2250 B13R1.156 CCCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210326 [0,1,0,0,0,1|2,0,0]=4 2251 B13R1.156 CCCCCC(=O)Cc1ccoc1 1458a_100000684892_100000210326 [0,1,0,0,0,1|2,0,0]=4 2252 B13R1.156 CCCCCC(=O)Cc1ccon1 1458a_100000212188_100000234950 [0,1,0,0,0,1|2,0,0]=4 2253 B13R1.156 CCCCCC(=O)Cc1ccsc1 1458a_100000184062_100000210326 [0,1,0,0,0,1|2,0,0]=4 2254 B13R1.156 CCCCCC(=O)Cc1ccsc1 1458a_100000212188_100011233845 [0,1,0,0,0,1|2,0,0]=4 2255 B13R1.156 CCCCCC(=O)Cc1cncs1 1458a_100000212188_100015185245 [0,1,0,0,0,1|1,1,0]=4 2256 B13R1.156 CCCCCC(=O)Cc1cscn1 1458a_100000212188_100000205941 [0,1,0,0,0,1|2,0,0]=4 2257 B13R1.156 CCCCCC(=O)Cc1cscn1 1458a_100011438297_100000210326 [0,1,0,0,0,1|2,0,0]=4 2258 B13R1.156 CCCCCC(=O)Cc1ncco1 1458a_100000212188_103436540062 [0,1,0,0,0,1|1,0,0]=3 2259 B13R1.156 CCCCCC(=O)Cc1nccs1 1458a_100000212188_100015184050 [0,1,0,0,0,1|1,1,0]=4 2260 B13R1.156 CCCCCC(=O)Cn1cccc1 1458a_100011196272_100000210326 [0,1,0,0,0,1|2,0,0]=4 2261 B13R1.156 CCCCCC(=O)Cn1cccn1 1458a_100000233772_100000210326 [0,1,0,0,0,1|2,0,0]=4 2262 B13R1.156 CCCCCC(C)Sc1ccco1 62a_100009814098_200011218191 [0,1,0,0,0,1|1,0,1]=4 2263 B13R1.156 CCCCCC(C)Sc1ccco1 62a_200011218191_100009814098 [0,1,0,0,0,1|1,0,1]=4 2264 B13R1.156 CCCCCN(C)Cc1ccco1 2230a_100000185268_100000210326 [0,1,0,0,0,1|2,0,0]=4 2265 B13R1.156 CCCCCN(C)Cc1ccco1 269982a_100000185268_100000210215 [0,1,0,0,0,1|2,0,0]=4 2266 B13R1.156 CCCCCN(C)Cc1ccco1 270004a_100000223495_100000186105 [0,1,0,0,0,1|2,0,0]=4 2267 B13R1.156 CCCCNC(=O)Cc1c[nH]cn1 240690a_100000102301_100015291406 [0,1,0,0,0,1|2,0,0]=4 2268 B13R1.156 CCCCNC(=O)Cc1ccc[nH]1 11a_100000102301_100000238377 [0,1,0,0,0,1|1,0,0]=3 2269 B13R1.156 CCCCNC(=O)Cc1ccc[nH]1 240690a_100000102301_100000238377 [0,1,0,0,0,1|1,0,0]=3 2270 B13R1.156 CCCCNC(=O)Cc1ccc[nH]1 527a_100000102301_100000238377 [0,1,0,0,0,1|1,0,0]=3 2271 B13R1.156 CCCCNC(=O)Cc1ccco1 11a_100000102301_100011217309 [0,1,0,0,0,1|0,0,0]=2 2272 B13R1.156 CCCCNC(=O)Cc1ccco1 527a_100000102301_100011217309 [0,1,0,0,0,1|0,0,0]=2 2273 B13R1.156 CCCCNC(=O)Cc1cccs1 11a_100000102301_100000210189 [0,1,0,0,0,1|0,1,0]=3 2274 B13R1.156 CCCCNC(=O)Cc1cccs1 1626a_100000102301_100000210189 [0,1,0,0,0,1|0,1,0]=3 2275 B13R1.156 CCCCNC(=O)Cc1cccs1 240690a_100000102301_100000210189 [0,1,0,0,0,1|0,1,0]=3 2276 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 11a_100000102301_100000752941 [0,1,0,0,0,1|2,0,0]=4 2277 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 1626a_100000102301_100000752941 [0,1,0,0,0,1|2,0,0]=4 2278 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 240690a_100000102301_100000752941 [0,1,0,0,0,1|2,0,0]=4 2279 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 527a_100000102301_100000752941 [0,1,0,0,0,1|2,0,0]=4 2280 B13R1.156 CCCCNC(=O)Cc1ccoc1 11a_100000102301_100000684892 [0,1,0,0,0,1|2,0,0]=4 2281 B13R1.156 CCCCNC(=O)Cc1ccoc1 1626a_100000102301_100000684892 [0,1,0,0,0,1|2,0,0]=4 2282 B13R1.156 CCCCNC(=O)Cc1ccoc1 240690a_100000102301_100000684892 [0,1,0,0,0,1|2,0,0]=4 2283 B13R1.156 CCCCNC(=O)Cc1ccoc1 527a_100000102301_100000684892 [0,1,0,0,0,1|2,0,0]=4 2284 B13R1.156 CCCCNC(=O)Cc1ccsc1 11a_100000102301_100000184062 [0,1,0,0,0,1|2,0,0]=4 2285 B13R1.156 CCCCNC(=O)Cc1ccsc1 1626a_100000102301_100000184062 [0,1,0,0,0,1|2,0,0]=4 2286 B13R1.156 CCCCNC(=O)Cc1ccsc1 240690a_100000102301_100000184062 [0,1,0,0,0,1|2,0,0]=4 2287 B13R1.156 CCCCNC(=O)Cc1ccsc1 527a_100000102301_100000184062 [0,1,0,0,0,1|2,0,0]=4 2288 B13R1.156 CCCCNC(=O)Cc1cscn1 11a_100000102301_100011438297 [0,1,0,0,0,1|2,0,0]=4 2289 B13R1.156 CCCCNC(=O)Cc1cscn1 1626a_100000102301_100011438297 [0,1,0,0,0,1|2,0,0]=4 2290 B13R1.156 CCCCNC(=O)Cc1cscn1 240690a_100000102301_100011438297 [0,1,0,0,0,1|2,0,0]=4 2291 B13R1.156 CCCCNC(=O)Cc1cscn1 527a_100000102301_100011438297 [0,1,0,0,0,1|2,0,0]=4 2292 B13R1.156 CCCCNC(=O)Cn1cccc1 11a_100000102301_100011196272 [0,1,0,0,0,1|2,0,0]=4 2293 B13R1.156 CCCCNC(=O)Cn1cccc1 1626a_100000102301_100011196272 [0,1,0,0,0,1|2,0,0]=4 2294 B13R1.156 CCCCNC(=O)Cn1cccc1 527a_100000102301_100011196272 [0,1,0,0,0,1|2,0,0]=4 2295 B13R1.156 CCCCNC(=O)Cn1cccn1 11a_100000102301_100000233772 [0,1,0,0,0,1|2,0,0]=4 2296 B13R1.156 CCCCNC(=O)Cn1cccn1 1626a_100000102301_100000233772 [0,1,0,0,0,1|2,0,0]=4 2297 B13R1.156 CCCCNC(=O)Cn1cccn1 240690a_100000102301_100000233772 [0,1,0,0,0,1|2,0,0]=4 2298 B13R1.156 CCCCNC(=O)Cn1cccn1 527a_100000102301_100000233772 [0,1,0,0,0,1|2,0,0]=4 2299 B13R1.156 CCCCNC(C)Cc1ccco1 270004a_100000102301_100011216958 [0,1,0,0,0,1|1,0,1]=4 2300 B13R1.156 CCCCOC(C)Cc1ccco1 34a_100011803939_100000210210 [0,1,0,0,0,1|1,0,1]=4 2301 B13R1.156 CCCCOC(C)Cc1ccco1 7a_100011803939_100000210211 [0,1,0,0,0,1|1,0,1]=4 2302 B13R1.156 CCCNNC(=O)Cc1ccc[nH]1 22a_100000740057_100000238377 [0,1,0,0,0,1|2,0,0]=4 2303 B13R1.156 CCCNNC(=O)Cc1ccco1 22a_100000740057_100011217309 [0,1,0,0,0,1|1,0,0]=3 2304 B13R1.156 CCCNNC(=O)Cc1cccs1 22a_100000740057_100000210189 [0,1,0,0,0,1|1,1,0]=4 2305 B13R1.156 CCCOCC(=O)Cc1c[nH]cn1 1458a_100000745993_100000707719 [0,1,0,0,0,1|2,0,0]=4 2306 B13R1.156 CCCOCC(=O)Cc1ccn[nH]1 1458a_100000745993_100000728653 [0,1,0,0,0,1|2,0,0]=4 2307 B13R1.156 CCCOCC(=O)Cc1ccon1 1458a_100000745993_100000234950 [0,1,0,0,0,1|2,0,0]=4 2308 B13R1.156 CCCOCC(=O)Cc1ccsc1 1458a_100000745993_100011233845 [0,1,0,0,0,1|2,0,0]=4 2309 B13R1.156 CCCOCC(=O)Cc1cncs1 1458a_100000745993_100015185245 [0,1,0,0,0,1|1,1,0]=4 2310 B13R1.156 CCCOCC(=O)Cc1cscn1 1458a_100000745993_100000205941 [0,1,0,0,0,1|2,0,0]=4 2311 B13R1.156 CCCOCC(=O)Cc1ncco1 1458a_100000745993_103436540062 [0,1,0,0,0,1|1,0,0]=3 2312 B13R1.156 CCCOCC(=O)Cc1nccs1 1458a_100000745993_100015184050 [0,1,0,0,0,1|1,1,0]=4 2313 B13R1.156 CCCSCC(=O)Cc1c[nH]cn1 1458a_100000217233_100000707719 [0,1,0,0,0,1|2,0,0]=4 2314 B13R1.156 CCCSCC(=O)Cc1ccn[nH]1 1458a_100000217233_100000728653 [0,1,0,0,0,1|2,0,0]=4 2315 B13R1.156 CCCSCC(=O)Cc1ccon1 1458a_100000217233_100000234950 [0,1,0,0,0,1|2,0,0]=4 2316 B13R1.156 CCCSCC(=O)Cc1ccsc1 1458a_100000217233_100011233845 [0,1,0,0,0,1|2,0,0]=4 2317 B13R1.156 CCCSCC(=O)Cc1cncs1 1458a_100000217233_100015185245 [0,1,0,0,0,1|1,1,0]=4 2318 B13R1.156 CCCSCC(=O)Cc1cscn1 1458a_100000217233_100000205941 [0,1,0,0,0,1|2,0,0]=4 2319 B13R1.156 CCCSCC(=O)Cc1ncco1 1458a_100000217233_103436540062 [0,1,0,0,0,1|1,0,0]=3 2320 B13R1.156 CCCSCC(=O)Cc1nccs1 1458a_100000217233_100015184050 [0,1,0,0,0,1|1,1,0]=4 2321 B13R1.156 CCCSCC(=O)Nc1ccon1 62a_100000210303_100000239699 [0,1,0,0,0,1|2,0,0]=4 2322 B13R1.156 CCCSCC(=O)Nc1ccon1 62a_100000239699_100000210303 [0,1,0,0,0,1|2,0,0]=4 2323 B13R1.156 CCCSCC(=O)Nc1nccs1 62a_100000183294_100000210303 [0,1,0,0,0,1|1,1,0]=4 2324 B13R1.156 CCCSCC(=O)Nc1nccs1 62a_100000210303_100000183294 [0,1,0,0,0,1|1,1,0]=4 2325 B13R1.156 CCNCCC(=O)Nc1nccs1 2230a_100015525214_200011194430 [0,1,0,0,0,1|1,1,0]=4 2326 B13R1.156 CCOCCC(=O)Cc1c[nH]cn1 1458a_100000749530_100000707719 [0,1,0,0,0,1|2,0,0]=4 2327 B13R1.156 CCOCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100011215890 [0,1,0,0,0,1|2,0,0]=4 2328 B13R1.156 CCOCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011215890 [0,1,0,0,0,1|1,0,0]=3 2329 B13R1.156 CCOCCC(=O)Cc1ccco1 1458a_100011217309_100011215890 [0,1,0,0,0,1|0,0,0]=2 2330 B13R1.156 CCOCCC(=O)Cc1cccs1 1458a_100000210189_100011215890 [0,1,0,0,0,1|0,1,0]=3 2331 B13R1.156 CCOCCC(=O)Cc1ccn[nH]1 1458a_100000749530_100000728653 [0,1,0,0,0,1|2,0,0]=4 2332 B13R1.156 CCOCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100011215890 [0,1,0,0,0,1|2,0,0]=4 2333 B13R1.156 CCOCCC(=O)Cc1ccoc1 1458a_100000684892_100011215890 [0,1,0,0,0,1|2,0,0]=4 2334 B13R1.156 CCOCCC(=O)Cc1ccon1 1458a_100000749530_100000234950 [0,1,0,0,0,1|2,0,0]=4 2335 B13R1.156 CCOCCC(=O)Cc1ccsc1 1458a_100000184062_100011215890 [0,1,0,0,0,1|2,0,0]=4 2336 B13R1.156 CCOCCC(=O)Cc1ccsc1 1458a_100000749530_100011233845 [0,1,0,0,0,1|2,0,0]=4 2337 B13R1.156 CCOCCC(=O)Cc1cncs1 1458a_100000749530_100015185245 [0,1,0,0,0,1|1,1,0]=4 2338 B13R1.156 CCOCCC(=O)Cc1cscn1 1458a_100000749530_100000205941 [0,1,0,0,0,1|2,0,0]=4 2339 B13R1.156 CCOCCC(=O)Cc1cscn1 1458a_100011438297_100011215890 [0,1,0,0,0,1|2,0,0]=4 2340 B13R1.156 CCOCCC(=O)Cc1ncco1 1458a_100000749530_103436540062 [0,1,0,0,0,1|1,0,0]=3 2341 B13R1.156 CCOCCC(=O)Cc1nccs1 1458a_100000749530_100015184050 [0,1,0,0,0,1|1,1,0]=4 2342 B13R1.156 CCOCCC(=O)Cn1cccc1 1458a_100011196272_100011215890 [0,1,0,0,0,1|2,0,0]=4 2343 B13R1.156 CCOCCC(=O)Cn1cccn1 1458a_100000233772_100011215890 [0,1,0,0,0,1|2,0,0]=4 2344 B13R1.156 CCOCCN(C)Cc1ccco1 2230a_100000185268_100011215890 [0,1,0,0,0,1|2,0,0]=4 2345 B13R1.156 CCOCCN(C)Cc1ccco1 269982a_100000185268_100011215890 [0,1,0,0,0,1|2,0,0]=4 2346 B13R1.156 CCSCCC(=O)Cc1c[nH]cn1 1458a_100000230768_100000707719 [0,1,0,0,0,1|2,0,0]=4 2347 B13R1.156 CCSCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000757381 [0,1,0,0,0,1|2,0,0]=4 2348 B13R1.156 CCSCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000757381 [0,1,0,0,0,1|1,0,0]=3 2349 B13R1.156 CCSCCC(=O)Cc1ccco1 1458a_100011217309_100000757381 [0,1,0,0,0,1|0,0,0]=2 2350 B13R1.156 CCSCCC(=O)Cc1cccs1 1458a_100000210189_100000757381 [0,1,0,0,0,1|0,1,0]=3 2351 B13R1.156 CCSCCC(=O)Cc1ccn[nH]1 1458a_100000230768_100000728653 [0,1,0,0,0,1|2,0,0]=4 2352 B13R1.156 CCSCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000757381 [0,1,0,0,0,1|2,0,0]=4 2353 B13R1.156 CCSCCC(=O)Cc1ccoc1 1458a_100000684892_100000757381 [0,1,0,0,0,1|2,0,0]=4 2354 B13R1.156 CCSCCC(=O)Cc1ccon1 1458a_100000230768_100000234950 [0,1,0,0,0,1|2,0,0]=4 2355 B13R1.156 CCSCCC(=O)Cc1ccsc1 1458a_100000184062_100000757381 [0,1,0,0,0,1|2,0,0]=4 2356 B13R1.156 CCSCCC(=O)Cc1ccsc1 1458a_100000230768_100011233845 [0,1,0,0,0,1|2,0,0]=4 2357 B13R1.156 CCSCCC(=O)Cc1cncs1 1458a_100000230768_100015185245 [0,1,0,0,0,1|1,1,0]=4 2358 B13R1.156 CCSCCC(=O)Cc1cscn1 1458a_100000230768_100000205941 [0,1,0,0,0,1|2,0,0]=4 2359 B13R1.156 CCSCCC(=O)Cc1cscn1 1458a_100011438297_100000757381 [0,1,0,0,0,1|2,0,0]=4 2360 B13R1.156 CCSCCC(=O)Cc1ncco1 1458a_100000230768_103436540062 [0,1,0,0,0,1|1,0,0]=3 2361 B13R1.156 CCSCCC(=O)Cc1nccs1 1458a_100000230768_100015184050 [0,1,0,0,0,1|1,1,0]=4 2362 B13R1.156 CCSCCC(=O)Cn1cccc1 1458a_100011196272_100000757381 [0,1,0,0,0,1|2,0,0]=4 2363 B13R1.156 CCSCCC(=O)Cn1cccn1 1458a_100000233772_100000757381 [0,1,0,0,0,1|2,0,0]=4 2364 B13R1.156 CCSCCC(=O)Nc1nccs1 62a_100000210202_200011194430 [0,1,0,0,0,1|1,1,0]=4 2365 B13R1.156 CCSCCN(C)Cc1ccco1 2230a_100000185268_100000757381 [0,1,0,0,0,1|2,0,0]=4 2366 B13R1.156 CCSCCN(C)Cc1ccco1 269982a_100000185268_100000757381 [0,1,0,0,0,1|2,0,0]=4 2367 B13R1.156 CN(CCCCF)Cc1ccco1 2230a_100000185268_100000729493 [0,1,0,0,0,1|2,0,0]=4 2368 B13R1.156 CN(CCCCF)Cc1ccco1 269982a_100000185268_100000729493 [0,1,0,0,0,1|2,0,0]=4 2369 B13R1.156 CN(CCCCO)Cc1ccco1 2230a_100000185268_100000210776 [0,1,0,0,0,1|2,0,0]=4 2370 B13R1.156 CN(CCCCO)Cc1ccco1 269982a_100000185268_100000210776 [0,1,0,0,0,1|2,0,0]=4 2371 B13R1.156 CN(CCCCO)Cc1ccco1 270004a_100000717598_100000186105 [0,1,0,0,0,1|2,0,0]=4 2372 B13R1.156 COCCCC(=O)Cc1c[nH]cn1 1458a_100000741012_100000707719 [0,1,0,0,0,1|2,0,0]=4 2373 B13R1.156 COCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000740836 [0,1,0,0,0,1|2,0,0]=4 2374 B13R1.156 COCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000740836 [0,1,0,0,0,1|1,0,0]=3 2375 B13R1.156 COCCCC(=O)Cc1ccco1 1458a_100011217309_100000740836 [0,1,0,0,0,1|0,0,0]=2 2376 B13R1.156 COCCCC(=O)Cc1cccs1 1458a_100000210189_100000740836 [0,1,0,0,0,1|0,1,0]=3 2377 B13R1.156 COCCCC(=O)Cc1ccn[nH]1 1458a_100000741012_100000728653 [0,1,0,0,0,1|2,0,0]=4 2378 B13R1.156 COCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000740836 [0,1,0,0,0,1|2,0,0]=4 2379 B13R1.156 COCCCC(=O)Cc1ccoc1 1458a_100000684892_100000740836 [0,1,0,0,0,1|2,0,0]=4 2380 B13R1.156 COCCCC(=O)Cc1ccon1 1458a_100000741012_100000234950 [0,1,0,0,0,1|2,0,0]=4 2381 B13R1.156 COCCCC(=O)Cc1ccsc1 1458a_100000184062_100000740836 [0,1,0,0,0,1|2,0,0]=4 2382 B13R1.156 COCCCC(=O)Cc1ccsc1 1458a_100000741012_100011233845 [0,1,0,0,0,1|2,0,0]=4 2383 B13R1.156 COCCCC(=O)Cc1cncs1 1458a_100000741012_100015185245 [0,1,0,0,0,1|1,1,0]=4 2384 B13R1.156 COCCCC(=O)Cc1cscn1 1458a_100000741012_100000205941 [0,1,0,0,0,1|2,0,0]=4 2385 B13R1.156 COCCCC(=O)Cc1cscn1 1458a_100011438297_100000740836 [0,1,0,0,0,1|2,0,0]=4 2386 B13R1.156 COCCCC(=O)Cc1ncco1 1458a_100000741012_103436540062 [0,1,0,0,0,1|1,0,0]=3 2387 B13R1.156 COCCCC(=O)Cc1nccs1 1458a_100000741012_100015184050 [0,1,0,0,0,1|1,1,0]=4 2388 B13R1.156 COCCCC(=O)Cn1cccc1 1458a_100011196272_100000740836 [0,1,0,0,0,1|2,0,0]=4 2389 B13R1.156 COCCCC(=O)Cn1cccn1 1458a_100000233772_100000740836 [0,1,0,0,0,1|2,0,0]=4 2390 B13R1.156 COCCCN(C)Cc1ccco1 2230a_100000185268_100000740836 [0,1,0,0,0,1|2,0,0]=4 2391 B13R1.156 COCCCN(C)Cc1ccco1 269982a_100000185268_100000740836 [0,1,0,0,0,1|2,0,0]=4 2392 B13R1.156 COCCCN(C)Cc1ccco1 270004a_100000224831_100000186105 [0,1,0,0,0,1|2,0,0]=4 2393 B13R1.156 COCCNC(=O)Cc1ccc[nH]1 240690a_100000209980_100000238377 [0,1,0,0,0,1|2,0,0]=4 2394 B13R1.156 COCCNC(=O)Cc1ccc[nH]1 527a_100000209980_100000238377 [0,1,0,0,0,1|2,0,0]=4 2395 B13R1.156 COCCNC(=O)Cc1ccco1 527a_100000209980_100011217309 [0,1,0,0,0,1|1,0,0]=3 2396 B13R1.156 COCCNC(=O)Cc1cccs1 1626a_100000209980_100000210189 [0,1,0,0,0,1|1,1,0]=4 2397 B13R1.156 COCCNC(=O)Cc1cccs1 240690a_100000209980_100000210189 [0,1,0,0,0,1|1,1,0]=4 2398 B13R1.156 CSCCCC(=O)Cc1c[nH]cn1 1458a_100000173376_100000707719 [0,1,0,0,0,1|2,0,0]=4 2399 B13R1.156 CSCCCC(=O)Cc1ccn[nH]1 1458a_100000173376_100000728653 [0,1,0,0,0,1|2,0,0]=4 2400 B13R1.156 CSCCCC(=O)Cc1ccon1 1458a_100000173376_100000234950 [0,1,0,0,0,1|2,0,0]=4 2401 B13R1.156 CSCCCC(=O)Cc1ccsc1 1458a_100000173376_100011233845 [0,1,0,0,0,1|2,0,0]=4 2402 B13R1.156 CSCCCC(=O)Cc1cncs1 1458a_100000173376_100015185245 [0,1,0,0,0,1|1,1,0]=4 2403 B13R1.156 CSCCCC(=O)Cc1cscn1 1458a_100000173376_100000205941 [0,1,0,0,0,1|2,0,0]=4 2404 B13R1.156 CSCCCC(=O)Cc1ncco1 1458a_100000173376_103436540062 [0,1,0,0,0,1|1,0,0]=3 2405 B13R1.156 CSCCCC(=O)Cc1nccs1 1458a_100000173376_100015184050 [0,1,0,0,0,1|1,1,0]=4 2406 B13R1.156 CSCCNC(=O)Cc1ccc[nH]1 11a_100020590264_100000238377 [0,1,0,0,0,1|2,0,0]=4 2407 B13R1.156 CSCCNC(=O)Cc1ccc[nH]1 240690a_100020590264_100000238377 [0,1,0,0,0,1|2,0,0]=4 2408 B13R1.156 CSCCNC(=O)Cc1ccc[nH]1 527a_100020590264_100000238377 [0,1,0,0,0,1|2,0,0]=4 2409 B13R1.156 CSCCNC(=O)Cc1ccco1 11a_100020590264_100011217309 [0,1,0,0,0,1|1,0,0]=3 2410 B13R1.156 CSCCNC(=O)Cc1ccco1 527a_100020590264_100011217309 [0,1,0,0,0,1|1,0,0]=3 2411 B13R1.156 CSCCNC(=O)Cc1cccs1 11a_100020590264_100000210189 [0,1,0,0,0,1|1,1,0]=4 2412 B13R1.156 CSCCNC(=O)Cc1cccs1 1626a_100020590264_100000210189 [0,1,0,0,0,1|1,1,0]=4 2413 B13R1.156 CSCCNC(=O)Cc1cccs1 240690a_100020590264_100000210189 [0,1,0,0,0,1|1,1,0]=4 2414 B13R1.156 N#CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000211468 [0,1,0,0,0,1|1,0,1]=4 2415 B13R1.156 N#CCCCC(=O)Cc1ccco1 1458a_100011217309_100000211468 [0,1,0,0,0,1|0,0,1]=3 2416 B13R1.156 N#CCCCC(=O)Cc1cccs1 1458a_100000210189_100000211468 [0,1,0,0,0,1|0,1,1]=4 2417 B13R1.156 N#CCCCC(=O)Cc1ncco1 1458a_100000075515_103436540062 [0,1,0,0,0,1|1,0,1]=4 2418 B13R1.156 N#CCCNC(=O)Cc1ccco1 11a_100000720768_100011217309 [0,1,0,0,0,1|1,0,1]=4 2419 B13R1.156 N#CCCNC(=O)Cc1ccco1 527a_100000720768_100011217309 [0,1,0,0,0,1|1,0,1]=4 2420 B13R1.156 O=C(CC#CCO)Cc1ccco1 1458a_100011217309_200000047223 [0,1,0,0,0,1|0,0,2]=4 2421 B13R1.156 O=C(CCCCF)Cc1c[nH]cn1 1458a_100015291406_100000729493 [0,1,0,0,0,1|2,0,0]=4 2422 B13R1.156 O=C(CCCCF)Cc1ccc[nH]1 1458a_100000238377_100000729493 [0,1,0,0,0,1|1,0,0]=3 2423 B13R1.156 O=C(CCCCF)Cc1ccco1 1458a_100011217309_100000729493 [0,1,0,0,0,1|0,0,0]=2 2424 B13R1.156 O=C(CCCCF)Cc1cccs1 1458a_100000210189_100000729493 [0,1,0,0,0,1|0,1,0]=3 2425 B13R1.156 O=C(CCCCF)Cc1ccn[nH]1 1458a_100000752941_100000729493 [0,1,0,0,0,1|2,0,0]=4 2426 B13R1.156 O=C(CCCCF)Cc1ccoc1 1458a_100000684892_100000729493 [0,1,0,0,0,1|2,0,0]=4 2427 B13R1.156 O=C(CCCCF)Cc1ccsc1 1458a_100000184062_100000729493 [0,1,0,0,0,1|2,0,0]=4 2428 B13R1.156 O=C(CCCCF)Cc1cscn1 1458a_100011438297_100000729493 [0,1,0,0,0,1|2,0,0]=4 2429 B13R1.156 O=C(CCCCF)Cn1cccc1 1458a_100011196272_100000729493 [0,1,0,0,0,1|2,0,0]=4 2430 B13R1.156 O=C(CCCCF)Cn1cccn1 1458a_100000233772_100000729493 [0,1,0,0,0,1|2,0,0]=4 2431 B13R1.156 O=C(CCCCO)Cc1c[nH]cn1 1458a_100000695505_100000707719 [0,1,0,0,0,1|2,0,0]=4 2432 B13R1.156 O=C(CCCCO)Cc1c[nH]cn1 1458a_100015291406_100000210776 [0,1,0,0,0,1|2,0,0]=4 2433 B13R1.156 O=C(CCCCO)Cc1ccc[nH]1 1458a_100000238377_100000210776 [0,1,0,0,0,1|1,0,0]=3 2434 B13R1.156 O=C(CCCCO)Cc1ccco1 1458a_100011217309_100000210776 [0,1,0,0,0,1|0,0,0]=2 2435 B13R1.156 O=C(CCCCO)Cc1cccs1 1458a_100000210189_100000210776 [0,1,0,0,0,1|0,1,0]=3 2436 B13R1.156 O=C(CCCCO)Cc1ccn[nH]1 1458a_100000695505_100000728653 [0,1,0,0,0,1|2,0,0]=4 2437 B13R1.156 O=C(CCCCO)Cc1ccn[nH]1 1458a_100000752941_100000210776 [0,1,0,0,0,1|2,0,0]=4 2438 B13R1.156 O=C(CCCCO)Cc1ccoc1 1458a_100000684892_100000210776 [0,1,0,0,0,1|2,0,0]=4 2439 B13R1.156 O=C(CCCCO)Cc1ccon1 1458a_100000695505_100000234950 [0,1,0,0,0,1|2,0,0]=4 2440 B13R1.156 O=C(CCCCO)Cc1ccsc1 1458a_100000184062_100000210776 [0,1,0,0,0,1|2,0,0]=4 2441 B13R1.156 O=C(CCCCO)Cc1ccsc1 1458a_100000695505_100011233845 [0,1,0,0,0,1|2,0,0]=4 2442 B13R1.156 O=C(CCCCO)Cc1cncs1 1458a_100000695505_100015185245 [0,1,0,0,0,1|1,1,0]=4 2443 B13R1.156 O=C(CCCCO)Cc1cscn1 1458a_100000695505_100000205941 [0,1,0,0,0,1|2,0,0]=4 2444 B13R1.156 O=C(CCCCO)Cc1cscn1 1458a_100011438297_100000210776 [0,1,0,0,0,1|2,0,0]=4 2445 B13R1.156 O=C(CCCCO)Cc1ncco1 1458a_100000695505_103436540062 [0,1,0,0,0,1|1,0,0]=3 2446 B13R1.156 O=C(CCCCO)Cc1nccs1 1458a_100000695505_100015184050 [0,1,0,0,0,1|1,1,0]=4 2447 B13R1.156 O=C(CCCCO)Cn1cccc1 1458a_100011196272_100000210776 [0,1,0,0,0,1|2,0,0]=4 2448 B13R1.156 O=C(CCCCO)Cn1cccn1 1458a_100000233772_100000210776 [0,1,0,0,0,1|2,0,0]=4 2449 B13R1.156 O=C(COCCO)Cc1ncco1 1458a_100000708028_103436540062 [0,1,0,0,0,1|2,0,0]=4 2450 B13R1.156 O=C(Cc1ccc[nH]1)NCCCF 11a_100015189416_100000238377 [0,1,0,0,0,1|2,0,0]=4 2451 B13R1.156 O=C(Cc1ccc[nH]1)NCCCF 240690a_100015189416_100000238377 [0,1,0,0,0,1|2,0,0]=4 2452 B13R1.156 O=C(Cc1ccc[nH]1)NCCCF 527a_100015189416_100000238377 [0,1,0,0,0,1|2,0,0]=4 2453 B13R1.156 O=C(Cc1ccc[nH]1)NCCCO 240690a_100000182051_100000238377 [0,1,0,0,0,1|2,0,0]=4 2454 B13R1.156 O=C(Cc1ccc[nH]1)NCCCO 527a_100000182051_100000238377 [0,1,0,0,0,1|2,0,0]=4 2455 B13R1.156 O=C(Cc1ccco1)NCCCF 11a_100015189416_100011217309 [0,1,0,0,0,1|1,0,0]=3 2456 B13R1.156 O=C(Cc1ccco1)NCCCF 527a_100015189416_100011217309 [0,1,0,0,0,1|1,0,0]=3 2457 B13R1.156 O=C(Cc1ccco1)NCCCO 527a_100000182051_100011217309 [0,1,0,0,0,1|1,0,0]=3 2458 B13R1.156 O=C(Cc1ccco1)NNCCO 22a_100000210001_100011217309 [0,1,0,0,0,1|2,0,0]=4 2459 B13R1.156 O=C(Cc1cccs1)NCCCF 11a_100015189416_100000210189 [0,1,0,0,0,1|1,1,0]=4 2460 B13R1.156 O=C(Cc1cccs1)NCCCF 1626a_100015189416_100000210189 [0,1,0,0,0,1|1,1,0]=4 2461 B13R1.156 O=C(Cc1cccs1)NCCCF 240690a_100015189416_100000210189 [0,1,0,0,0,1|1,1,0]=4 2462 B13R1.156 O=C(Cc1cccs1)NCCCO 240690a_100000182051_100000210189 [0,1,0,0,0,1|1,1,0]=4 2463 B13R1.166 CCCCC(=O)C(C)n1cccc1 1458a_100000243804_100000210211 [0,1,0,0,0,1|2,0,0]=4 2464 B13R1.166 CCCCN(C)C(C)c1ccco1 2230a_100000232712_100000210211 [0,1,0,0,0,1|2,0,0]=4 2465 B13R1.166 CCCCN(C)C(C)c1ccco1 269982a_100000232712_100000210211 [0,1,0,0,0,1|2,0,0]=4 2466 B13R1.344 C=C(C)CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000730704 [0,1,0,0,0,1|1,0,1]=4 2467 B13R1.344 C=C(C)CCC(=O)Cc1ccco1 1458a_100011217309_100000730704 [0,1,0,0,0,1|0,0,1]=3 2468 B13R1.344 C=C(C)CCC(=O)Cc1cccs1 1458a_100000210189_100000730704 [0,1,0,0,0,1|0,1,1]=4 2469 B13R1.344 C=C(C)CCC(=O)Cc1ncco1 1458a_200000688413_103436540062 [0,1,0,0,0,1|1,0,1]=4 2470 B13R1.344 C=C(C)CNC(=O)Cc1ccco1 11a_100000765925_100011217309 [0,1,0,0,0,1|1,0,1]=4 2471 B13R1.344 C=C(C)CNC(=O)Cc1ccco1 527a_100000765925_100011217309 [0,1,0,0,0,1|1,0,1]=4 2472 B13R1.344 CC(=CCC(=O)Cc1ccco1)C 1458a_100011217309_100000761012 [0,1,0,0,0,1|0,0,2]=4 2473 B13R1.344 CC(C)CCC(=O)Cc1c[nH]cn1 1458a_100000181311_100000707719 [0,1,0,0,0,1|2,0,0]=4 2474 B13R1.344 CC(C)CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210312 [0,1,0,0,0,1|2,0,0]=4 2475 B13R1.344 CC(C)CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210312 [0,1,0,0,0,1|1,0,0]=3 2476 B13R1.344 CC(C)CCC(=O)Cc1ccco1 1458a_100011217309_100000210312 [0,1,0,0,0,1|0,0,0]=2 2477 B13R1.344 CC(C)CCC(=O)Cc1cccs1 1458a_100000210189_100000210312 [0,1,0,0,0,1|0,1,0]=3 2478 B13R1.344 CC(C)CCC(=O)Cc1ccn[nH]1 1458a_100000181311_100000728653 [0,1,0,0,0,1|2,0,0]=4 2479 B13R1.344 CC(C)CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210312 [0,1,0,0,0,1|2,0,0]=4 2480 B13R1.344 CC(C)CCC(=O)Cc1ccoc1 1458a_100000684892_100000210312 [0,1,0,0,0,1|2,0,0]=4 2481 B13R1.344 CC(C)CCC(=O)Cc1ccon1 1458a_100000181311_100000234950 [0,1,0,0,0,1|2,0,0]=4 2482 B13R1.344 CC(C)CCC(=O)Cc1ccsc1 1458a_100000181311_100011233845 [0,1,0,0,0,1|2,0,0]=4 2483 B13R1.344 CC(C)CCC(=O)Cc1ccsc1 1458a_100000184062_100000210312 [0,1,0,0,0,1|2,0,0]=4 2484 B13R1.344 CC(C)CCC(=O)Cc1cncs1 1458a_100000181311_100015185245 [0,1,0,0,0,1|1,1,0]=4 2485 B13R1.344 CC(C)CCC(=O)Cc1cscn1 1458a_100000181311_100000205941 [0,1,0,0,0,1|2,0,0]=4 2486 B13R1.344 CC(C)CCC(=O)Cc1cscn1 1458a_100011438297_100000210312 [0,1,0,0,0,1|2,0,0]=4 2487 B13R1.344 CC(C)CCC(=O)Cc1ncco1 1458a_100000181311_103436540062 [0,1,0,0,0,1|1,0,0]=3 2488 B13R1.344 CC(C)CCC(=O)Cc1nccs1 1458a_100000181311_100015184050 [0,1,0,0,0,1|1,1,0]=4 2489 B13R1.344 CC(C)CCC(=O)Cn1cccc1 1458a_100011196272_100000210312 [0,1,0,0,0,1|2,0,0]=4 2490 B13R1.344 CC(C)CCC(=O)Cn1cccn1 1458a_100000233772_100000210312 [0,1,0,0,0,1|2,0,0]=4 2491 B13R1.344 CC(C)CCC(C)Sc1ccco1 62a_100009814098_100011261404 [0,1,0,0,0,1|1,0,1]=4 2492 B13R1.344 CC(C)CCC(C)Sc1ccco1 62a_100011261404_100009814098 [0,1,0,0,0,1|1,0,1]=4 2493 B13R1.344 CC(C)CCN(C)Cc1ccco1 2230a_100000185268_100000210312 [0,1,0,0,0,1|2,0,0]=4 2494 B13R1.344 CC(C)CCN(C)Cc1ccco1 2230a_106741647550_200000210301 [0,1,0,0,0,1|2,0,0]=4 2495 B13R1.344 CC(C)CCN(C)Cc1ccco1 269982a_100000185268_100000210312 [0,1,0,0,0,1|2,0,0]=4 2496 B13R1.344 CC(C)CCN(C)Cc1ccco1 269982a_106741647550_200000210301 [0,1,0,0,0,1|2,0,0]=4 2497 B13R1.344 CC(C)CCN(C)Cc1ccco1 270004a_100000742789_100000186105 [0,1,0,0,0,1|2,0,0]=4 2498 B13R1.344 CC(C)CCN([13CH3])Cc1ccco1 2230a_106741647550_200025704644 [0,1,0,0,0,1|2,0,0]=4 2499 B13R1.344 CC(C)CCN([13CH3])Cc1ccco1 269982a_106741647550_200025704644 [0,1,0,0,0,1|2,0,0]=4 2500 B13R1.344 CC(C)CNC(=O)Cc1ccc[nH]1 11a_100000210953_100000238377 [0,1,0,0,0,1|2,0,0]=4 2501 B13R1.344 CC(C)CNC(=O)Cc1ccc[nH]1 240690a_100000210953_100000238377 [0,1,0,0,0,1|2,0,0]=4 2502 B13R1.344 CC(C)CNC(=O)Cc1ccc[nH]1 527a_100000210953_100000238377 [0,1,0,0,0,1|2,0,0]=4 2503 B13R1.344 CC(C)CNC(=O)Cc1ccco1 11a_100000210953_100011217309 [0,1,0,0,0,1|1,0,0]=3 2504 B13R1.344 CC(C)CNC(=O)Cc1ccco1 527a_100000210953_100011217309 [0,1,0,0,0,1|1,0,0]=3 2505 B13R1.344 CC(C)CNC(=O)Cc1cccs1 11a_100000210953_100000210189 [0,1,0,0,0,1|1,1,0]=4 2506 B13R1.344 CC(C)CNC(=O)Cc1cccs1 1626a_100000210953_100000210189 [0,1,0,0,0,1|1,1,0]=4 2507 B13R1.344 CC(C)CNC(=O)Cc1cccs1 240690a_100000210953_100000210189 [0,1,0,0,0,1|1,1,0]=4 2508 B13R1.344 CC(C)NNC(=O)Cc1ccco1 22a_100000741168_100011217309 [0,1,0,0,0,1|2,0,0]=4 2509 B13R1.344 CC(C)OCC(=O)Cc1ncco1 1458a_100000745533_103436540062 [0,1,0,0,0,1|2,0,0]=4 2510 B13R1.344 CC(C)SCC(=O)Cc1ncco1 1458a_100000241585_103436540062 [0,1,0,0,0,1|2,0,0]=4 2511 B13R1.344 CC(O)CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100012276601 [0,1,0,0,0,1|2,0,0]=4 2512 B13R1.344 CC(O)CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100012276601 [0,1,0,0,0,1|1,0,0]=3 2513 B13R1.344 CC(O)CCC(=O)Cc1ccco1 1458a_100011217309_100012276601 [0,1,0,0,0,1|0,0,0]=2 2514 B13R1.344 CC(O)CCC(=O)Cc1cccs1 1458a_100000210189_100012276601 [0,1,0,0,0,1|0,1,0]=3 2515 B13R1.344 CC(O)CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100012276601 [0,1,0,0,0,1|2,0,0]=4 2516 B13R1.344 CC(O)CCC(=O)Cc1ccoc1 1458a_100000684892_100012276601 [0,1,0,0,0,1|2,0,0]=4 2517 B13R1.344 CC(O)CCC(=O)Cc1ccsc1 1458a_100000184062_100012276601 [0,1,0,0,0,1|2,0,0]=4 2518 B13R1.344 CC(O)CCC(=O)Cc1cscn1 1458a_100011438297_100012276601 [0,1,0,0,0,1|2,0,0]=4 2519 B13R1.344 CC(O)CCC(=O)Cn1cccc1 1458a_100011196272_100012276601 [0,1,0,0,0,1|2,0,0]=4 2520 B13R1.344 CC(O)CCC(=O)Cn1cccn1 1458a_100000233772_100012276601 [0,1,0,0,0,1|2,0,0]=4 2521 B13R1.344 CC(O)CCN(C)Cc1ccco1 2230a_100000185268_100012276601 [0,1,0,0,0,1|2,0,0]=4 2522 B13R1.344 CC(O)CCN(C)Cc1ccco1 269982a_100000185268_100012276601 [0,1,0,0,0,1|2,0,0]=4 2523 B13R1.344 CC(O)CNC(=O)Cc1ccc[nH]1 11a_100000210904_100000238377 [0,1,0,0,0,1|2,0,0]=4 2524 B13R1.344 CC(O)CNC(=O)Cc1ccc[nH]1 240690a_100000210904_100000238377 [0,1,0,0,0,1|2,0,0]=4 2525 B13R1.344 CC(O)CNC(=O)Cc1ccc[nH]1 527a_100000210904_100000238377 [0,1,0,0,0,1|2,0,0]=4 2526 B13R1.344 CC(O)CNC(=O)Cc1ccco1 11a_100000210904_100011217309 [0,1,0,0,0,1|1,0,0]=3 2527 B13R1.344 CC(O)CNC(=O)Cc1ccco1 527a_100000210904_100011217309 [0,1,0,0,0,1|1,0,0]=3 2528 B13R1.344 CC(O)CNC(=O)Cc1cccs1 11a_100000210904_100000210189 [0,1,0,0,0,1|1,1,0]=4 2529 B13R1.344 CC(O)CNC(=O)Cc1cccs1 240690a_100000210904_100000210189 [0,1,0,0,0,1|1,1,0]=4 2530 B13R1.344 C[S+](C)CCC(=O)Cc1ncco1 1458a_100009452791_103436540062 [0,1,0,0,0,1|2,0,0]=4 2531 B13R1.344 O=C(Cc1ccco1)NCC(F)F 11a_100000765723_100011217309 [0,1,0,0,0,1|2,0,0]=4 2532 B13R1.344 O=C(Cc1ccco1)NCC(F)F 527a_100000765723_100011217309 [0,1,0,0,0,1|2,0,0]=4 2533 B13R1.372 CCCCC(CC)Sc1ccco1 62a_100009814098_200011216223 [0,1,0,0,0,1|1,0,1]=4 2534 B13R1.372 CCCCC(CC)Sc1ccco1 62a_200011216223_100009814098 [0,1,0,0,0,1|1,0,1]=4 2535 B13R1.372 CCCCN(CC)Cc1ccco1 2230a_100000739255_100000210211 [0,1,0,0,0,1|2,0,0]=4 2536 B13R1.372 CCCCN(CC)Cc1ccco1 2230a_100015184542_100000210202 [0,1,0,0,0,1|2,0,0]=4 2537 B13R1.372 CCCCN(CC)Cc1ccco1 269982a_100000739255_100000210211 [0,1,0,0,0,1|2,0,0]=4 2538 B13R1.372 CCCCN(CC)Cc1ccco1 269982a_100015184542_100000204670 [0,1,0,0,0,1|2,0,0]=4 2539 B13R1.372 CCCCN(CC)Cc1ccco1 270004a_100000207695_100000186105 [0,1,0,0,0,1|2,0,0]=4 2540 B13R1.372 CCCCN(CF)Cc1ccco1 269982a_100015184542_100015361967 [0,1,0,0,0,1|2,0,0]=4 2541 B13R1.545 CCC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000747405 [0,1,0,0,0,1|1,0,1]=4 2542 B13R1.545 CCC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747405 [0,1,0,0,0,1|0,0,1]=3 2543 B13R1.545 CCC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747405 [0,1,0,0,0,1|0,1,1]=4 2544 B13R1.545 CCC(C)CC(=O)Cc1c[nH]cn1 1458a_100000708755_100000707719 [0,1,0,0,0,1|2,0,0]=4 2545 B13R1.545 CCC(C)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000748023 [0,1,0,0,0,1|2,0,0]=4 2546 B13R1.545 CCC(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000748023 [0,1,0,0,0,1|1,0,0]=3 2547 B13R1.545 CCC(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748023 [0,1,0,0,0,1|0,0,0]=2 2548 B13R1.545 CCC(C)CC(=O)Cc1cccs1 1458a_100000210189_100000748023 [0,1,0,0,0,1|0,1,0]=3 2549 B13R1.545 CCC(C)CC(=O)Cc1ccn[nH]1 1458a_100000708755_100000728653 [0,1,0,0,0,1|2,0,0]=4 2550 B13R1.545 CCC(C)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100000748023 [0,1,0,0,0,1|2,0,0]=4 2551 B13R1.545 CCC(C)CC(=O)Cc1ccoc1 1458a_100000684892_100000748023 [0,1,0,0,0,1|2,0,0]=4 2552 B13R1.545 CCC(C)CC(=O)Cc1ccon1 1458a_100000708755_100000234950 [0,1,0,0,0,1|2,0,0]=4 2553 B13R1.545 CCC(C)CC(=O)Cc1ccsc1 1458a_100000184062_100000748023 [0,1,0,0,0,1|2,0,0]=4 2554 B13R1.545 CCC(C)CC(=O)Cc1ccsc1 1458a_100000708755_100011233845 [0,1,0,0,0,1|2,0,0]=4 2555 B13R1.545 CCC(C)CC(=O)Cc1cncs1 1458a_100000708755_100015185245 [0,1,0,0,0,1|1,1,0]=4 2556 B13R1.545 CCC(C)CC(=O)Cc1cscn1 1458a_100000708755_100000205941 [0,1,0,0,0,1|2,0,0]=4 2557 B13R1.545 CCC(C)CC(=O)Cc1cscn1 1458a_100011438297_100000748023 [0,1,0,0,0,1|2,0,0]=4 2558 B13R1.545 CCC(C)CC(=O)Cc1ncco1 1458a_100000708755_103436540062 [0,1,0,0,0,1|1,0,0]=3 2559 B13R1.545 CCC(C)CC(=O)Cc1nccs1 1458a_100000708755_100015184050 [0,1,0,0,0,1|1,1,0]=4 2560 B13R1.545 CCC(C)CC(=O)Cn1cccc1 1458a_100011196272_100000748023 [0,1,0,0,0,1|2,0,0]=4 2561 B13R1.545 CCC(C)CC(=O)Cn1cccn1 1458a_100000233772_100000748023 [0,1,0,0,0,1|2,0,0]=4 2562 B13R1.545 CCC(C)CN(C)Cc1ccco1 2230a_100000185268_100000748023 [0,1,0,0,0,1|2,0,0]=4 2563 B13R1.545 CCC(C)CN(C)Cc1ccco1 269982a_100000185268_100000748023 [0,1,0,0,0,1|2,0,0]=4 2564 B13R1.545 CCC(C)CN(C)Cc1ccco1 270004a_100000185268_100000243153 [0,1,0,0,0,1|2,0,0]=4 2565 B13R1.545 CCC(C)CN(C)Cc1ccco1 270004a_100000753921_100000186105 [0,1,0,0,0,1|2,0,0]=4 2566 B13R1.545 CCC(C)NC(=O)Cc1ccc[nH]1 11a_100000209981_100000238377 [0,1,0,0,0,1|2,0,0]=4 2567 B13R1.545 CCC(C)NC(=O)Cc1ccc[nH]1 240690a_100000209981_100000238377 [0,1,0,0,0,1|2,0,0]=4 2568 B13R1.545 CCC(C)NC(=O)Cc1ccc[nH]1 527a_100000209981_100000238377 [0,1,0,0,0,1|2,0,0]=4 2569 B13R1.545 CCC(C)NC(=O)Cc1ccco1 11a_100000209981_100011217309 [0,1,0,0,0,1|1,0,0]=3 2570 B13R1.545 CCC(C)NC(=O)Cc1ccco1 527a_100000209981_100011217309 [0,1,0,0,0,1|1,0,0]=3 2571 B13R1.545 CCC(C)NC(=O)Cc1cccs1 11a_100000209981_100000210189 [0,1,0,0,0,1|1,1,0]=4 2572 B13R1.545 CCC(C)NC(=O)Cc1cccs1 1626a_100000209981_100000210189 [0,1,0,0,0,1|1,1,0]=4 2573 B13R1.545 CCC(C)NC(=O)Cc1cccs1 240690a_100000209981_100000210189 [0,1,0,0,0,1|1,1,0]=4 2574 B13R1.545 CCC(O)CC(=O)Cc1c[nH]cn1 1458a_100011667805_100000707719 [0,1,0,0,0,1|2,0,0]=4 2575 B13R1.545 CCC(O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100011218378 [0,1,0,0,0,1|2,0,0]=4 2576 B13R1.545 CCC(O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100011218378 [0,1,0,0,0,1|1,0,0]=3 2577 B13R1.545 CCC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218378 [0,1,0,0,0,1|0,0,0]=2 2578 B13R1.545 CCC(O)CC(=O)Cc1cccs1 1458a_100000210189_100011218378 [0,1,0,0,0,1|0,1,0]=3 2579 B13R1.545 CCC(O)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100011218378 [0,1,0,0,0,1|2,0,0]=4 2580 B13R1.545 CCC(O)CC(=O)Cc1ccn[nH]1 1458a_100011667805_100000728653 [0,1,0,0,0,1|2,0,0]=4 2581 B13R1.545 CCC(O)CC(=O)Cc1ccoc1 1458a_100000684892_100011218378 [0,1,0,0,0,1|2,0,0]=4 2582 B13R1.545 CCC(O)CC(=O)Cc1ccon1 1458a_100011667805_100000234950 [0,1,0,0,0,1|2,0,0]=4 2583 B13R1.545 CCC(O)CC(=O)Cc1ccsc1 1458a_100000184062_100011218378 [0,1,0,0,0,1|2,0,0]=4 2584 B13R1.545 CCC(O)CC(=O)Cc1ccsc1 1458a_100011667805_100011233845 [0,1,0,0,0,1|2,0,0]=4 2585 B13R1.545 CCC(O)CC(=O)Cc1cncs1 1458a_100011667805_100015185245 [0,1,0,0,0,1|1,1,0]=4 2586 B13R1.545 CCC(O)CC(=O)Cc1cscn1 1458a_100011438297_100011218378 [0,1,0,0,0,1|2,0,0]=4 2587 B13R1.545 CCC(O)CC(=O)Cc1cscn1 1458a_100011667805_100000205941 [0,1,0,0,0,1|2,0,0]=4 2588 B13R1.545 CCC(O)CC(=O)Cc1ncco1 1458a_100011667805_103436540062 [0,1,0,0,0,1|1,0,0]=3 2589 B13R1.545 CCC(O)CC(=O)Cc1nccs1 1458a_100011667805_100015184050 [0,1,0,0,0,1|1,1,0]=4 2590 B13R1.545 CCC(O)CC(=O)Cn1cccc1 1458a_100011196272_100011218378 [0,1,0,0,0,1|2,0,0]=4 2591 B13R1.545 CCC(O)CC(=O)Cn1cccn1 1458a_100000233772_100011218378 [0,1,0,0,0,1|2,0,0]=4 2592 B13R1.545 CCC(O)CN(C)Cc1ccco1 2230a_100000185268_100011218378 [0,1,0,0,0,1|2,0,0]=4 2593 B13R1.545 CCC(O)CN(C)Cc1ccco1 269982a_100000185268_100011218378 [0,1,0,0,0,1|2,0,0]=4 2594 B13R1.545 CCN(C)CC(=O)Cc1ncco1 1458a_100116209913_103436540062 [0,1,0,0,0,1|2,0,0]=4 2595 B13R1.545 CC[C@H](C)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100009816398 [0,1,0,0,0,1|2,0,0]=4 2596 B13R1.545 CC[C@H](C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100009816398 [0,1,0,0,0,1|1,0,0]=3 2597 B13R1.545 CC[C@H](C)CC(=O)Cc1ccco1 1458a_100011217309_100009816398 [0,1,0,0,0,1|0,0,0]=2 2598 B13R1.545 CC[C@H](C)CC(=O)Cc1cccs1 1458a_100000210189_100009816398 [0,1,0,0,0,1|0,1,0]=3 2599 B13R1.545 CC[C@H](C)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100009816398 [0,1,0,0,0,1|2,0,0]=4 2600 B13R1.545 CC[C@H](C)CC(=O)Cc1ccoc1 1458a_100000684892_100009816398 [0,1,0,0,0,1|2,0,0]=4 2601 B13R1.545 CC[C@H](C)CC(=O)Cc1ccsc1 1458a_100000184062_100009816398 [0,1,0,0,0,1|2,0,0]=4 2602 B13R1.545 CC[C@H](C)CC(=O)Cc1cscn1 1458a_100011438297_100009816398 [0,1,0,0,0,1|2,0,0]=4 2603 B13R1.545 CC[C@H](C)CC(=O)Cn1cccc1 1458a_100011196272_100009816398 [0,1,0,0,0,1|2,0,0]=4 2604 B13R1.545 CC[C@H](C)CC(=O)Cn1cccn1 1458a_100000233772_100009816398 [0,1,0,0,0,1|2,0,0]=4 2605 B13R1.545 CC[C@H](C)CN(C)Cc1ccco1 2230a_100000185268_100009816398 [0,1,0,0,0,1|2,0,0]=4 2606 B13R1.545 CC[C@H](C)CN(C)Cc1ccco1 269982a_100000185268_100009816398 [0,1,0,0,0,1|2,0,0]=4 2607 B13R1.545 CNC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000183359 [0,1,0,0,0,1|1,0,1]=4 2608 B13R1.545 COC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747449 [0,1,0,0,0,1|1,0,1]=4 2609 B13R1.545 C[C@@H](CO)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000059175 [0,1,0,0,0,1|2,0,0]=4 2610 B13R1.545 C[C@@H](CO)CC(=O)Cc1ccco1 1458a_100011217309_100000059175 [0,1,0,0,0,1|1,0,0]=3 2611 B13R1.545 C[C@@H](CO)CC(=O)Cc1cccs1 1458a_100000210189_100000059175 [0,1,0,0,0,1|1,1,0]=4 2612 B13R1.545 C[C@H](CF)NC(=O)Cc1ccco1 11a_100102880703_100011217309 [0,1,0,0,0,1|2,0,0]=4 2613 B13R1.545 C[C@H](CF)NC(=O)Cc1ccco1 527a_100102880703_100011217309 [0,1,0,0,0,1|2,0,0]=4 2614 B13R1.545 C[C@H](CO)NC(=O)Cc1ccco1 527a_100000737577_100011217309 [0,1,0,0,0,1|2,0,0]=4 2615 B13R1.686 CCCCC(=Cc1sccc1C)Br 271570a_206741709834_100000742657 [0,1,0,0,0,1|1,1,0]=4 2616 B13R1.686 CCCCC(=O)Cc1ccnn1C 1458a_100000210183_100000691648 [0,1,0,0,0,1|2,0,0]=4 2617 B13R1.686 CCCCC(=O)Cc1ccsc1Br 1458a_100000210183_100009814289 [0,1,0,0,0,1|2,0,0]=4 2618 B13R1.686 CCCCC(=O)Cc1ccsc1Cl 1458a_100000210183_100010167017 [0,1,0,0,0,1|2,0,0]=4 2619 B13R1.686 CCCCC(=O)Cc1nc[nH]c1C 1458a_100000210183_100000751220 [0,1,0,0,0,1|2,0,0]=4 2620 B13R1.686 CCCCC(=O)Cc1ncoc1C 1458a_100000210183_200000693990 [0,1,0,0,0,1|2,0,0]=4 2621 B13R1.686 CCCCC(=O)Cn1nccc1C 1458a_100000759144_100000210211 [0,1,0,0,0,1|2,0,0]=4 2622 B13R1.686 CCCCN(C)Cc1occc1Br 270004a_100000207549_100000756499 [0,1,0,0,0,1|2,0,0]=4 2623 B13R1.686 CCCCN(C)Cc1occc1C 2230a_100000734364_100000210211 [0,1,0,0,0,1|2,0,0]=4 2624 B13R1.686 CCCCN(C)Cc1occc1C 269982a_100000734364_100000210211 [0,1,0,0,0,1|2,0,0]=4 2625 B13R1.686 CCCCN(C)Cc1occc1C 270004a_100000207549_100000763527 [0,1,0,0,0,1|2,0,0]=4 2626 B13R1.10 CCC(=O)CC(=O)c1ccc(s1)Br 1458a_100000210414_100000185163 [0,2,0,0,0,0|0,1,1]=4 2627 B13R1.10 CCC(=O)CC(=O)c1ccc(s1)C 1458a_100000210414_100011262362 [0,2,0,0,0,0|0,1,1]=4 2628 B13R1.10 CCC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000210414_100000185135 [0,2,0,0,0,0|0,1,1]=4 2629 B13R1.10 CCN(C)CC(=O)c1ccc(s1)Br 2230a_100000225621_100000185163 [0,2,0,0,0,0|1,1,0]=4 2630 B13R1.10 CCN(C)CC(=O)c1ccc(s1)Br 269982a_100000225621_100000185163 [0,2,0,0,0,0|1,1,0]=4 2631 B13R1.10 CCN(C)CC(=O)c1ccc(s1)C 2230a_100000225621_100011262362 [0,2,0,0,0,0|1,1,0]=4 2632 B13R1.10 CCN(C)CC(=O)c1ccc(s1)C 269982a_100000225621_100011262362 [0,2,0,0,0,0|1,1,0]=4 2633 B13R1.10 CCN(C)CC(=O)c1ccc(s1)Cl 2230a_100000225621_100000185135 [0,2,0,0,0,0|1,1,0]=4 2634 B13R1.10 CCN(C)CC(=O)c1ccc(s1)Cl 269982a_100000225621_100000185135 [0,2,0,0,0,0|1,1,0]=4 2635 B13R1.33 C#CCC(=O)CC(=O)c1ccco1 1458a_100011220946_100000211439 [0,2,0,0,0,0|0,0,2]=4 2636 B13R1.33 C=CCC(=O)CC(=O)c1ccco1 1458a_100000210193_100000211439 [0,2,0,0,0,0|0,0,2]=4 2637 B13R1.33 C=CCN(C)CC(=O)c1ccco1 269982a_100000225617_100000211439 [0,2,0,0,0,0|0,0,2]=4 2638 B13R1.33 CC#CC(=O)CC(=O)c1ccco1 1458a_100000763181_100000211439 [0,2,0,0,0,0|0,0,2]=4 2639 B13R1.33 CC=CC(=O)CC(=O)c1ccco1 1458a_100000210699_100000211439 [0,2,0,0,0,0|0,0,2]=4 2640 B13R1.33 CCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000211992_200011262396 [0,2,0,0,0,0|1,0,0]=3 2641 B13R1.33 CCCC(=O)CC(=O)c1ccco1 1458a_100000211992_100000211439 [0,2,0,0,0,0|0,0,0]=2 2642 B13R1.33 CCCC(=O)CC(=O)c1cccs1 1458a_100000211992_100000211436 [0,2,0,0,0,0|0,1,0]=3 2643 B13R1.33 CCCC(=O)CC(=O)c1ccsc1 1458a_100000211992_100011219462 [0,2,0,0,0,0|2,0,0]=4 2644 B13R1.33 CCCC(=O)CC(=O)c1nccs1 1458a_100000211992_100000718653 [0,2,0,0,0,0|1,1,0]=4 2645 B13R1.33 CCCC(=O)CC(=O)n1cccn1 1458a_100000211992_100000077511 [0,2,0,0,0,0|2,0,0]=4 2646 B13R1.33 CCCC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000766640 [0,2,0,0,0,0|1,0,1]=4 2647 B13R1.33 CCCC(C)N[C@H](C)c1ccco1 270004a_100160469435_100000211909 [0,2,0,0,0,0|1,0,1]=4 2648 B13R1.33 CCCC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000766640 [0,2,0,0,0,0|1,0,1]=4 2649 B13R1.33 CCCC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000766640 [0,2,0,0,0,0|1,0,1]=4 2650 B13R1.33 CCCN(C)CC(=O)c1ccc[nH]1 269982a_100000747261_200011262396 [0,2,0,0,0,0|1,0,0]=3 2651 B13R1.33 CCCN(C)CC(=O)c1ccco1 269982a_100000747261_100000211439 [0,2,0,0,0,0|0,0,0]=2 2652 B13R1.33 CCCN(C)CC(=O)c1cccs1 2230a_100000747261_100000211436 [0,2,0,0,0,0|0,1,0]=3 2653 B13R1.33 CCCN(C)CC(=O)c1cccs1 269982a_100000747261_100000211436 [0,2,0,0,0,0|0,1,0]=3 2654 B13R1.33 CCCN(C)CC(=O)c1ccsc1 2230a_100000747261_100011219462 [0,2,0,0,0,0|2,0,0]=4 2655 B13R1.33 CCCN(C)CC(=O)c1ccsc1 269982a_100000747261_100011219462 [0,2,0,0,0,0|2,0,0]=4 2656 B13R1.33 CCCN(C)CC(=O)c1nccs1 269982a_100000747261_100000718653 [0,2,0,0,0,0|1,1,0]=4 2657 B13R1.33 CCCN(C)CC(=O)n1cccn1 2230a_100000747261_100000077511 [0,2,0,0,0,0|2,0,0]=4 2658 B13R1.33 CCCN(C)CC(=O)n1cccn1 269982a_100000747261_100000077511 [0,2,0,0,0,0|2,0,0]=4 2659 B13R1.33 CN(CCO)CC(=O)c1ccc[nH]1 269982a_100000210263_200011262396 [0,2,0,0,0,0|2,0,0]=4 2660 B13R1.33 CN(CCO)CC(=O)c1ccco1 269982a_100000210263_100000211439 [0,2,0,0,0,0|1,0,0]=3 2661 B13R1.33 CN(CCO)CC(=O)c1cccs1 2230a_100000210263_100000211436 [0,2,0,0,0,0|1,1,0]=4 2662 B13R1.33 CN(CCO)CC(=O)c1cccs1 269982a_100000210263_100000211436 [0,2,0,0,0,0|1,1,0]=4 2663 B13R1.33 CNCC(=O)NC(=O)c1ccco1 2230a_106832991635_100000021957 [0,2,0,0,0,0|1,0,1]=4 2664 B13R1.33 CNCC(=O)NC(=O)c1ccco1 7a_106832991635_100000021957 [0,2,0,0,0,0|1,0,1]=4 2665 B13R1.33 COCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210968_200011262396 [0,2,0,0,0,0|1,0,1]=4 2666 B13R1.33 COCC(=O)CC(=O)c1ccco1 1458a_100000210968_100000211439 [0,2,0,0,0,0|0,0,1]=3 2667 B13R1.33 COCC(=O)CC(=O)c1cccs1 1458a_100000210968_100000211436 [0,2,0,0,0,0|0,1,1]=4 2668 B13R1.33 CSCC(=O)CC(=O)c1ccc[nH]1 1458a_100000184570_200011262396 [0,2,0,0,0,0|1,0,1]=4 2669 B13R1.33 CSCC(=O)CC(=O)c1ccco1 1458a_100000184570_100000211439 [0,2,0,0,0,0|0,0,1]=3 2670 B13R1.33 CSCC(=O)CC(=O)c1cccs1 1458a_100000184570_100000211436 [0,2,0,0,0,0|0,1,1]=4 2671 B13R1.33 CSCC(=O)NC(=O)c1ccco1 62a_200000210301_100000021957 [0,2,0,0,0,0|1,0,1]=4 2672 B13R1.33 N#CCC(=O)CC(=O)c1ccco1 1458a_100051588842_100000211439 [0,2,0,0,0,0|0,0,2]=4 2673 B13R1.33 O=C(CCO)CC(=O)c1ccc[nH]1 1458a_100011216618_200011262396 [0,2,0,0,0,0|1,0,1]=4 2674 B13R1.33 O=C(CCO)CC(=O)c1ccco1 1458a_100011216618_100000211439 [0,2,0,0,0,0|0,0,1]=3 2675 B13R1.33 O=C(CCO)CC(=O)c1cccs1 1458a_100011216618_100000211436 [0,2,0,0,0,0|0,1,1]=4 2676 B13R1.33 [13CH3]SCC(=O)NC(=O)c1ccco1 62a_200025704644_100000021957 [0,2,0,0,0,0|1,0,1]=4 2677 B13R1.65 CCN(CC)CC(=O)c1ccc[nH]1 269956a_100000042499_200011262396 [0,2,0,0,0,0|2,0,0]=4 2678 B13R1.65 CCN(CC)CC(=O)c1ccc[nH]1 269982a_100000724800_200011262396 [0,2,0,0,0,0|2,0,0]=4 2679 B13R1.65 CCN(CC)CC(=O)c1ccco1 269956a_100000042499_100000211439 [0,2,0,0,0,0|1,0,0]=3 2680 B13R1.65 CCN(CC)CC(=O)c1ccco1 269982a_100000724800_100000211439 [0,2,0,0,0,0|1,0,0]=3 2681 B13R1.65 CCN(CC)CC(=O)c1cccs1 2230a_100000724800_100000211436 [0,2,0,0,0,0|1,1,0]=4 2682 B13R1.65 CCN(CC)CC(=O)c1cccs1 269956a_100000042499_100000211436 [0,2,0,0,0,0|1,1,0]=4 2683 B13R1.65 CCN(CC)CC(=O)c1cccs1 269982a_100000724800_100000211436 [0,2,0,0,0,0|1,1,0]=4 2684 B13R1.83 CCC(=O)C(C)C(=O)c1cccs1 1458a_100000210414_100011262360 [0,2,0,0,0,0|0,1,1]=4 2685 B13R1.83 CCN(C)C(C)C(=O)c1cccs1 2230a_100000225621_100011262360 [0,2,0,0,0,0|1,1,0]=4 2686 B13R1.83 CCN(C)C(C)C(=O)c1cccs1 269982a_100000225621_100011262360 [0,2,0,0,0,0|1,1,0]=4 2687 B13R1.339 C=C(C)C(=O)CC(=O)c1ccco1 1458a_100000185857_100000211439 [0,2,0,0,0,0|0,0,2]=4 2688 B13R1.339 CC(=O)C(C)NC(=O)c1ccco1 1458a_100000183254_200000210301 [0,2,0,0,0,0|1,0,1]=4 2689 B13R1.339 CC(C)C(=O)CC(=O)c1ccc[nH]1 1458a_100000210198_200011262396 [0,2,0,0,0,0|1,0,1]=4 2690 B13R1.339 CC(C)C(=O)CC(=O)c1ccco1 1458a_100000210198_100000211439 [0,2,0,0,0,0|0,0,1]=3 2691 B13R1.339 CC(C)C(=O)CC(=O)c1cccs1 1458a_100000210198_100000211436 [0,2,0,0,0,0|0,1,1]=4 2692 B13R1.339 CC(C)N(C)CC(=O)c1ccc[nH]1 269982a_200000211004_200011262396 [0,2,0,0,0,0|2,0,0]=4 2693 B13R1.339 CC(C)N(C)CC(=O)c1ccco1 269982a_200000211004_100000211439 [0,2,0,0,0,0|1,0,0]=3 2694 B13R1.339 CC(C)N(C)CC(=O)c1cccs1 269982a_200000211004_100000211436 [0,2,0,0,0,0|1,1,0]=4 2695 B13R1.339 CC(F)C(=O)CC(=O)c1ccc[nH]1 1458a_100000062450_200011262396 [0,2,0,0,0,0|1,0,1]=4 2696 B13R1.339 CC(F)C(=O)CC(=O)c1ccco1 1458a_100000062450_100000211439 [0,2,0,0,0,0|0,0,1]=3 2697 B13R1.339 CC(F)C(=O)CC(=O)c1cccs1 1458a_100000062450_100000211436 [0,2,0,0,0,0|0,1,1]=4 2698 B13R1.339 CC(NC(=O)c1ccco1)C(=O)[13CH3] 1458a_100000183254_200025704644 [0,2,0,0,0,0|1,0,1]=4 2699 B13R1.339 C[C@@H](O)C(=O)CC(=O)c1ccc[nH]1 1458a_100000717761_200011262396 [0,2,0,0,0,0|1,0,1]=4 2700 B13R1.339 C[C@@H](O)C(=O)CC(=O)c1ccco1 1458a_100000717761_100000211439 [0,2,0,0,0,0|0,0,1]=3 2701 B13R1.339 C[C@@H](O)C(=O)CC(=O)c1cccs1 1458a_100000717761_100000211436 [0,2,0,0,0,0|0,1,1]=4 2702 B13R1.339 C[C@H](O)C(=O)CC(=O)c1ccc[nH]1 1458a_217856618621_200011262396 [0,2,0,0,0,0|1,0,1]=4 2703 B13R1.339 C[C@H](O)C(=O)CC(=O)c1ccco1 1458a_217856618621_100000211439 [0,2,0,0,0,0|0,0,1]=3 2704 B13R1.339 C[C@H](O)C(=O)CC(=O)c1cccs1 1458a_217856618621_100000211436 [0,2,0,0,0,0|0,1,1]=4 2705 B13R1.339 O=C(CC(=O)C(O)O)c1ccco1 1458a_100000233687_100000211439 [0,2,0,0,0,0|1,0,1]=4 2706 B13R1.439 CCC(=O)CC(=O)c1cccn1C 1458a_100000210414_200011262399 [0,2,0,0,0,0|1,0,1]=4 2707 B13R1.439 CCC(=O)CC(=O)c1sccc1Br 1458a_100000210414_100000740827 [0,2,0,0,0,0|0,1,1]=4 2708 B13R1.439 CCN(C)CC(=O)c1cccn1C 2230a_100000225621_200011262399 [0,2,0,0,0,0|2,0,0]=4 2709 B13R1.439 CCN(C)CC(=O)c1cccn1C 269982a_100000225621_200011262399 [0,2,0,0,0,0|2,0,0]=4 2710 B13R1.439 CCN(C)CC(=O)c1sccc1Br 2230a_100000225621_100000740827 [0,2,0,0,0,0|1,1,0]=4 2711 B13R1.439 CCN(C)CC(=O)c1sccc1Br 269982a_100000225621_100000740827 [0,2,0,0,0,0|1,1,0]=4 2712 B13R1.544 CCC(C)NS(=O)(=O)c1ccco1 270084a_100000209981_200000702926 [0,2,0,0,0,0|2,0,0]=4 2713 B13R1.544 CCC(C)NS(=O)(=O)c1ccco1 274078a_100000209981_200000702926 [0,2,0,0,0,0|2,0,0]=4 2714 B13R1.23 CCC=NNC(=O)c1ccc(o1)Br 4a_100000186364_100000210100 [0,2,0,0,0,0|1,0,1]=4 2715 B13R1.23 CCC=NNC(=O)c1ccc(o1)C 4a_100000189940_100000210100 [0,2,0,0,0,0|1,0,1]=4 2716 B13R1.23 CCCCNC(=O)c1ccc(o1)O 271570a_203496583355_200000159057 [0,2,0,0,0,0|0,0,0]=2 2717 B13R1.23 CCCCNC(C)c1ccc(o1)C 269862a_100000102301_100000204583 [0,2,0,0,0,0|1,0,1]=4 2718 B13R1.23 CCCNN=C(C)c1ccc(o1)Br 4a_100000740057_100000229899 [0,2,0,0,0,0|2,0,0]=4 2719 B13R1.23 CCCNN=C(C)c1ccc(o1)C 4a_100000740057_100000204583 [0,2,0,0,0,0|2,0,0]=4 2720 B13R1.23 CCCOCC(=O)c1ccc(s1)C 34a_100000210258_100011262362 [0,2,0,0,0,0|0,1,0]=3 2721 B13R1.23 CCCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000210303 [0,2,0,0,0,0|0,1,0]=3 2722 B13R1.23 CCCSCC(=O)c1ccc(s1)C 62a_100000210303_100011262362 [0,2,0,0,0,0|0,1,0]=3 2723 B13R1.23 CCCSCC(=O)c1ccc(s1)C 62a_100011262362_100000210303 [0,2,0,0,0,0|0,1,0]=3 2724 B13R1.23 CCCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000210303 [0,2,0,0,0,0|0,1,0]=3 2725 B13R1.23 CCCSCC(=O)c1ccc(s1)Cl 62a_100000210303_100000185135 [0,2,0,0,0,0|0,1,0]=3 2726 B13R1.23 CCNCCC(C)c1ccc(o1)C 270004a_100015525214_200000043041 [0,2,0,0,0,0|1,0,1]=4 2727 B13R1.23 COCCNC(=O)c1ccc(o1)O 271570a_203496583355_100000157853 [0,2,0,0,0,0|1,0,0]=3 2728 B13R1.23 COCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000766300 [0,2,0,0,0,0|1,1,0]=4 2729 B13R1.23 COCSCC(=O)c1ccc(s1)C 62a_100000766300_100011262362 [0,2,0,0,0,0|1,1,0]=4 2730 B13R1.23 COCSCC(=O)c1ccc(s1)C 62a_100011262362_100000766300 [0,2,0,0,0,0|1,1,0]=4 2731 B13R1.23 COCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000766300 [0,2,0,0,0,0|1,1,0]=4 2732 B13R1.23 COCSCC(=O)c1ccc(s1)Cl 62a_100000766300_100000185135 [0,2,0,0,0,0|1,1,0]=4 2733 B13R1.23 CSCSCC(=O)c1ccc(s1)Br 62a_100000185163_100011218213 [0,2,0,0,0,0|1,1,0]=4 2734 B13R1.23 CSCSCC(=O)c1ccc(s1)C 62a_100011218213_100011262362 [0,2,0,0,0,0|1,1,0]=4 2735 B13R1.23 CSCSCC(=O)c1ccc(s1)C 62a_100011262362_100011218213 [0,2,0,0,0,0|1,1,0]=4 2736 B13R1.23 CSCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100011218213 [0,2,0,0,0,0|1,1,0]=4 2737 B13R1.23 CSCSCC(=O)c1ccc(s1)Cl 62a_100011218213_100000185135 [0,2,0,0,0,0|1,1,0]=4 2738 B13R1.23 Cc1ccc(s1)C(=O)CNCCF 34a_100000724931_100011262362 [0,2,0,0,0,0|1,1,0]=4 2739 B13R1.23 Cc1ccc(s1)C(=O)CNCCO 2230a_100016997473_100011262362 [0,2,0,0,0,0|1,1,0]=4 2740 B13R1.23 Cc1ccc(s1)C(=O)CNCCO 34a_100016990907_100011262362 [0,2,0,0,0,0|1,1,0]=4 2741 B13R1.23 Cc1ccc(s1)C(=O)COCCBr 34a_100000211926_100011262362 [0,2,0,0,0,0|1,1,0]=4 2742 B13R1.23 Cc1ccc(s1)C(=O)COCCN 34a_100000210304_100011262362 [0,2,0,0,0,0|1,1,0]=4 2743 B13R1.23 Cc1ccc(s1)C(=O)CSCCF 62a_100011217306_100011262362 [0,2,0,0,0,0|1,1,0]=4 2744 B13R1.23 Cc1ccc(s1)C(=O)CSCCF 62a_100011262362_100011217306 [0,2,0,0,0,0|1,1,0]=4 2745 B13R1.23 Cc1ccc(s1)C(=O)CSCCO 62a_100000211926_100011262362 [0,2,0,0,0,0|1,1,0]=4 2746 B13R1.23 Cc1ccc(s1)C(=O)CSCCO 62a_100011262362_100000211926 [0,2,0,0,0,0|1,1,0]=4 2747 B13R1.23 O=C(CNCCO)c1ccc(s1)Br 2230a_100016997473_100000185163 [0,2,0,0,0,0|1,1,0]=4 2748 B13R1.23 O=C(CNCCO)c1ccc(s1)Cl 2230a_100016997473_100000185135 [0,2,0,0,0,0|1,1,0]=4 2749 B13R1.23 O=C(CSCCF)c1ccc(s1)Br 62a_100000185163_100011217306 [0,2,0,0,0,0|1,1,0]=4 2750 B13R1.23 O=C(CSCCF)c1ccc(s1)Cl 62a_100000185135_100011217306 [0,2,0,0,0,0|1,1,0]=4 2751 B13R1.23 O=C(CSCCF)c1ccc(s1)Cl 62a_100011217306_100000185135 [0,2,0,0,0,0|1,1,0]=4 2752 B13R1.23 O=C(CSCCO)c1ccc(s1)Br 62a_100000185163_100000211926 [0,2,0,0,0,0|1,1,0]=4 2753 B13R1.23 O=C(CSCCO)c1ccc(s1)Cl 62a_100000185135_100000211926 [0,2,0,0,0,0|1,1,0]=4 2754 B13R1.23 O=C(CSCCO)c1ccc(s1)Cl 62a_100000211926_100000185135 [0,2,0,0,0,0|1,1,0]=4 2755 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)Br 1458a_100000183800_200000210301 [0,2,0,0,0,0|1,0,1]=4 2756 B13R1.129 CC(C)CNC(=O)c1ccc(o1)O 271570a_203496583355_100000160793 [0,2,0,0,0,0|1,0,0]=3 2757 B13R1.129 CC(C)NCC(=O)c1ccc(s1)Br 2230a_100138425928_100000185163 [0,2,0,0,0,0|1,1,0]=4 2758 B13R1.129 CC(C)NCC(=O)c1ccc(s1)Cl 2230a_100138425928_100000185135 [0,2,0,0,0,0|1,1,0]=4 2759 B13R1.129 CC(C)SCC(=O)c1ccc(s1)Br 62a_100000185163_100000210206 [0,2,0,0,0,0|1,1,0]=4 2760 B13R1.129 CC(C)SCC(=O)c1ccc(s1)Cl 62a_100000185135_100000210206 [0,2,0,0,0,0|1,1,0]=4 2761 B13R1.129 CC(C)SCC(=O)c1ccc(s1)Cl 62a_100000210206_100000185135 [0,2,0,0,0,0|1,1,0]=4 2762 B13R1.129 Cc1ccc(s1)C(=O)CNC(C)C 2230a_100138425928_100011262362 [0,2,0,0,0,0|1,1,0]=4 2763 B13R1.129 Cc1ccc(s1)C(=O)CNC(C)C 34a_100138425928_100011262362 [0,2,0,0,0,0|1,1,0]=4 2764 B13R1.129 Cc1ccc(s1)C(=O)COC(C)C 34a_100000212225_100011262362 [0,2,0,0,0,0|1,1,0]=4 2765 B13R1.129 Cc1ccc(s1)C(=O)CSC(C)C 62a_100000210206_100011262362 [0,2,0,0,0,0|1,1,0]=4 2766 B13R1.129 Cc1ccc(s1)C(=O)CSC(C)C 62a_100011262362_100000210206 [0,2,0,0,0,0|1,1,0]=4 2767 B13R1.129 [13CH3]C(=O)CNC(=O)c1ccc(o1)Br 1458a_100000183800_200025704644 [0,2,0,0,0,0|1,0,1]=4 2768 B13R1.679 C=Cc1ccc(o1)C(=O)NCCC 271570a_100011290941_200000161738 [0,2,0,0,0,0|1,0,0]=3 2769 B13R1.679 C=Cc1ccc(s1)C(=O)NCCC 271570a_100011290941_200000152264 [0,2,0,0,0,0|1,1,0]=4 2770 B13R1.679 CCCNC(=O)c1ccc(o1)SC 62a_200000210301_200000161738 [0,2,0,0,0,0|1,0,0]=3 2771 B13R1.679 CCCNC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_200000161738 [0,2,0,0,0,0|1,0,0]=3 2772 B13R1.679 CCCNC(=O)c1ccc(s1)NC 27a_100102657272_200000152264 [0,2,0,0,0,0|1,1,0]=4 2773 B13R1.679 CCCNC(=O)c1ccc(s1)SC 62a_200000152264_200000210301 [0,2,0,0,0,0|1,1,0]=4 2774 B13R1.679 CCCNC(=O)c1ccc(s1)SC 62a_200000210301_200000152264 [0,2,0,0,0,0|1,1,0]=4 2775 B13R1.679 CCCNC(=O)c1ccc(s1)S[13CH3] 62a_200000152264_200025704644 [0,2,0,0,0,0|1,1,0]=4 2776 B13R1.679 CCCNC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000152264 [0,2,0,0,0,0|1,1,0]=4 2777 B13R1.679 CCNCC(=O)c1ccc(s1)C#N 2230a_100015525214_100009817167 [0,2,0,0,0,0|1,1,0]=4 2778 B13R1.679 CCSCC(=O)c1ccc(s1)C#N 62a_100000210202_100009817167 [0,2,0,0,0,0|1,1,0]=4 2779 B13R1.680 CCSCC(=O)n1oc(cc1=O)C 62a_100000210202_100000023040 [0,2,0,0,0,0|2,0,0]=4 2780 B13R1.2505 CCNCC(=O)c1scc(c1Br)Br 2230a_100015525214_100012351080 [0,2,0,0,0,0|1,1,0]=4 2781 B13R1.2505 CCSCC(=O)c1scc(c1Br)Br 62a_100000210202_100012351080 [0,2,0,0,0,0|1,1,0]=4 2782 B13R1.2505 CCSCC(=O)c1scc(c1Br)Br 62a_100012351080_100000210202 [0,2,0,0,0,0|1,1,0]=4 2783 B13R1.48 C#CCCSCC(=O)c1ccc[nH]1 62a_100000688953_200011262396 [0,2,0,0,0,0|1,0,1]=4 2784 B13R1.48 C#CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000688953 [0,2,0,0,0,0|1,0,1]=4 2785 B13R1.48 C#CCCSCC(=O)c1ccco1 62a_100000211439_100000688953 [0,2,0,0,0,0|0,0,1]=3 2786 B13R1.48 C#CCCSCC(=O)c1ccco1 62a_100000688953_100000211439 [0,2,0,0,0,0|0,0,1]=3 2787 B13R1.48 C#CCCSCC(=O)c1cccs1 62a_100000211436_100000688953 [0,2,0,0,0,0|0,1,1]=4 2788 B13R1.48 C#CCCSCC(=O)c1cccs1 62a_100000688953_100000211436 [0,2,0,0,0,0|0,1,1]=4 2789 B13R1.48 C#CCSCCC(=O)c1cccs1 62a_100000038162_100011290775 [0,2,0,0,0,0|0,1,1]=4 2790 B13R1.48 C/C=C/CSCC(=O)c1ccc[nH]1 62a_100102629194_200011262396 [0,2,0,0,0,0|1,0,1]=4 2791 B13R1.48 C/C=C/CSCC(=O)c1ccc[nH]1 62a_200011262396_100102629194 [0,2,0,0,0,0|1,0,1]=4 2792 B13R1.48 C/C=C/CSCC(=O)c1ccco1 62a_100000211439_100102629194 [0,2,0,0,0,0|0,0,1]=3 2793 B13R1.48 C/C=C/CSCC(=O)c1ccco1 62a_100102629194_100000211439 [0,2,0,0,0,0|0,0,1]=3 2794 B13R1.48 C/C=C/CSCC(=O)c1cccs1 62a_100000211436_100102629194 [0,2,0,0,0,0|0,1,1]=4 2795 B13R1.48 C/C=C/CSCC(=O)c1cccs1 62a_100102629194_100000211436 [0,2,0,0,0,0|0,1,1]=4 2796 B13R1.48 C=CCCNCC(=O)c1cccs1 2230a_100015191253_100000211436 [0,2,0,0,0,0|0,1,1]=4 2797 B13R1.48 C=CCCSCC(=O)c1ccc[nH]1 62a_100000754431_200011262396 [0,2,0,0,0,0|1,0,1]=4 2798 B13R1.48 C=CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000754431 [0,2,0,0,0,0|1,0,1]=4 2799 B13R1.48 C=CCCSCC(=O)c1ccco1 62a_100000211439_100000754431 [0,2,0,0,0,0|0,0,1]=3 2800 B13R1.48 C=CCCSCC(=O)c1ccco1 62a_100000754431_100000211439 [0,2,0,0,0,0|0,0,1]=3 2801 B13R1.48 C=CCCSCC(=O)c1cccs1 62a_100000211436_100000754431 [0,2,0,0,0,0|0,1,1]=4 2802 B13R1.48 C=CCCSCC(=O)c1cccs1 62a_100000754431_100000211436 [0,2,0,0,0,0|0,1,1]=4 2803 B13R1.48 C=CCNCCC(=O)c1cccs1 2230a_100020586998_100011290775 [0,2,0,0,0,0|0,1,1]=4 2804 B13R1.48 C=CCSCCC(=O)c1cccs1 62a_100000210623_100011290775 [0,2,0,0,0,0|0,1,1]=4 2805 B13R1.48 C=CCSCCC(=O)c1cccs1 62a_100011290775_100000210623 [0,2,0,0,0,0|0,1,1]=4 2806 B13R1.48 CC#CCNCC(=O)c1cccs1 2230a_100000685387_100000211436 [0,2,0,0,0,0|0,1,1]=4 2807 B13R1.48 CC#CCSCC(=O)c1ccc[nH]1 62a_100000748600_200011262396 [0,2,0,0,0,0|1,0,1]=4 2808 B13R1.48 CC#CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000748600 [0,2,0,0,0,0|1,0,1]=4 2809 B13R1.48 CC#CCSCC(=O)c1ccco1 62a_100000211439_100000748600 [0,2,0,0,0,0|0,0,1]=3 2810 B13R1.48 CC#CCSCC(=O)c1ccco1 62a_100000748600_100000211439 [0,2,0,0,0,0|0,0,1]=3 2811 B13R1.48 CC#CCSCC(=O)c1cccs1 62a_100000211436_100000748600 [0,2,0,0,0,0|0,1,1]=4 2812 B13R1.48 CC#CCSCC(=O)c1cccs1 62a_100000748600_100000211436 [0,2,0,0,0,0|0,1,1]=4 2813 B13R1.48 CC=CCSCC(=O)c1ccc[nH]1 62a_100000070051_200011262396 [0,2,0,0,0,0|1,0,1]=4 2814 B13R1.48 CC=CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000070051 [0,2,0,0,0,0|1,0,1]=4 2815 B13R1.48 CC=CCSCC(=O)c1ccco1 62a_100000070051_100000211439 [0,2,0,0,0,0|0,0,1]=3 2816 B13R1.48 CC=CCSCC(=O)c1ccco1 62a_100000211439_100000070051 [0,2,0,0,0,0|0,0,1]=3 2817 B13R1.48 CC=CCSCC(=O)c1cccs1 62a_100000070051_100000211436 [0,2,0,0,0,0|0,1,1]=4 2818 B13R1.48 CC=CCSCC(=O)c1cccs1 62a_100000211436_100000070051 [0,2,0,0,0,0|0,1,1]=4 2819 B13R1.48 CCCC=NNC(=O)c1ccc[nH]1 4a_100000018271_100000185831 [0,2,0,0,0,0|1,0,1]=4 2820 B13R1.48 CCCC=NNC(=O)c1ccco1 4a_100000185077_100000185831 [0,2,0,0,0,0|0,0,1]=3 2821 B13R1.48 CCCC=NNC(=O)c1cccs1 4a_100000184746_100000185831 [0,2,0,0,0,0|0,1,1]=4 2822 B13R1.48 CCCC=NNC(=O)c1cnco1 4a_100000081316_100000185831 [0,2,0,0,0,0|1,0,1]=4 2823 B13R1.48 CCCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210326 [0,2,0,0,0,0|1,0,1]=4 2824 B13R1.48 CCCCCO[C@@H](C)c1ccco1 34a_100000755270_100000718602 [0,2,0,0,0,0|1,0,1]=4 2825 B13R1.48 CCCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210326 [0,2,0,0,0,0|1,0,1]=4 2826 B13R1.48 CCCCNCC(=O)c1ccc[nH]1 7a_106832991798_200011262396 [0,2,0,0,0,0|1,0,0]=3 2827 B13R1.48 CCCCNCC(=O)c1ccco1 7a_106832991798_100000211439 [0,2,0,0,0,0|0,0,0]=2 2828 B13R1.48 CCCCNCC(=O)c1cccs1 2230a_100000102301_100000211436 [0,2,0,0,0,0|0,1,0]=3 2829 B13R1.48 CCCCNCC(=O)c1cccs1 7a_106832991798_100000211436 [0,2,0,0,0,0|0,1,0]=3 2830 B13R1.48 CCCCNCC(=O)c1ccsc1 2230a_100000102301_100011219462 [0,2,0,0,0,0|2,0,0]=4 2831 B13R1.48 CCCCNCC(=O)c1ccsc1 7a_106832991798_100011219462 [0,2,0,0,0,0|2,0,0]=4 2832 B13R1.48 CCCCNCC(=O)c1nccs1 7a_106832991798_100000718653 [0,2,0,0,0,0|1,1,0]=4 2833 B13R1.48 CCCCNCC(=O)n1cccn1 2230a_100000102301_100000077511 [0,2,0,0,0,0|2,0,0]=4 2834 B13R1.48 CCCCNCC(=O)n1cccn1 7a_106832991798_100000077511 [0,2,0,0,0,0|2,0,0]=4 2835 B13R1.48 CCCCNCC(O)c1ccco1 2230a_100000738650_100000210211 [0,2,0,0,0,0|0,0,2]=4 2836 B13R1.48 CCCCNN=C(C)c1ccc[nH]1 4a_100025702795_100000183661 [0,2,0,0,0,0|2,0,0]=4 2837 B13R1.48 CCCCNN=C(C)c1ccco1 4a_100025702795_100000210965 [0,2,0,0,0,0|1,0,0]=3 2838 B13R1.48 CCCCNN=C(C)c1cccs1 4a_100025702795_100000185736 [0,2,0,0,0,0|1,1,0]=4 2839 B13R1.48 CCCCNN=C(C)c1ccno1 4a_100025702795_100009863766 [0,2,0,0,0,0|2,0,0]=4 2840 B13R1.48 CCCCOCC(=O)c1ccc[nH]1 7a_100000210227_200011262396 [0,2,0,0,0,0|1,0,0]=3 2841 B13R1.48 CCCCOCC(=O)c1ccco1 7a_100000210227_100000211439 [0,2,0,0,0,0|0,0,0]=2 2842 B13R1.48 CCCCOCC(=O)c1cccs1 7a_100000210227_100000211436 [0,2,0,0,0,0|0,1,0]=3 2843 B13R1.48 CCCCOCC(=O)c1ccsc1 34a_100000210227_100011219462 [0,2,0,0,0,0|2,0,0]=4 2844 B13R1.48 CCCCOCC(=O)c1ccsc1 7a_100000210227_100011219462 [0,2,0,0,0,0|2,0,0]=4 2845 B13R1.48 CCCCOCC(=O)c1nccs1 7a_100000210227_100000718653 [0,2,0,0,0,0|1,1,0]=4 2846 B13R1.48 CCCCOCC(=O)n1cccn1 7a_100000210227_100000077511 [0,2,0,0,0,0|2,0,0]=4 2847 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_100000210211_200011262396 [0,2,0,0,0,0|1,0,0]=3 2848 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210210 [0,2,0,0,0,0|1,0,0]=3 2849 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000210211_100000211439 [0,2,0,0,0,0|0,0,0]=2 2850 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000211439_100000210210 [0,2,0,0,0,0|0,0,0]=2 2851 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000210211_100000211436 [0,2,0,0,0,0|0,1,0]=3 2852 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000211436_100000210210 [0,2,0,0,0,0|0,1,0]=3 2853 B13R1.48 CCCCSCC(=O)c1ccsc1 62a_100000210211_100011219462 [0,2,0,0,0,0|2,0,0]=4 2854 B13R1.48 CCCCSCC(=O)c1ccsc1 62a_100011219462_100000210210 [0,2,0,0,0,0|2,0,0]=4 2855 B13R1.48 CCCCSCC(=O)c1nccs1 62a_100000210211_100000718653 [0,2,0,0,0,0|1,1,0]=4 2856 B13R1.48 CCCCSCC(=O)c1nccs1 62a_100000718653_100000210210 [0,2,0,0,0,0|1,1,0]=4 2857 B13R1.48 CCCCSCC(=O)n1cccn1 62a_100000077511_100000210210 [0,2,0,0,0,0|2,0,0]=4 2858 B13R1.48 CCCCSCC(=O)n1cccn1 62a_100000210211_100000077511 [0,2,0,0,0,0|2,0,0]=4 2859 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100000210303_100011290775 [0,2,0,0,0,0|0,1,0]=3 2860 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100011290775_100000210303 [0,2,0,0,0,0|0,1,0]=3 2861 B13R1.48 CCNCCNC(=O)n1cccn1 2230a_100015525214_100000070358 [0,2,0,0,0,0|2,0,0]=4 2862 B13R1.48 CCOCCN[C@H](C)c1ccco1 2230a_100160469435_100011215890 [0,2,0,0,0,0|1,0,1]=4 2863 B13R1.48 CCOCCO[C@@H](C)c1ccco1 34a_100000755270_100000210147 [0,2,0,0,0,0|1,0,1]=4 2864 B13R1.48 CCOCCO[C@@H](C)c1ccco1 7a_100000755270_100011215890 [0,2,0,0,0,0|1,0,1]=4 2865 B13R1.48 CCOCSCC(=O)c1ccc[nH]1 62a_100000739092_200011262396 [0,2,0,0,0,0|1,0,0]=3 2866 B13R1.48 CCOCSCC(=O)c1ccc[nH]1 62a_200011262396_100000739092 [0,2,0,0,0,0|1,0,0]=3 2867 B13R1.48 CCOCSCC(=O)c1ccco1 62a_100000211439_100000739092 [0,2,0,0,0,0|0,0,0]=2 2868 B13R1.48 CCOCSCC(=O)c1ccco1 62a_100000739092_100000211439 [0,2,0,0,0,0|0,0,0]=2 2869 B13R1.48 CCOCSCC(=O)c1cccs1 62a_100000211436_100000739092 [0,2,0,0,0,0|0,1,0]=3 2870 B13R1.48 CCOCSCC(=O)c1cccs1 62a_100000739092_100000211436 [0,2,0,0,0,0|0,1,0]=3 2871 B13R1.48 CCOCSCC(=O)c1ccsc1 62a_100000739092_100011219462 [0,2,0,0,0,0|2,0,0]=4 2872 B13R1.48 CCOCSCC(=O)c1ccsc1 62a_100011219462_100000739092 [0,2,0,0,0,0|2,0,0]=4 2873 B13R1.48 CCOCSCC(=O)c1nccs1 62a_100000718653_100000739092 [0,2,0,0,0,0|1,1,0]=4 2874 B13R1.48 CCOCSCC(=O)c1nccs1 62a_100000739092_100000718653 [0,2,0,0,0,0|1,1,0]=4 2875 B13R1.48 CCOCSCC(=O)n1cccn1 62a_100000077511_100000739092 [0,2,0,0,0,0|2,0,0]=4 2876 B13R1.48 CCOCSCC(=O)n1cccn1 62a_100000739092_100000077511 [0,2,0,0,0,0|2,0,0]=4 2877 B13R1.48 CCSCCNC(=O)n1cccn1 62a_100000070358_100000210202 [0,2,0,0,0,0|2,0,0]=4 2878 B13R1.48 CCSCCNC(=O)n1cccn1 62a_100000210202_100000070358 [0,2,0,0,0,0|2,0,0]=4 2879 B13R1.48 CCSCCN[C@H](C)c1ccco1 2230a_100160469435_100000757381 [0,2,0,0,0,0|1,0,1]=4 2880 B13R1.48 CCSCCO[C@@H](C)c1ccco1 34a_100000755270_100000757381 [0,2,0,0,0,0|1,0,1]=4 2881 B13R1.48 CCSCCO[C@@H](C)c1ccco1 7a_100000755270_100000757381 [0,2,0,0,0,0|1,0,1]=4 2882 B13R1.48 CNCCCNC(=O)c1ccco1 34a_100025751042_200000210301 [0,2,0,0,0,0|0,0,0]=2 2883 B13R1.48 COCCCN[C@H](C)c1ccco1 2230a_100160469435_100000740836 [0,2,0,0,0,0|1,0,1]=4 2884 B13R1.48 COCCCO[C@@H](C)c1ccco1 34a_100000755270_100000740836 [0,2,0,0,0,0|1,0,1]=4 2885 B13R1.48 COCCCO[C@@H](C)c1ccco1 7a_100000755270_100000740836 [0,2,0,0,0,0|1,0,1]=4 2886 B13R1.48 COCCNCC(=O)c1cccs1 2230a_100000209980_100000211436 [0,2,0,0,0,0|0,1,0]=3 2887 B13R1.48 COCCNCC(=O)c1ccsc1 2230a_100000209980_100011219462 [0,2,0,0,0,0|2,0,0]=4 2888 B13R1.48 COCCNCC(=O)n1cccn1 2230a_100000209980_100000077511 [0,2,0,0,0,0|2,0,0]=4 2889 B13R1.48 COCCNCC(O)c1ccco1 2230a_100000738650_100011201679 [0,2,0,0,0,0|0,0,2]=4 2890 B13R1.48 COCCOCC(=O)c1ccsc1 34a_100000210237_100011219462 [0,2,0,0,0,0|2,0,0]=4 2891 B13R1.48 COCCSCC(=O)c1ccc[nH]1 62a_100000233755_200011262396 [0,2,0,0,0,0|1,0,0]=3 2892 B13R1.48 COCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000233755 [0,2,0,0,0,0|1,0,0]=3 2893 B13R1.48 COCCSCC(=O)c1ccco1 62a_100000211439_100000233755 [0,2,0,0,0,0|0,0,0]=2 2894 B13R1.48 COCCSCC(=O)c1ccco1 62a_100000233755_100000211439 [0,2,0,0,0,0|0,0,0]=2 2895 B13R1.48 COCCSCC(=O)c1cccs1 62a_100000211436_100000233755 [0,2,0,0,0,0|0,1,0]=3 2896 B13R1.48 COCCSCC(=O)c1cccs1 62a_100000233755_100000211436 [0,2,0,0,0,0|0,1,0]=3 2897 B13R1.48 COCCSCC(=O)c1ccsc1 62a_100000233755_100011219462 [0,2,0,0,0,0|2,0,0]=4 2898 B13R1.48 COCCSCC(=O)c1ccsc1 62a_100011219462_100000233755 [0,2,0,0,0,0|2,0,0]=4 2899 B13R1.48 COCCSCC(=O)c1nccs1 62a_100000233755_100000718653 [0,2,0,0,0,0|1,1,0]=4 2900 B13R1.48 COCCSCC(=O)c1nccs1 62a_100000718653_100000233755 [0,2,0,0,0,0|1,1,0]=4 2901 B13R1.48 COCCSCC(=O)n1cccn1 62a_100000077511_100000233755 [0,2,0,0,0,0|2,0,0]=4 2902 B13R1.48 COCCSCC(=O)n1cccn1 62a_100000233755_100000077511 [0,2,0,0,0,0|2,0,0]=4 2903 B13R1.48 COCSCCC(=O)c1cccs1 62a_100000766300_100011290775 [0,2,0,0,0,0|0,1,0]=3 2904 B13R1.48 COCSCCC(=O)c1cccs1 62a_100011290775_100000766300 [0,2,0,0,0,0|0,1,0]=3 2905 B13R1.48 CSCCNCC(=O)c1cccs1 2230a_100020590264_100000211436 [0,2,0,0,0,0|0,1,0]=3 2906 B13R1.48 CSCCNCC(=O)c1ccsc1 2230a_100020590264_100011219462 [0,2,0,0,0,0|2,0,0]=4 2907 B13R1.48 CSCCNCC(=O)n1cccn1 2230a_100020590264_100000077511 [0,2,0,0,0,0|2,0,0]=4 2908 B13R1.48 CSCCNCC(O)c1ccco1 2230a_100000738650_100000751147 [0,2,0,0,0,0|0,0,2]=4 2909 B13R1.48 CSCCOCC(=O)c1ccc[nH]1 7a_100000230434_200011262396 [0,2,0,0,0,0|1,0,0]=3 2910 B13R1.48 CSCCOCC(=O)c1ccco1 7a_100000230434_100000211439 [0,2,0,0,0,0|0,0,0]=2 2911 B13R1.48 CSCCOCC(=O)c1cccs1 7a_100000230434_100000211436 [0,2,0,0,0,0|0,1,0]=3 2912 B13R1.48 CSCCOCC(=O)c1ccsc1 34a_100000230434_100011219462 [0,2,0,0,0,0|2,0,0]=4 2913 B13R1.48 CSCCOCC(=O)c1ccsc1 7a_100000230434_100011219462 [0,2,0,0,0,0|2,0,0]=4 2914 B13R1.48 CSCCOCC(=O)c1nccs1 7a_100000230434_100000718653 [0,2,0,0,0,0|1,1,0]=4 2915 B13R1.48 CSCCOCC(=O)n1cccn1 7a_100000230434_100000077511 [0,2,0,0,0,0|2,0,0]=4 2916 B13R1.48 CSCCSCC(=O)c1ccc[nH]1 62a_100000212216_200011262396 [0,2,0,0,0,0|1,0,0]=3 2917 B13R1.48 CSCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000751147 [0,2,0,0,0,0|1,0,0]=3 2918 B13R1.48 CSCCSCC(=O)c1ccco1 62a_100000211439_100000751147 [0,2,0,0,0,0|0,0,0]=2 2919 B13R1.48 CSCCSCC(=O)c1ccco1 62a_100000212216_100000211439 [0,2,0,0,0,0|0,0,0]=2 2920 B13R1.48 CSCCSCC(=O)c1cccs1 62a_100000211436_100000751147 [0,2,0,0,0,0|0,1,0]=3 2921 B13R1.48 CSCCSCC(=O)c1cccs1 62a_100000212216_100000211436 [0,2,0,0,0,0|0,1,0]=3 2922 B13R1.48 CSCCSCC(=O)c1ccsc1 62a_100000212216_100011219462 [0,2,0,0,0,0|2,0,0]=4 2923 B13R1.48 CSCCSCC(=O)c1ccsc1 62a_100011219462_100000751147 [0,2,0,0,0,0|2,0,0]=4 2924 B13R1.48 CSCCSCC(=O)c1nccs1 62a_100000212216_100000718653 [0,2,0,0,0,0|1,1,0]=4 2925 B13R1.48 CSCCSCC(=O)c1nccs1 62a_100000718653_100000751147 [0,2,0,0,0,0|1,1,0]=4 2926 B13R1.48 CSCCSCC(=O)n1cccn1 62a_100000077511_100000751147 [0,2,0,0,0,0|2,0,0]=4 2927 B13R1.48 CSCCSCC(=O)n1cccn1 62a_100000212216_100000077511 [0,2,0,0,0,0|2,0,0]=4 2928 B13R1.48 CSCSCCC(=O)c1cccs1 62a_100011218213_100011290775 [0,2,0,0,0,0|0,1,0]=3 2929 B13R1.48 CSCSCCC(=O)c1cccs1 62a_100011290775_100011218213 [0,2,0,0,0,0|0,1,0]=3 2930 B13R1.48 C[C@@H](NCCCCF)c1ccco1 2230a_100160469435_100000729493 [0,2,0,0,0,0|1,0,1]=4 2931 B13R1.48 C[C@@H](NCCCCO)c1ccco1 2230a_100160469435_100000210776 [0,2,0,0,0,0|1,0,1]=4 2932 B13R1.48 C[C@H](OCCCCF)c1ccco1 34a_100000755270_100000729493 [0,2,0,0,0,0|1,0,1]=4 2933 B13R1.48 C[C@H](OCCCCF)c1ccco1 7a_100000755270_100000729493 [0,2,0,0,0,0|1,0,1]=4 2934 B13R1.48 C[C@H](OCCCCO)c1ccco1 34a_100000755270_100011216708 [0,2,0,0,0,0|1,0,1]=4 2935 B13R1.48 C[C@H](OCCCCO)c1ccco1 7a_100000755270_100000210776 [0,2,0,0,0,0|1,0,1]=4 2936 B13R1.48 N#CCCSCC(=O)c1ccc[nH]1 62a_100011215226_200011262396 [0,2,0,0,0,0|1,0,1]=4 2937 B13R1.48 N#CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100011215226 [0,2,0,0,0,0|1,0,1]=4 2938 B13R1.48 N#CCCSCC(=O)c1ccco1 62a_100000211439_100011215226 [0,2,0,0,0,0|0,0,1]=3 2939 B13R1.48 N#CCCSCC(=O)c1ccco1 62a_100011215226_100000211439 [0,2,0,0,0,0|0,0,1]=3 2940 B13R1.48 N#CCCSCC(=O)c1cccs1 62a_100000211436_100011215226 [0,2,0,0,0,0|0,1,1]=4 2941 B13R1.48 N#CCCSCC(=O)c1cccs1 62a_100011215226_100000211436 [0,2,0,0,0,0|0,1,1]=4 2942 B13R1.48 N#CCSCCC(=O)c1cccs1 62a_100011215382_100011290775 [0,2,0,0,0,0|0,1,1]=4 2943 B13R1.48 N#CCSCCC(=O)c1cccs1 62a_100011290775_100011215382 [0,2,0,0,0,0|0,1,1]=4 2944 B13R1.48 N#CSCSCC(=O)c1ccco1 62a_100000211439_100000211825 [0,2,0,0,0,0|1,0,1]=4 2945 B13R1.48 N#CSCSCC(=O)c1ccco1 62a_100000211825_100000211439 [0,2,0,0,0,0|1,0,1]=4 2946 B13R1.48 NCCCOCC(=O)c1ccsc1 34a_100000182051_100011219462 [0,2,0,0,0,0|2,0,0]=4 2947 B13R1.48 O=C(CCNCCO)c1cccs1 2230a_100016997473_100011290775 [0,2,0,0,0,0|0,1,0]=3 2948 B13R1.48 O=C(CCSCCF)c1cccs1 62a_100011217306_100011290775 [0,2,0,0,0,0|0,1,0]=3 2949 B13R1.48 O=C(CCSCCF)c1cccs1 62a_100011290775_100011217306 [0,2,0,0,0,0|0,1,0]=3 2950 B13R1.48 O=C(CCSCCO)c1cccs1 62a_100000211926_100011290775 [0,2,0,0,0,0|0,1,0]=3 2951 B13R1.48 O=C(CCSCCO)c1cccs1 62a_100011290775_100000211926 [0,2,0,0,0,0|0,1,0]=3 2952 B13R1.48 O=C(CNCCCF)c1cccs1 2230a_100015189416_100000211436 [0,2,0,0,0,0|0,1,0]=3 2953 B13R1.48 O=C(CNCCCF)c1ccsc1 2230a_100015189416_100011219462 [0,2,0,0,0,0|2,0,0]=4 2954 B13R1.48 O=C(CNCCCF)c1ccsc1 34a_100015189416_100011219462 [0,2,0,0,0,0|2,0,0]=4 2955 B13R1.48 O=C(CNCCCF)n1cccn1 2230a_100015189416_100000077511 [0,2,0,0,0,0|2,0,0]=4 2956 B13R1.48 O=C(COCCCBr)c1ccsc1 34a_100011217188_100011219462 [0,2,0,0,0,0|2,0,0]=4 2957 B13R1.48 O=C(COCCCCl)c1ccsc1 34a_100000230001_100011219462 [0,2,0,0,0,0|2,0,0]=4 2958 B13R1.48 O=C(COCCCF)c1ccsc1 34a_100000759539_100011219462 [0,2,0,0,0,0|2,0,0]=4 2959 B13R1.48 O=C(CSCCCF)c1ccc[nH]1 62a_100011934791_200011262396 [0,2,0,0,0,0|1,0,0]=3 2960 B13R1.48 O=C(CSCCCF)c1ccc[nH]1 62a_200011262396_100011934791 [0,2,0,0,0,0|1,0,0]=3 2961 B13R1.48 O=C(CSCCCF)c1ccco1 62a_100000211439_100011934791 [0,2,0,0,0,0|0,0,0]=2 2962 B13R1.48 O=C(CSCCCF)c1ccco1 62a_100011934791_100000211439 [0,2,0,0,0,0|0,0,0]=2 2963 B13R1.48 O=C(CSCCCF)c1cccs1 62a_100000211436_100011934791 [0,2,0,0,0,0|0,1,0]=3 2964 B13R1.48 O=C(CSCCCF)c1cccs1 62a_100011934791_100000211436 [0,2,0,0,0,0|0,1,0]=3 2965 B13R1.48 O=C(CSCCCF)c1ccsc1 62a_100011219462_100011934791 [0,2,0,0,0,0|2,0,0]=4 2966 B13R1.48 O=C(CSCCCF)c1ccsc1 62a_100011934791_100011219462 [0,2,0,0,0,0|2,0,0]=4 2967 B13R1.48 O=C(CSCCCF)c1nccs1 62a_100000718653_100011934791 [0,2,0,0,0,0|1,1,0]=4 2968 B13R1.48 O=C(CSCCCF)c1nccs1 62a_100011934791_100000718653 [0,2,0,0,0,0|1,1,0]=4 2969 B13R1.48 O=C(CSCCCF)n1cccn1 62a_100000077511_100011934791 [0,2,0,0,0,0|2,0,0]=4 2970 B13R1.48 O=C(CSCCCF)n1cccn1 62a_100011934791_100000077511 [0,2,0,0,0,0|2,0,0]=4 2971 B13R1.48 O=C(CSCCCO)c1ccc[nH]1 62a_100011215043_200011262396 [0,2,0,0,0,0|1,0,0]=3 2972 B13R1.48 O=C(CSCCCO)c1ccc[nH]1 62a_200011262396_100011215043 [0,2,0,0,0,0|1,0,0]=3 2973 B13R1.48 O=C(CSCCCO)c1ccco1 62a_100000211439_100011215043 [0,2,0,0,0,0|0,0,0]=2 2974 B13R1.48 O=C(CSCCCO)c1ccco1 62a_100011215043_100000211439 [0,2,0,0,0,0|0,0,0]=2 2975 B13R1.48 O=C(CSCCCO)c1cccs1 62a_100000211436_100011215043 [0,2,0,0,0,0|0,1,0]=3 2976 B13R1.48 O=C(CSCCCO)c1cccs1 62a_100011215043_100000211436 [0,2,0,0,0,0|0,1,0]=3 2977 B13R1.48 O=C(CSCCCO)c1ccsc1 62a_100011215043_100011219462 [0,2,0,0,0,0|2,0,0]=4 2978 B13R1.48 O=C(CSCCCO)c1ccsc1 62a_100011219462_100011215043 [0,2,0,0,0,0|2,0,0]=4 2979 B13R1.48 O=C(CSCCCO)c1nccs1 62a_100000718653_100011215043 [0,2,0,0,0,0|1,1,0]=4 2980 B13R1.48 O=C(CSCCCO)c1nccs1 62a_100011215043_100000718653 [0,2,0,0,0,0|1,1,0]=4 2981 B13R1.48 O=C(CSCCCO)n1cccn1 62a_100000077511_100011215043 [0,2,0,0,0,0|2,0,0]=4 2982 B13R1.48 O=C(CSCCCO)n1cccn1 62a_100011215043_100000077511 [0,2,0,0,0,0|2,0,0]=4 2983 B13R1.48 O=CCSCCC(=O)c1cccs1 62a_100011290775_200015260668 [0,2,0,0,0,0|0,1,1]=4 2984 B13R1.48 O=CCSCCC(=O)c1cccs1 62a_200015260668_100011290775 [0,2,0,0,0,0|0,1,1]=4 2985 B13R1.48 OC(CNCCCF)c1ccco1 2230a_100000738650_100011934791 [0,2,0,0,0,0|0,0,2]=4 2986 B13R1.48 OCCCNCC(O)c1ccco1 2230a_100000738650_100000230001 [0,2,0,0,0,0|0,0,2]=4 2987 B13R1.48 [13CH3]NCCCNC(=O)c1ccco1 34a_100025751042_200025704644 [0,2,0,0,0,0|0,0,0]=2 2988 B13R1.54 CCCCNS(=O)(=O)c1ccco1 270084a_100000102301_200000702926 [0,2,0,0,0,0|1,0,0]=3 2989 B13R1.54 CCCCNS(=O)(=O)c1ccco1 274078a_100000102301_200000702926 [0,2,0,0,0,0|1,0,0]=3 2990 B13R1.54 CCCCNS(=O)(=O)c1cccs1 270084a_100000102301_100000205146 [0,2,0,0,0,0|1,1,0]=4 2991 B13R1.54 CCCCNS(=O)(=O)c1cccs1 274078a_100000102301_100000205146 [0,2,0,0,0,0|1,1,0]=4 2992 B13R1.54 CCCCNS(=O)(=O)c1cccs1 40a_100000102301_200000102146 [0,2,0,0,0,0|1,1,0]=4 2993 B13R1.54 COCCNS(=O)(=O)c1ccco1 270084a_100000209980_200000702926 [0,2,0,0,0,0|2,0,0]=4 2994 B13R1.54 COCCNS(=O)(=O)c1ccco1 274078a_100000209980_200000702926 [0,2,0,0,0,0|2,0,0]=4 2995 B13R1.54 CSCCNS(=O)(=O)c1ccco1 270084a_100020590264_200000702926 [0,2,0,0,0,0|2,0,0]=4 2996 B13R1.54 CSCCNS(=O)(=O)c1ccco1 274078a_100020590264_200000702926 [0,2,0,0,0,0|2,0,0]=4 2997 B13R1.54 O=S(=O)(NCCCF)c1ccco1 270084a_100015189416_200000702926 [0,2,0,0,0,0|2,0,0]=4 2998 B13R1.54 O=S(=O)(NCCCF)c1ccco1 274078a_100015189416_200000702926 [0,2,0,0,0,0|2,0,0]=4 2999 B13R1.54 O=S(=O)(NCCCO)c1ccco1 270084a_100000182051_200000702926 [0,2,0,0,0,0|2,0,0]=4 3000 B13R1.54 O=S(=O)(NCCCO)c1ccco1 274078a_100000182051_200000702926 [0,2,0,0,0,0|2,0,0]=4 3001 B13R1.118 CCCCCC(NC)c1ccco1 269862a_106832991636_200011215134 [0,2,0,0,0,0|1,0,1]=4 3002 B13R1.118 CCCCCC(NC)c1ccco1 270004a_106832991635_200011215134 [0,2,0,0,0,0|1,0,1]=4 3003 B13R1.118 CCCCNC(CC)c1ccco1 2230a_100015202707_100000210211 [0,2,0,0,0,0|1,0,1]=4 3004 B13R1.118 CCCCNC(CC)c1ccco1 269862a_100000102301_100000749595 [0,2,0,0,0,0|1,0,1]=4 3005 B13R1.118 CCCCOC(CN)c1ccco1 34a_100000738650_100000210210 [0,2,0,0,0,0|1,0,1]=4 3006 B13R1.118 CCCNN=C(CC)c1ccco1 4a_100000740057_100000749595 [0,2,0,0,0,0|2,0,0]=4 3007 B13R1.162 C#CC(C)NCC(=O)c1cccs1 2230a_100000707721_100000211436 [0,2,0,0,0,0|1,1,0]=4 3008 B13R1.162 C#CC(C)SCC(=O)c1ccc[nH]1 62a_200000035995_200011262396 [0,2,0,0,0,0|2,0,0]=4 3009 B13R1.162 C#CC(C)SCC(=O)c1ccco1 62a_200000035995_100000211439 [0,2,0,0,0,0|1,0,0]=3 3010 B13R1.162 C#CC(C)SCC(=O)c1cccs1 62a_200000035995_100000211436 [0,2,0,0,0,0|1,1,0]=4 3011 B13R1.162 C#C[C@@H](C)OCC(=O)c1ccc[nH]1 7a_100009815206_200011262396 [0,2,0,0,0,0|2,0,0]=4 3012 B13R1.162 C#C[C@@H](C)OCC(=O)c1ccco1 7a_100009815206_100000211439 [0,2,0,0,0,0|1,0,0]=3 3013 B13R1.162 C#C[C@@H](C)OCC(=O)c1cccs1 7a_100009815206_100000211436 [0,2,0,0,0,0|1,1,0]=4 3014 B13R1.162 C=CC(C)SCC(=O)c1ccc[nH]1 62a_100011215867_200011262396 [0,2,0,0,0,0|2,0,0]=4 3015 B13R1.162 C=CC(C)SCC(=O)c1ccco1 62a_100011215867_100000211439 [0,2,0,0,0,0|1,0,0]=3 3016 B13R1.162 C=CC(C)SCC(=O)c1cccs1 62a_100011215867_100000211436 [0,2,0,0,0,0|1,1,0]=4 3017 B13R1.162 CC(C#N)NCC(=O)c1cccs1 2230a_100000737613_100000211436 [0,2,0,0,0,0|1,1,0]=4 3018 B13R1.162 CC(C#N)SCC(=O)c1ccc[nH]1 62a_100000703298_200011262396 [0,2,0,0,0,0|2,0,0]=4 3019 B13R1.162 CC(C#N)SCC(=O)c1ccc[nH]1 62a_200011262396_100000703298 [0,2,0,0,0,0|2,0,0]=4 3020 B13R1.162 CC(C#N)SCC(=O)c1ccco1 62a_100000211439_100000703298 [0,2,0,0,0,0|1,0,0]=3 3021 B13R1.162 CC(C#N)SCC(=O)c1ccco1 62a_100000703298_100000211439 [0,2,0,0,0,0|1,0,0]=3 3022 B13R1.162 CC(C#N)SCC(=O)c1cccs1 62a_100000211436_100000703298 [0,2,0,0,0,0|1,1,0]=4 3023 B13R1.162 CC(C#N)SCC(=O)c1cccs1 62a_100000703298_100000211436 [0,2,0,0,0,0|1,1,0]=4 3024 B13R1.162 CC(CF)OCC(=O)c1ccc[nH]1 7a_100016041109_200011262396 [0,2,0,0,0,0|2,0,0]=4 3025 B13R1.162 CC(CF)OCC(=O)c1ccco1 7a_100016041109_100000211439 [0,2,0,0,0,0|1,0,0]=3 3026 B13R1.162 CC(CF)OCC(=O)c1cccs1 7a_100016041109_100000211436 [0,2,0,0,0,0|1,1,0]=4 3027 B13R1.162 CC(CO)SCC(=O)c1ccc[nH]1 62a_100012180447_200011262396 [0,2,0,0,0,0|2,0,0]=4 3028 B13R1.162 CC(CO)SCC(=O)c1ccco1 62a_100012180447_100000211439 [0,2,0,0,0,0|1,0,0]=3 3029 B13R1.162 CC(CO)SCC(=O)c1cccs1 62a_100012180447_100000211436 [0,2,0,0,0,0|1,1,0]=4 3030 B13R1.162 CCC(=O)CCC(=O)c1cccs1 1458a_100000210414_100011290775 [0,2,0,0,0,0|0,1,0]=3 3031 B13R1.162 CCC(=O)CNC(=O)c1ccco1 1458a_200000183647_100000210202 [0,2,0,0,0,0|0,0,1]=3 3032 B13R1.162 CCC(=O)CNC(=O)c1cccs1 1458a_100000183069_100000210202 [0,2,0,0,0,0|0,1,1]=4 3033 B13R1.162 CCC(=O)NNC(=O)c1ccco1 22a_100000185077_100000210414 [0,2,0,0,0,0|1,0,1]=4 3034 B13R1.162 CCC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000748023 [0,2,0,0,0,0|1,0,1]=4 3035 B13R1.162 CCC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000243153 [0,2,0,0,0,0|1,0,1]=4 3036 B13R1.162 CCC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000748023 [0,2,0,0,0,0|1,0,1]=4 3037 B13R1.162 CCC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000748023 [0,2,0,0,0,0|1,0,1]=4 3038 B13R1.162 CCC(C)NCC(=O)c1cccs1 2230a_100000209981_100000211436 [0,2,0,0,0,0|0,1,0]=3 3039 B13R1.162 CCC(C)NCC(=O)c1ccsc1 2230a_100000209981_100011219462 [0,2,0,0,0,0|2,0,0]=4 3040 B13R1.162 CCC(C)NCC(=O)n1cccn1 2230a_100000209981_100000077511 [0,2,0,0,0,0|2,0,0]=4 3041 B13R1.162 CCC(C)NCC(O)c1ccco1 2230a_100000738650_100000758301 [0,2,0,0,0,0|0,0,2]=4 3042 B13R1.162 CCC(C)NN=C(C)c1ccco1 4a_100000718999_100000210965 [0,2,0,0,0,0|2,0,0]=4 3043 B13R1.162 CCC(C)OCC(=O)c1ccc[nH]1 7a_100000210228_200011262396 [0,2,0,0,0,0|1,0,0]=3 3044 B13R1.162 CCC(C)OCC(=O)c1ccco1 7a_100000210228_100000211439 [0,2,0,0,0,0|0,0,0]=2 3045 B13R1.162 CCC(C)OCC(=O)c1cccs1 7a_100000210228_100000211436 [0,2,0,0,0,0|0,1,0]=3 3046 B13R1.162 CCC(C)OCC(=O)c1ccsc1 7a_100000210228_100011219462 [0,2,0,0,0,0|2,0,0]=4 3047 B13R1.162 CCC(C)OCC(=O)c1nccs1 7a_100000210228_100000718653 [0,2,0,0,0,0|1,1,0]=4 3048 B13R1.162 CCC(C)OCC(=O)n1cccn1 7a_100000210228_100000077511 [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.162 CCC(C)SCC(=O)c1ccc[nH]1 62a_100000758301_200011262396 [0,2,0,0,0,0|1,0,0]=3 3050 B13R1.162 CCC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000758301 [0,2,0,0,0,0|1,0,0]=3 3051 B13R1.162 CCC(C)SCC(=O)c1ccco1 62a_100000211439_100000758301 [0,2,0,0,0,0|0,0,0]=2 3052 B13R1.162 CCC(C)SCC(=O)c1ccco1 62a_100000758301_100000211439 [0,2,0,0,0,0|0,0,0]=2 3053 B13R1.162 CCC(C)SCC(=O)c1cccs1 62a_100000211436_100000758301 [0,2,0,0,0,0|0,1,0]=3 3054 B13R1.162 CCC(C)SCC(=O)c1cccs1 62a_100000758301_100000211436 [0,2,0,0,0,0|0,1,0]=3 3055 B13R1.162 CCC(C)SCC(=O)c1ccsc1 62a_100000758301_100011219462 [0,2,0,0,0,0|2,0,0]=4 3056 B13R1.162 CCC(C)SCC(=O)c1ccsc1 62a_100011219462_100000758301 [0,2,0,0,0,0|2,0,0]=4 3057 B13R1.162 CCC(C)SCC(=O)c1nccs1 62a_100000718653_100000758301 [0,2,0,0,0,0|1,1,0]=4 3058 B13R1.162 CCC(C)SCC(=O)c1nccs1 62a_100000758301_100000718653 [0,2,0,0,0,0|1,1,0]=4 3059 B13R1.162 CCC(C)SCC(=O)n1cccn1 62a_100000077511_100000758301 [0,2,0,0,0,0|2,0,0]=4 3060 B13R1.162 CCC(C)SCC(=O)n1cccn1 62a_100000758301_100000077511 [0,2,0,0,0,0|2,0,0]=4 3061 B13R1.162 CCC(O)CN[C@H](C)c1ccco1 2230a_100160469435_100011218378 [0,2,0,0,0,0|1,0,1]=4 3062 B13R1.162 CCC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011218378 [0,2,0,0,0,0|1,0,1]=4 3063 B13R1.162 CCC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011218378 [0,2,0,0,0,0|1,0,1]=4 3064 B13R1.162 CCN(C)CCC(=O)c1cccs1 2230a_100000225621_100011290775 [0,2,0,0,0,0|0,1,0]=3 3065 B13R1.162 CCN(C)CCC(=O)c1cccs1 269982a_100000225621_100011290775 [0,2,0,0,0,0|0,1,0]=3 3066 B13R1.162 CC[C@H](C)CN[C@H](C)c1ccco1 2230a_100160469435_100009816398 [0,2,0,0,0,0|1,0,1]=4 3067 B13R1.162 CC[C@H](C)CO[C@@H](C)c1ccco1 34a_100000755270_100009816398 [0,2,0,0,0,0|1,0,1]=4 3068 B13R1.162 CC[C@H](C)CO[C@@H](C)c1ccco1 7a_100000755270_100009816398 [0,2,0,0,0,0|1,0,1]=4 3069 B13R1.162 CNC(=O)CNC(=O)c1ccco1 11a_106832991635_200000183647 [0,2,0,0,0,0|1,0,1]=4 3070 B13R1.162 CNC(=O)CNC(=O)c1ccco1 240690a_100102657272_200000183647 [0,2,0,0,0,0|1,0,1]=4 3071 B13R1.162 CNC(=O)CNC(=O)c1ccco1 527a_100102657272_200000183647 [0,2,0,0,0,0|1,0,1]=4 3072 B13R1.162 COC(C)SCC(=O)c1ccc[nH]1 62a_100009879195_200011262396 [0,2,0,0,0,0|2,0,0]=4 3073 B13R1.162 COC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100009879195 [0,2,0,0,0,0|2,0,0]=4 3074 B13R1.162 COC(C)SCC(=O)c1ccco1 62a_100000211439_100009879195 [0,2,0,0,0,0|1,0,0]=3 3075 B13R1.162 COC(C)SCC(=O)c1ccco1 62a_100009879195_100000211439 [0,2,0,0,0,0|1,0,0]=3 3076 B13R1.162 COC(C)SCC(=O)c1cccs1 62a_100000211436_100009879195 [0,2,0,0,0,0|1,1,0]=4 3077 B13R1.162 COC(C)SCC(=O)c1cccs1 62a_100009879195_100000211436 [0,2,0,0,0,0|1,1,0]=4 3078 B13R1.162 C[C@H](CO)NCC(=O)c1cccs1 2230a_100000737577_100000211436 [0,2,0,0,0,0|1,1,0]=4 3079 B13R1.162 C[C@H](CO)SCC(=O)c1ccc[nH]1 62a_100016084084_200011262396 [0,2,0,0,0,0|2,0,0]=4 3080 B13R1.162 C[C@H](CO)SCC(=O)c1ccc[nH]1 62a_200011262396_100016084084 [0,2,0,0,0,0|2,0,0]=4 3081 B13R1.162 C[C@H](CO)SCC(=O)c1ccco1 62a_100000211439_100016084084 [0,2,0,0,0,0|1,0,0]=3 3082 B13R1.162 C[C@H](CO)SCC(=O)c1ccco1 62a_100016084084_100000211439 [0,2,0,0,0,0|1,0,0]=3 3083 B13R1.162 C[C@H](CO)SCC(=O)c1cccs1 62a_100000211436_100016084084 [0,2,0,0,0,0|1,1,0]=4 3084 B13R1.162 C[C@H](CO)SCC(=O)c1cccs1 62a_100016084084_100000211436 [0,2,0,0,0,0|1,1,0]=4 3085 B13R1.162 N#CC(F)SCC(=O)c1ccco1 62a_100000211439_200000117898 [0,2,0,0,0,0|1,0,1]=4 3086 B13R1.162 N#CC(F)SCC(=O)c1ccco1 62a_200000117898_100000211439 [0,2,0,0,0,0|1,0,1]=4 3087 B13R1.162 O=C(CF)CNC(=O)c1ccco1 1458a_200000183647_100015361967 [0,2,0,0,0,0|1,0,1]=4 3088 B13R1.162 O=C(CO)CCC(=O)c1cccs1 1458a_100000210174_100011290775 [0,2,0,0,0,0|0,1,1]=4 3089 B13R1.342 C=C(C)CSCC(=O)c1ccc[nH]1 62a_100000748629_200011262396 [0,2,0,0,0,0|1,0,1]=4 3090 B13R1.342 C=C(C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000211660 [0,2,0,0,0,0|1,0,1]=4 3091 B13R1.342 C=C(C)CSCC(=O)c1ccco1 62a_100000211439_100000211660 [0,2,0,0,0,0|0,0,1]=3 3092 B13R1.342 C=C(C)CSCC(=O)c1ccco1 62a_100000748629_100000211439 [0,2,0,0,0,0|0,0,1]=3 3093 B13R1.342 C=C(C)CSCC(=O)c1cccs1 62a_100000211436_100000211660 [0,2,0,0,0,0|0,1,1]=4 3094 B13R1.342 C=C(C)CSCC(=O)c1cccs1 62a_100000748629_100000211436 [0,2,0,0,0,0|0,1,1]=4 3095 B13R1.342 C=C(F)CSCC(=O)c1ccco1 62a_100000042424_100000211439 [0,2,0,0,0,0|0,0,2]=4 3096 B13R1.342 C=C(F)CSCC(=O)c1ccco1 62a_100000211439_100000042424 [0,2,0,0,0,0|0,0,2]=4 3097 B13R1.342 CC(=C1C=CC=C1)CCCC(=O)[13CH3] 1458a_100009924236_200025704644 [0,2,0,0,0,0|2,0,0]=4 3098 B13R1.342 CC(=NNCC(C)O)c1ccco1 4a_200000730056_100000210965 [0,2,0,0,0,0|2,0,0]=4 3099 B13R1.342 CC(=O)CCCC(=C1C=CC=C1)C 1458a_100009924236_200000210301 [0,2,0,0,0,0|2,0,0]=4 3100 B13R1.342 CC(=O)CCNC(=O)c1ccco1 1458a_100000184273_200000210301 [0,2,0,0,0,0|0,0,1]=3 3101 B13R1.342 CC(=O)CCNC(=O)c1cccs1 1458a_100000195306_200000210301 [0,2,0,0,0,0|0,1,1]=4 3102 B13R1.342 CC(Br)COCC(=O)c1ccsc1 34a_100012180447_100011219462 [0,2,0,0,0,0|2,0,0]=4 3103 B13R1.342 CC(C)C=NNC(=O)c1ccco1 4a_100000185077_100000210432 [0,2,0,0,0,0|1,0,1]=4 3104 B13R1.342 CC(C)CCN[C@H](C)c1ccco1 2230a_100160469435_100000210312 [0,2,0,0,0,0|1,0,1]=4 3105 B13R1.342 CC(C)CCN[C@H](C)c1ccco1 269862a_100160469435_100000185833 [0,2,0,0,0,0|1,0,1]=4 3106 B13R1.342 CC(C)CCO[C@@H](C)c1ccco1 34a_100000755270_100000210312 [0,2,0,0,0,0|1,0,1]=4 3107 B13R1.342 CC(C)CCO[C@@H](C)c1ccco1 7a_100000755270_100000210626 [0,2,0,0,0,0|1,0,1]=4 3108 B13R1.342 CC(C)CNCC(=O)c1cccs1 2230a_100000210953_100000211436 [0,2,0,0,0,0|0,1,0]=3 3109 B13R1.342 CC(C)CNCC(=O)c1ccsc1 2230a_100000210953_100011219462 [0,2,0,0,0,0|2,0,0]=4 3110 B13R1.342 CC(C)CNCC(=O)c1ccsc1 34a_100000210953_100011219462 [0,2,0,0,0,0|2,0,0]=4 3111 B13R1.342 CC(C)CNCC(=O)n1cccn1 2230a_100000210953_100000077511 [0,2,0,0,0,0|2,0,0]=4 3112 B13R1.342 CC(C)CNCC(O)c1ccco1 2230a_100000738650_100000210760 [0,2,0,0,0,0|0,0,2]=4 3113 B13R1.342 CC(C)CNCC(O)c1ccco1 270004a_100000738650_100000210432 [0,2,0,0,0,0|0,0,2]=4 3114 B13R1.342 CC(C)COCC(=O)c1ccsc1 34a_100000210257_100011219462 [0,2,0,0,0,0|2,0,0]=4 3115 B13R1.342 CC(C)CSCC(=O)c1ccc[nH]1 62a_100000210624_200011262396 [0,2,0,0,0,0|1,0,0]=3 3116 B13R1.342 CC(C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000210760 [0,2,0,0,0,0|1,0,0]=3 3117 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000210624_100000211439 [0,2,0,0,0,0|0,0,0]=2 3118 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000211439_100000210760 [0,2,0,0,0,0|0,0,0]=2 3119 B13R1.342 CC(C)CSCC(=O)c1cccs1 62a_100000210624_100000211436 [0,2,0,0,0,0|0,1,0]=3 3120 B13R1.342 CC(C)CSCC(=O)c1cccs1 62a_100000211436_100000210760 [0,2,0,0,0,0|0,1,0]=3 3121 B13R1.342 CC(C)CSCC(=O)c1ccsc1 62a_100000210624_100011219462 [0,2,0,0,0,0|2,0,0]=4 3122 B13R1.342 CC(C)CSCC(=O)c1ccsc1 62a_100011219462_100000210760 [0,2,0,0,0,0|2,0,0]=4 3123 B13R1.342 CC(C)CSCC(=O)c1nccs1 62a_100000210624_100000718653 [0,2,0,0,0,0|1,1,0]=4 3124 B13R1.342 CC(C)CSCC(=O)c1nccs1 62a_100000718653_100000210760 [0,2,0,0,0,0|1,1,0]=4 3125 B13R1.342 CC(C)CSCC(=O)n1cccn1 62a_100000077511_100000210760 [0,2,0,0,0,0|2,0,0]=4 3126 B13R1.342 CC(C)CSCC(=O)n1cccn1 62a_100000210624_100000077511 [0,2,0,0,0,0|2,0,0]=4 3127 B13R1.342 CC(C)NCCC(=O)c1cccs1 2230a_100138425928_100011290775 [0,2,0,0,0,0|0,1,0]=3 3128 B13R1.342 CC(C)SCCC(=O)c1cccs1 62a_100000210206_100011290775 [0,2,0,0,0,0|0,1,0]=3 3129 B13R1.342 CC(C)SCCC(=O)c1cccs1 62a_100011290775_100000210206 [0,2,0,0,0,0|0,1,0]=3 3130 B13R1.342 CC(F)COCC(=O)c1ccsc1 34a_100015925927_100011219462 [0,2,0,0,0,0|2,0,0]=4 3131 B13R1.342 CC(O)CCN[C@H](C)c1ccco1 2230a_100160469435_100012276601 [0,2,0,0,0,0|1,0,1]=4 3132 B13R1.342 CC(O)CCO[C@@H](C)c1ccco1 34a_100000755270_100012276601 [0,2,0,0,0,0|1,0,1]=4 3133 B13R1.342 CC(O)CCO[C@@H](C)c1ccco1 7a_100000755270_100012276601 [0,2,0,0,0,0|1,0,1]=4 3134 B13R1.342 CC(O)CNCC(=O)c1cccs1 2230a_100000210904_100000211436 [0,2,0,0,0,0|0,1,0]=3 3135 B13R1.342 CC(O)CNCC(=O)c1ccsc1 2230a_100000210904_100011219462 [0,2,0,0,0,0|2,0,0]=4 3136 B13R1.342 CC(O)CNCC(=O)c1ccsc1 34a_100000210904_100011219462 [0,2,0,0,0,0|2,0,0]=4 3137 B13R1.342 CC(O)CNCC(=O)n1cccn1 2230a_100000210904_100000077511 [0,2,0,0,0,0|2,0,0]=4 3138 B13R1.342 CC(O)CNCC(O)c1ccco1 2230a_100000738650_100011218427 [0,2,0,0,0,0|0,0,2]=4 3139 B13R1.342 CC(O)CSCC(=O)c1ccc[nH]1 62a_100011218427_200011262396 [0,2,0,0,0,0|1,0,0]=3 3140 B13R1.342 CC(O)CSCC(=O)c1ccc[nH]1 62a_200011262396_100011218427 [0,2,0,0,0,0|1,0,0]=3 3141 B13R1.342 CC(O)CSCC(=O)c1ccco1 62a_100000211439_100011218427 [0,2,0,0,0,0|0,0,0]=2 3142 B13R1.342 CC(O)CSCC(=O)c1ccco1 62a_100011218427_100000211439 [0,2,0,0,0,0|0,0,0]=2 3143 B13R1.342 CC(O)CSCC(=O)c1cccs1 62a_100000211436_100011218427 [0,2,0,0,0,0|0,1,0]=3 3144 B13R1.342 CC(O)CSCC(=O)c1cccs1 62a_100011218427_100000211436 [0,2,0,0,0,0|0,1,0]=3 3145 B13R1.342 CC(O)CSCC(=O)c1ccsc1 62a_100011218427_100011219462 [0,2,0,0,0,0|2,0,0]=4 3146 B13R1.342 CC(O)CSCC(=O)c1ccsc1 62a_100011219462_100011218427 [0,2,0,0,0,0|2,0,0]=4 3147 B13R1.342 CC(O)CSCC(=O)c1nccs1 62a_100000718653_100011218427 [0,2,0,0,0,0|1,1,0]=4 3148 B13R1.342 CC(O)CSCC(=O)c1nccs1 62a_100011218427_100000718653 [0,2,0,0,0,0|1,1,0]=4 3149 B13R1.342 CC(O)CSCC(=O)n1cccn1 62a_100000077511_100011218427 [0,2,0,0,0,0|2,0,0]=4 3150 B13R1.342 CC(O)CSCC(=O)n1cccn1 62a_100011218427_100000077511 [0,2,0,0,0,0|2,0,0]=4 3151 B13R1.342 C[C@@H](Cl)COCC(=O)c1ccsc1 34a_100016084084_100011219462 [0,2,0,0,0,0|2,0,0]=4 3152 B13R1.342 C[C@@H](N)COCC(=O)c1ccsc1 34a_100000737577_100011219462 [0,2,0,0,0,0|2,0,0]=4 3153 B13R1.342 C[C@@H](O)CNCC(O)c1ccco1 2230a_100000738650_100009817552 [0,2,0,0,0,0|0,0,2]=4 3154 B13R1.342 C[C@@H](O)CSCC(=O)c1ccc[nH]1 62a_100009817552_200011262396 [0,2,0,0,0,0|1,0,0]=3 3155 B13R1.342 C[C@@H](O)CSCC(=O)c1ccc[nH]1 62a_200011262396_100009817552 [0,2,0,0,0,0|1,0,0]=3 3156 B13R1.342 C[C@@H](O)CSCC(=O)c1ccco1 62a_100000211439_100009817552 [0,2,0,0,0,0|0,0,0]=2 3157 B13R1.342 C[C@@H](O)CSCC(=O)c1ccco1 62a_100009817552_100000211439 [0,2,0,0,0,0|0,0,0]=2 3158 B13R1.342 C[C@@H](O)CSCC(=O)c1cccs1 62a_100000211436_100009817552 [0,2,0,0,0,0|0,1,0]=3 3159 B13R1.342 C[C@@H](O)CSCC(=O)c1cccs1 62a_100009817552_100000211436 [0,2,0,0,0,0|0,1,0]=3 3160 B13R1.342 C[C@@H](O)CSCC(=O)c1ccsc1 62a_100009817552_100011219462 [0,2,0,0,0,0|2,0,0]=4 3161 B13R1.342 C[C@@H](O)CSCC(=O)c1ccsc1 62a_100011219462_100009817552 [0,2,0,0,0,0|2,0,0]=4 3162 B13R1.342 C[C@@H](O)CSCC(=O)c1nccs1 62a_100000718653_100009817552 [0,2,0,0,0,0|1,1,0]=4 3163 B13R1.342 C[C@@H](O)CSCC(=O)c1nccs1 62a_100009817552_100000718653 [0,2,0,0,0,0|1,1,0]=4 3164 B13R1.342 C[C@@H](O)CSCC(=O)n1cccn1 62a_100000077511_100009817552 [0,2,0,0,0,0|2,0,0]=4 3165 B13R1.342 C[C@@H](O)CSCC(=O)n1cccn1 62a_100009817552_100000077511 [0,2,0,0,0,0|2,0,0]=4 3166 B13R1.342 NC(=O)CSCC(=O)c1ccco1 62a_100000211439_100000747473 [0,2,0,0,0,0|1,0,1]=4 3167 B13R1.342 NC(=O)CSCC(=O)c1ccco1 62a_100000747473_100000211439 [0,2,0,0,0,0|1,0,1]=4 3168 B13R1.342 O=C(CSCC(F)F)c1ccc[nH]1 62a_100011934356_200011262396 [0,2,0,0,0,0|2,0,0]=4 3169 B13R1.342 O=C(CSCC(F)F)c1ccc[nH]1 62a_200011262396_100011934356 [0,2,0,0,0,0|2,0,0]=4 3170 B13R1.342 O=C(CSCC(F)F)c1ccco1 62a_100000211439_100011934356 [0,2,0,0,0,0|1,0,0]=3 3171 B13R1.342 O=C(CSCC(F)F)c1ccco1 62a_100011934356_100000211439 [0,2,0,0,0,0|1,0,0]=3 3172 B13R1.342 O=C(CSCC(F)F)c1cccs1 62a_100000211436_100011934356 [0,2,0,0,0,0|1,1,0]=4 3173 B13R1.342 O=C(CSCC(F)F)c1cccs1 62a_100011934356_100000211436 [0,2,0,0,0,0|1,1,0]=4 3174 B13R1.342 O=C(CSC[N+](=O)[O-])c1ccco1 62a_100000211439_100000761209 [0,2,0,0,0,0|2,0,0]=4 3175 B13R1.342 O=C(O)CNCC(=O)c1ccco1 269956a_100016091260_100000211439 [0,2,0,0,0,0|1,0,1]=4 3176 B13R1.342 O=C([O-])CSCC(=O)c1ccco1 62a_100000211439_100020667443 [0,2,0,0,0,0|1,0,1]=4 3177 B13R1.342 O=C([O-])CSCC(=O)c1ccco1 62a_100020667443_100000211439 [0,2,0,0,0,0|1,0,1]=4 3178 B13R1.342 [13CH3]C(=O)CCNC(=O)c1ccco1 1458a_100000184273_200025704644 [0,2,0,0,0,0|0,0,1]=3 3179 B13R1.342 [13CH3]C(=O)CCNC(=O)c1cccs1 1458a_100000195306_200025704644 [0,2,0,0,0,0|0,1,1]=4 3180 B13R1.725 CCCOCC(=O)c1cccn1C 34a_100000210258_200011262399 [0,2,0,0,0,0|1,0,0]=3 3181 B13R1.725 CCCOCC(=O)c1nccn1C 34a_100000210258_100010243886 [0,2,0,0,0,0|2,0,0]=4 3182 B13R1.725 CCCOCC(=O)c1sccc1Br 34a_100000210258_100000740827 [0,2,0,0,0,0|0,1,0]=3 3183 B13R1.725 CCCSCC(=O)c1cccn1C 62a_100000210303_200011262399 [0,2,0,0,0,0|1,0,0]=3 3184 B13R1.725 CCCSCC(=O)c1cccn1C 62a_200011262399_100000210303 [0,2,0,0,0,0|1,0,0]=3 3185 B13R1.725 CCCSCC(=O)c1nccn1C 62a_100000210303_100010243886 [0,2,0,0,0,0|2,0,0]=4 3186 B13R1.725 CCCSCC(=O)c1nccn1C 62a_100010243886_100000210303 [0,2,0,0,0,0|2,0,0]=4 3187 B13R1.725 CCCSCC(=O)c1sccc1Br 62a_100000740827_100000210303 [0,2,0,0,0,0|0,1,0]=3 3188 B13R1.725 COCSCC(=O)c1cccn1C 62a_100000766300_200011262399 [0,2,0,0,0,0|2,0,0]=4 3189 B13R1.725 COCSCC(=O)c1cccn1C 62a_200011262399_100000766300 [0,2,0,0,0,0|2,0,0]=4 3190 B13R1.725 COCSCC(=O)c1sccc1Br 62a_100000740827_100000766300 [0,2,0,0,0,0|1,1,0]=4 3191 B13R1.725 CSCSCC(=O)c1cccn1C 62a_100011218213_200011262399 [0,2,0,0,0,0|2,0,0]=4 3192 B13R1.725 CSCSCC(=O)c1cccn1C 62a_200011262399_100011218213 [0,2,0,0,0,0|2,0,0]=4 3193 B13R1.725 CSCSCC(=O)c1sccc1Br 62a_100000740827_100011218213 [0,2,0,0,0,0|1,1,0]=4 3194 B13R1.725 Cn1cccc1C(=O)CNCCF 34a_100000724931_200011262399 [0,2,0,0,0,0|2,0,0]=4 3195 B13R1.725 Cn1cccc1C(=O)CNCCO 2230a_100016997473_200011262399 [0,2,0,0,0,0|2,0,0]=4 3196 B13R1.725 Cn1cccc1C(=O)CNCCO 34a_100016990907_200011262399 [0,2,0,0,0,0|2,0,0]=4 3197 B13R1.725 Cn1cccc1C(=O)COCCBr 34a_100000211926_200011262399 [0,2,0,0,0,0|2,0,0]=4 3198 B13R1.725 Cn1cccc1C(=O)COCCN 34a_100000210304_200011262399 [0,2,0,0,0,0|2,0,0]=4 3199 B13R1.725 Cn1cccc1C(=O)CSCCF 62a_100011217306_200011262399 [0,2,0,0,0,0|2,0,0]=4 3200 B13R1.725 Cn1cccc1C(=O)CSCCF 62a_200011262399_100011217306 [0,2,0,0,0,0|2,0,0]=4 3201 B13R1.725 Cn1cccc1C(=O)CSCCO 62a_100000211926_200011262399 [0,2,0,0,0,0|2,0,0]=4 3202 B13R1.725 Cn1cccc1C(=O)CSCCO 62a_200011262399_100000211926 [0,2,0,0,0,0|2,0,0]=4 3203 B13R1.725 NCCOCC(=O)c1sccc1Br 34a_100000210304_100000740827 [0,2,0,0,0,0|1,1,0]=4 3204 B13R1.725 O=C(CNCCF)c1sccc1Br 34a_100000724931_100000740827 [0,2,0,0,0,0|1,1,0]=4 3205 B13R1.725 O=C(CNCCO)c1sccc1Br 2230a_100016997473_100000740827 [0,2,0,0,0,0|1,1,0]=4 3206 B13R1.725 O=C(CNCCO)c1sccc1Br 34a_100016990907_100000740827 [0,2,0,0,0,0|1,1,0]=4 3207 B13R1.725 O=C(COCCBr)c1sccc1Br 34a_100000211926_100000740827 [0,2,0,0,0,0|1,1,0]=4 3208 B13R1.725 O=C(CSCCF)c1sccc1Br 62a_100000740827_100011217306 [0,2,0,0,0,0|1,1,0]=4 3209 B13R1.725 O=C(CSCCO)c1sccc1Br 62a_100000740827_100000211926 [0,2,0,0,0,0|1,1,0]=4 3210 B13R1.170 CCCCC(NCC)c1ccco1 269862a_100015525214_200011535251 [0,2,0,0,0,0|1,0,1]=4 3211 B13R1.168 CC(C)NCC(=O)c1cccn1C 2230a_100138425928_200011262399 [0,2,0,0,0,0|2,0,0]=4 3212 B13R1.168 CC(C)NCC(=O)c1cccn1C 34a_100138425928_200011262399 [0,2,0,0,0,0|2,0,0]=4 3213 B13R1.168 CC(C)NCC(=O)c1sccc1Br 2230a_100138425928_100000740827 [0,2,0,0,0,0|1,1,0]=4 3214 B13R1.168 CC(C)NCC(=O)c1sccc1Br 34a_100138425928_100000740827 [0,2,0,0,0,0|1,1,0]=4 3215 B13R1.168 CC(C)OCC(=O)c1cccn1C 34a_100000212225_200011262399 [0,2,0,0,0,0|2,0,0]=4 3216 B13R1.168 CC(C)OCC(=O)c1sccc1Br 34a_100000212225_100000740827 [0,2,0,0,0,0|1,1,0]=4 3217 B13R1.168 CC(C)SCC(=O)c1cccn1C 62a_100000210206_200011262399 [0,2,0,0,0,0|2,0,0]=4 3218 B13R1.168 CC(C)SCC(=O)c1cccn1C 62a_200011262399_100000210206 [0,2,0,0,0,0|2,0,0]=4 3219 B13R1.168 CC(C)SCC(=O)c1sccc1Br 62a_100000740827_100000210206 [0,2,0,0,0,0|1,1,0]=4 3220 B13R1.340 CC(=O)CN(C)C(=O)c1ccco1 1458a_100000194967_200000210301 [0,2,0,0,0,0|1,0,1]=4 3221 B13R1.340 CC(C)NC(C)C(=O)c1cccs1 2230a_100138425928_100011262360 [0,2,0,0,0,0|1,1,0]=4 3222 B13R1.340 CC(C)SC(C)C(=O)c1cccs1 62a_100000210206_100011262360 [0,2,0,0,0,0|1,1,0]=4 3223 B13R1.340 CC(C)SC(C)C(=O)c1cccs1 62a_100011262360_100000210206 [0,2,0,0,0,0|1,1,0]=4 3224 B13R1.340 CN(CC(=O)[13CH3])C(=O)c1ccco1 1458a_100000194967_200025704644 [0,2,0,0,0,0|1,0,1]=4 3225 B13R1.588 CC(C)CNS(=O)(=O)c1ccco1 270084a_100000210953_200000702926 [0,2,0,0,0,0|2,0,0]=4 3226 B13R1.588 CC(C)CNS(=O)(=O)c1ccco1 274078a_100000210953_200000702926 [0,2,0,0,0,0|2,0,0]=4 3227 B13R1.588 CC(O)CNS(=O)(=O)c1ccco1 270084a_100000210904_200000702926 [0,2,0,0,0,0|2,0,0]=4 3228 B13R1.588 CC(O)CNS(=O)(=O)c1ccco1 274078a_100000210904_200000702926 [0,2,0,0,0,0|2,0,0]=4 3229 B13R1.2780 CC(C)(C)NCC(=O)c1cccs1 2230a_100000715429_100000211436 [0,2,0,0,0,0|1,1,0]=4 3230 B13R1.2780 CC(C)(C)OCC(=O)c1ccc[nH]1 7a_100015890283_200011262396 [0,2,0,0,0,0|2,0,0]=4 3231 B13R1.2780 CC(C)(C)OCC(=O)c1ccco1 7a_100015890283_100000211439 [0,2,0,0,0,0|1,0,0]=3 3232 B13R1.2780 CC(C)(C)OCC(=O)c1cccs1 7a_100015890283_100000211436 [0,2,0,0,0,0|1,1,0]=4 3233 B13R1.2780 CC(C)(C)SCC(=O)c1ccc[nH]1 62a_100000211941_200011262396 [0,2,0,0,0,0|2,0,0]=4 3234 B13R1.2780 CC(C)(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000211941 [0,2,0,0,0,0|2,0,0]=4 3235 B13R1.2780 CC(C)(C)SCC(=O)c1ccco1 62a_100000211439_100000211941 [0,2,0,0,0,0|1,0,0]=3 3236 B13R1.2780 CC(C)(C)SCC(=O)c1ccco1 62a_100000211941_100000211439 [0,2,0,0,0,0|1,0,0]=3 3237 B13R1.2780 CC(C)(C)SCC(=O)c1cccs1 62a_100000211436_100000211941 [0,2,0,0,0,0|1,1,0]=4 3238 B13R1.2780 CC(C)(C)SCC(=O)c1cccs1 62a_100000211941_100000211436 [0,2,0,0,0,0|1,1,0]=4 3239 B13R1.2780 O=C(CSC(F)(F)F)c1ccco1 62a_100000211439_200103152311 [0,2,0,0,0,0|2,0,0]=4 3240 B13R1.2780 O=C(CSC(F)(F)F)c1ccco1 62a_200000243211_100000211439 [0,2,0,0,0,0|2,0,0]=4 3241 B13R1.400 CCCN(C)S(=O)(=O)c1ccco1 270084a_100000747261_200000702926 [0,2,0,0,0,0|2,0,0]=4 3242 B13R1.400 CCCN(C)S(=O)(=O)c1ccco1 274078a_100000747261_200000702926 [0,2,0,0,0,0|2,0,0]=4 3243 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,0,1,1,0,0|2,0,0]=4 3244 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,0,1,1,0,0|2,0,0]=4 3245 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,0,1,1,0,0|2,0,0]=4 3246 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,0,1,1,0,0|2,0,0]=4 3247 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,0,1,1,0,0|2,0,0]=4 3248 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,0,1,1,0,0|1,0,0]=3 3249 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,0,1,1,0,0|2,0,0]=4 3250 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,0,1,1,0,0|2,0,0]=4 3251 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,0,1,1,0,0|2,0,0]=4 3252 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,0,1,1,0,0|2,0,0]=4 3253 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,0,1,1,0,0|2,0,0]=4 3254 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,0,1,1,0,0|2,0,0]=4 3255 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,0,1,1,0,0|1,0,0]=3 3256 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [0,0,1,1,0,0|2,0,0]=4 3257 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,0,1,1,0,0|2,0,0]=4 3258 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,0,1,1,0,0|2,0,0]=4 3259 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,0,1,1,0,0|2,0,0]=4 3260 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,0,1,1,0,0|2,0,0]=4 3261 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,0,1,1,0,0|2,0,0]=4 3262 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [0,0,1,1,0,0|2,0,0]=4 3263 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [0,0,1,1,0,0|2,0,0]=4 3264 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,0,1,1,0,0|2,0,0]=4 3265 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,0,1,1,0,0|2,0,0]=4 3266 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [0,0,1,1,0,0|2,0,0]=4 3267 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,0,1,1,0,0|2,0,0]=4 3268 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [0,0,1,1,0,0|2,0,0]=4 3269 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [0,0,1,1,0,0|2,0,0]=4 3270 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,0,1,1,0,0|2,0,0]=4 3271 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,0,1,1,0,0|2,0,0]=4 3272 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,0,1,1,0,0|2,0,0]=4 3273 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,0,1,1,0,0|2,0,0]=4 3274 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,0,1,1,0,0|2,0,0]=4 3275 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,0,1,1,0,0|2,0,0]=4 3276 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,0,1,1,0,0|2,0,0]=4 3277 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,0,1,1,0,0|2,0,0]=4 3278 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,0,1,1,0,0|2,0,0]=4 3279 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,0,1,1,0,0|2,0,0]=4 3280 B11R1.18 C=Cc1sccc1CCCC 271570a_100011290941_100010071534 [0,0,1,1,0,0|1,1,0]=4 3281 B11R1.18 CCCCc1ccoc1C=O 271570a_100020621405_100000756499 [0,0,1,1,0,0|2,0,0]=4 3282 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [0,0,1,1,0,0|2,0,0]=4 3283 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,0,1,1,0,0|1,0,1]=4 3284 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,0,1,1,0,0|2,0,0]=4 3285 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,0,1,1,0,0|2,0,0]=4 3286 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,0,1,1,0,0|2,0,0]=4 3287 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,0,1,1,0,0|2,0,0]=4 3288 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,0,1,1,0,0|2,0,0]=4 3289 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,0,1,1,0,0|1,0,0]=3 3290 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,0,1,1,0,0|1,0,0]=3 3291 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,0,1,1,0,0|1,1,0]=4 3292 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [0,0,1,1,0,0|2,0,0]=4 3293 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [0,0,1,1,0,0|2,0,0]=4 3294 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [0,0,1,1,0,0|2,0,0]=4 3295 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [0,0,1,1,0,0|2,0,0]=4 3296 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [0,0,1,1,0,0|2,0,0]=4 3297 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [0,0,1,1,0,0|2,0,0]=4 3298 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [0,0,1,1,0,0|2,0,0]=4 3299 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [0,0,1,1,0,0|2,0,0]=4 3300 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [0,0,1,1,0,0|2,0,0]=4 3301 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [0,0,1,1,0,0|2,0,0]=4 3302 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [0,0,1,1,0,0|2,0,0]=4 3303 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [0,0,1,1,0,0|2,0,0]=4 3304 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [0,0,1,1,0,0|2,0,0]=4 3305 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [0,0,1,1,0,0|2,0,0]=4 3306 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [0,0,1,1,0,0|2,0,0]=4 3307 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [0,0,1,1,0,0|2,0,0]=4 3308 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [0,0,1,1,0,0|2,0,0]=4 3309 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [0,0,1,1,0,0|2,0,0]=4 3310 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [0,0,1,1,0,0|2,0,0]=4 3311 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [0,0,1,1,0,0|2,0,0]=4 3312 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [0,0,1,1,0,0|2,0,0]=4 3313 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [0,0,1,1,0,0|2,0,0]=4 3314 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [0,0,1,1,0,0|2,0,0]=4 3315 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,0,1,1,0,0|2,0,0]=4 3316 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,0,1,1,0,0|2,0,0]=4 3317 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,0,1,1,0,0|2,0,0]=4 3318 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,0,1,1,0,0|2,0,0]=4 3319 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,0,1,1,0,0|2,0,0]=4 3320 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,0,1,1,0,0|2,0,0]=4 3321 B11R1.214 CCCCc1ccc(o1)C=O 271570a_100020621405_100000185145 [0,0,1,1,0,0|0,0,2]=4 3322 B11R1.214 CCCCc1ccc(o1)CO 271570a_100020621405_100000246276 [0,0,1,1,0,0|0,0,2]=4 3323 B11R1.214 CCCCc1ccc(s1)C=O 271570a_100020621405_100000179771 [0,0,1,1,0,0|0,1,1]=4 3324 B11R1.214 CCCCc1ccc(s1)CO 271570a_100020621405_100000246291 [0,0,1,1,0,0|0,1,1]=4 3325 B11R1.214 CCCCc1coc(c1)C=O 271570a_100020621405_100000747035 [0,0,1,1,0,0|2,0,0]=4 3326 B11R1.301 C/C=C/C=CC(=O)CC1CC1 1458a_100000185730_100000742324 [0,0,1,1,0,0|1,0,0]=3 3327 B11R1.301 C/C=C/C=CC(=O)CC1CO1 1458a_100000185730_100011216344 [0,0,1,1,0,0|2,0,0]=4 3328 B11R1.301 C/C=C/C=CC(=O)CC1CS1 1458a_100000185730_100000031435 [0,0,1,1,0,0|2,0,0]=4 3329 B11R1.301 C/C=C/C=CC(=O)C[C@@H]1CO1 1458a_100000185730_100000745022 [0,0,1,1,0,0|2,0,0]=4 3330 B11R1.301 C/C=C/C=CC(=O)NC1CC1 1626a_100000212008_100000185730 [0,0,1,1,0,0|2,0,0]=4 3331 B11R1.301 C/C=C/C=CC(=O)NC1CC1 240690a_100000212008_100000185730 [0,0,1,1,0,0|2,0,0]=4 3332 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [1,0,0,1,0,0|1,0,0]=3 3333 B11R2.2 C1=C(CCC1)c2cccs2 271570a_100000089523_100011215356 [1,0,0,1,0,0|1,1,0]=4 3334 B11R2.2 C1=C(CCC1)c2cnco2 271570a_100000089523_100020591547 [1,0,0,1,0,0|2,0,0]=4 3335 B11R2.2 C1=C(CCC1)c2ncco2 271570a_100000089523_100011787736 [1,0,0,1,0,0|2,0,0]=4 3336 B11R2.2 C1=C(CCO1)c2ccco2 271570a_100000118173_100009814098 [1,0,0,1,0,0|2,0,0]=4 3337 B11R2.2 C1=C(COC1)c2ccco2 271570a_100009872500_100009814098 [1,0,0,1,0,0|2,0,0]=4 3338 B11R2.1031 C=C(c1ccco1)C2CC2 271570a_100010895485_100009814098 [1,0,0,1,0,0|1,0,0]=3 3339 B11R2.1031 C=C(c1cccs1)C2CC2 271570a_100010895485_100011215356 [1,0,0,1,0,0|1,1,0]=4 3340 B11R2.1031 C=C(c1cnco1)C2CC2 271570a_100010895485_100020591547 [1,0,0,1,0,0|2,0,0]=4 3341 B11R2.1031 C=C(c1ncco1)C2CC2 271570a_100010895485_100011787736 [1,0,0,1,0,0|2,0,0]=4 3342 B11R2.237 c1coc(c1)SC2CCC2 62a_100009814098_100000749161 [1,0,0,1,0,0|1,0,0]=3 3343 B11R2.237 c1coc(c1)SC2COC2 62a_100009814098_100009818527 [1,0,0,1,0,0|2,0,0]=4 3344 B11R2.237 c1coc(n1)SC2CCC2 62a_100011787736_100000749161 [1,0,0,1,0,0|2,0,0]=4 3345 B11R2.237 c1csc(c1)SC2CCC2 62a_100011215356_100000749161 [1,0,0,1,0,0|1,1,0]=4 3346 B11R2.237 c1ncc(o1)SC2CCC2 62a_100020591547_100000749161 [1,0,0,1,0,0|2,0,0]=4 3347 B11R2.385 C(#CC1CC1)c2ccco2 271570a_200009880635_100009814098 [1,0,0,1,0,0|0,0,2]=4 3348 B11R2.385 C(=CC1CC1)c2ccco2 271570a_100102526188_100009814098 [1,0,0,1,0,0|0,0,1]=3 3349 B11R2.385 C(=CC1CC1)c2cccs2 271570a_100102526188_100011215356 [1,0,0,1,0,0|0,1,1]=4 3350 B11R2.385 C(=CC1CC1)c2cnco2 271570a_100102526188_100020591547 [1,0,0,1,0,0|1,0,1]=4 3351 B11R2.385 C(=CC1CC1)c2ncco2 271570a_100102526188_100011787736 [1,0,0,1,0,0|1,0,1]=4 3352 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [1,0,0,1,0,0|1,0,1]=4 3353 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [1,0,0,1,0,0|1,0,1]=4 3354 B11R2.385 c1coc(c1)SCC2CC2 62a_100000756562_100009814098 [1,0,0,1,0,0|1,0,0]=3 3355 B11R2.385 c1coc(c1)SCC2CC2 62a_100009814098_100000742324 [1,0,0,1,0,0|1,0,0]=3 3356 B11R2.385 c1coc(c1)SCC2CO2 62a_100009814098_102125554688 [1,0,0,1,0,0|2,0,0]=4 3357 B11R2.385 c1coc(c1)SCC2CO2 62a_102125554688_100009814098 [1,0,0,1,0,0|2,0,0]=4 3358 B11R2.385 c1coc(c1)SCC2CS2 62a_100000031435_100009814098 [1,0,0,1,0,0|2,0,0]=4 3359 B11R2.385 c1coc(c1)SCC2CS2 62a_100009814098_100000031435 [1,0,0,1,0,0|2,0,0]=4 3360 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100000745022_100009814098 [1,0,0,1,0,0|2,0,0]=4 3361 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100009814098_100000745022 [1,0,0,1,0,0|2,0,0]=4 3362 B11R2.385 c1coc(n1)SCC2CC2 62a_100000756562_100011787736 [1,0,0,1,0,0|2,0,0]=4 3363 B11R2.385 c1coc(n1)SCC2CC2 62a_100011787736_100000742324 [1,0,0,1,0,0|2,0,0]=4 3364 B11R2.385 c1csc(c1)SCC2CC2 62a_100000756562_100011215356 [1,0,0,1,0,0|1,1,0]=4 3365 B11R2.385 c1csc(c1)SCC2CC2 62a_100011215356_100000742324 [1,0,0,1,0,0|1,1,0]=4 3366 B11R2.385 c1ncc(o1)SCC2CC2 62a_100000756562_100020591547 [1,0,0,1,0,0|2,0,0]=4 3367 B11R2.385 c1ncc(o1)SCC2CC2 62a_100020591547_100000742324 [1,0,0,1,0,0|2,0,0]=4 3368 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,0,0,1,0,1|2,0,0]=4 3369 B13R2.3 C1=C(CCCC1)c2ccccn2 271570a_100000062251_100011216584 [0,0,0,1,0,1|2,0,0]=4 3370 B13R2.3 C1=C(CCCC1)c2cccnc2 271570a_100000062251_100000752921 [0,0,0,1,0,1|2,0,0]=4 3371 B13R2.3 C1=C(CCCC1)c2cccnn2 271570a_100000062251_100016991348 [0,0,0,1,0,1|2,0,0]=4 3372 B13R2.3 C1=C(CCCC1)c2ccncc2 271570a_100000062251_100000035832 [0,0,0,1,0,1|2,0,0]=4 3373 B13R2.3 C1=C(CCCC1)c2ccncn2 271570a_100000062251_100000703185 [0,0,0,1,0,1|2,0,0]=4 3374 B13R2.3 C1=C(CCCC1)c2cnccn2 271570a_100000062251_100000758340 [0,0,0,1,0,1|2,0,0]=4 3375 B13R2.3 C1=C(CCCC1)c2ncccn2 271570a_100000062251_100000211032 [0,0,0,1,0,1|2,0,0]=4 3376 B13R2.690 O=C(CC1CC1)C2=CCCCO2 1458a_100000764163_100000742324 [0,0,0,1,0,1|0,0,2]=4 3377 B13R2.690 O=C(CC1CC1)C2=COCCO2 1458a_100000008702_100000742324 [0,0,0,1,0,1|0,0,2]=4 3378 B13R2.690 O=C(CC1CC1)c2ccccc2 1458a_100000185807_100000742324 [0,0,0,1,0,1|1,0,0]=3 3379 B13R2.690 O=C(CC1CO1)c2ccccc2 1458a_100000185807_100011216344 [0,0,0,1,0,1|2,0,0]=4 3380 B13R2.690 O=C(CC1CS1)c2ccccc2 1458a_100000185807_100000031435 [0,0,0,1,0,1|2,0,0]=4 3381 B13R2.690 O=C(C[C@@H]1CO1)c2ccccc2 1458a_100000185807_100000745022 [0,0,0,1,0,1|2,0,0]=4 3382 B13R2.690 O=C(NC1CC1)c2ccccc2 1626a_100000212008_100000185807 [0,0,0,1,0,1|2,0,0]=4 3383 B13R2.690 O=C(NC1CC1)c2ccccc2 240690a_100000212008_100000185807 [0,0,0,1,0,1|2,0,0]=4 3384 B13R2.690 O=C(NC1CC1)c2ccccc2 527a_100000212008_100000185807 [0,0,0,1,0,1|2,0,0]=4 3385 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [0,0,0,1,0,1|2,0,0]=4 3386 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [0,0,0,1,0,1|2,0,0]=4 3387 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [0,0,0,1,0,1|2,0,0]=4 3388 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [0,0,0,1,0,1|2,0,0]=4 3389 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [0,0,0,1,0,1|2,0,0]=4 3390 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [0,0,0,1,0,1|2,0,0]=4 3391 B13R2.8137 O=C(C1=CCCCO1)C2CCC2 1458a_100000764163_100000749161 [0,0,0,1,0,1|0,0,2]=4 3392 B13R2.8137 O=C(C1=COCCO1)C2CCC2 1458a_100000008702_100000749161 [0,0,0,1,0,1|0,0,2]=4 3393 B13R2.8137 O=C(c1ccccc1)C2CCC2 1458a_100000185807_100000749161 [0,0,0,1,0,1|1,0,0]=3 3394 B13R2.8137 O=C(c1ccccc1)C2COC2 1458a_100000185807_100000687716 [0,0,0,1,0,1|2,0,0]=4 3395 B13R2.8137 O=C(c1ccccc1)N2CCC2 11a_100000754969_100000185807 [0,0,0,1,0,1|2,0,0]=4 3396 B13R2.8137 O=C(c1ccccc1)N2CCC2 240690a_100000754969_100000185807 [0,0,0,1,0,1|2,0,0]=4 3397 B13R2.8137 O=C(c1ccccc1)N2CCC2 527a_100000754969_100000185807 [0,0,0,1,0,1|2,0,0]=4 3398 B13R2.64 c1coc(c1)SC2CCCCC2 62a_100000210327_100009814098 [0,0,0,1,0,1|1,0,1]=4 3399 B13R2.64 c1coc(c1)SC2CCCCC2 62a_100009814098_100000210327 [0,0,0,1,0,1|1,0,1]=4 3400 B13R2.142 C[C@@H]1CCN(C1)Cc2ccco2 270004a_100016987628_100000186105 [0,0,0,1,0,1|2,0,0]=4 3401 B13R2.164 CCCCc1cc2sccc2s1 271570a_100020621405_200010191111 [0,0,0,1,0,1|0,2,0]=4 3402 B13R2.201 CC1CC1C(=O)Cc2c[nH]cn2 1458a_100000211227_100000707719 [0,0,0,1,0,1|2,0,0]=4 3403 B13R2.201 CC1CC1C(=O)Cc2ccn[nH]2 1458a_100000211227_100000728653 [0,0,0,1,0,1|2,0,0]=4 3404 B13R2.201 CC1CC1C(=O)Cc2ccon2 1458a_100000211227_100000234950 [0,0,0,1,0,1|2,0,0]=4 3405 B13R2.201 CC1CC1C(=O)Cc2ccsc2 1458a_100000211227_100011233845 [0,0,0,1,0,1|2,0,0]=4 3406 B13R2.201 CC1CC1C(=O)Cc2cncs2 1458a_100000211227_100015185245 [0,0,0,1,0,1|1,1,0]=4 3407 B13R2.201 CC1CC1C(=O)Cc2cscn2 1458a_100000211227_100000205941 [0,0,0,1,0,1|2,0,0]=4 3408 B13R2.201 CC1CC1C(=O)Cc2ncco2 1458a_100000211227_103436540062 [0,0,0,1,0,1|1,0,0]=3 3409 B13R2.201 CC1CC1C(=O)Cc2nccs2 1458a_100000211227_100015184050 [0,0,0,1,0,1|1,1,0]=4 3410 B13R2.201 O=C(Cc1ncco1)[C@@H]2C[C@@H]2F 1458a_100015396687_103436540062 [0,0,0,1,0,1|2,0,0]=4 3411 B13R2.634 CCC1CN(C1)Cc2ccco2 270004a_100015205115_100000186105 [0,0,0,1,0,1|2,0,0]=4 3412 B13R2.696 CN(Cc1ccco1)CC2CC2 2230a_100000185268_100000742324 [0,0,0,1,0,1|2,0,0]=4 3413 B13R2.696 CN(Cc1ccco1)CC2CC2 269982a_100000185268_100000756562 [0,0,0,1,0,1|2,0,0]=4 3414 B13R2.696 CN(Cc1ccco1)CC2CC2 270004a_100000741881_100000186105 [0,0,0,1,0,1|2,0,0]=4 3415 B13R2.696 O=C(CC1CC1)Cn2cccc2 1458a_100011196272_100000742324 [0,0,0,1,0,1|2,0,0]=4 3416 B13R2.696 O=C(CC1CC1)Cn2cccn2 1458a_100000233772_100000742324 [0,0,0,1,0,1|2,0,0]=4 3417 B13R2.696 O=C(Cc1c[nH]cn1)CC2CC2 1458a_100000738066_100000707719 [0,0,0,1,0,1|2,0,0]=4 3418 B13R2.696 O=C(Cc1c[nH]cn1)CC2CC2 1458a_100015291406_100000742324 [0,0,0,1,0,1|2,0,0]=4 3419 B13R2.696 O=C(Cc1ccc[nH]1)CC2CC2 1458a_100000238377_100000742324 [0,0,0,1,0,1|1,0,0]=3 3420 B13R2.696 O=C(Cc1ccc[nH]1)CC2CO2 1458a_100000238377_100011216344 [0,0,0,1,0,1|2,0,0]=4 3421 B13R2.696 O=C(Cc1ccc[nH]1)CC2CS2 1458a_100000238377_100000031435 [0,0,0,1,0,1|2,0,0]=4 3422 B13R2.696 O=C(Cc1ccc[nH]1)C[C@@H]2CO2 1458a_100000238377_100000745022 [0,0,0,1,0,1|2,0,0]=4 3423 B13R2.696 O=C(Cc1ccc[nH]1)NC2CC2 240690a_100000212008_100000238377 [0,0,0,1,0,1|2,0,0]=4 3424 B13R2.696 O=C(Cc1ccc[nH]1)NC2CC2 527a_100000212008_100000238377 [0,0,0,1,0,1|2,0,0]=4 3425 B13R2.696 O=C(Cc1ccco1)CC2CC2 1458a_100011217309_100000742324 [0,0,0,1,0,1|0,0,0]=2 3426 B13R2.696 O=C(Cc1ccco1)CC2CO2 1458a_100011217309_100011216344 [0,0,0,1,0,1|1,0,0]=3 3427 B13R2.696 O=C(Cc1ccco1)CC2CS2 1458a_100011217309_100000031435 [0,0,0,1,0,1|1,0,0]=3 3428 B13R2.696 O=C(Cc1ccco1)C[C@@H]2CO2 1458a_100011217309_100000745022 [0,0,0,1,0,1|1,0,0]=3 3429 B13R2.696 O=C(Cc1ccco1)NC2CC2 527a_100000212008_100011217309 [0,0,0,1,0,1|1,0,0]=3 3430 B13R2.696 O=C(Cc1cccs1)CC2CC2 1458a_100000210189_100000742324 [0,0,0,1,0,1|0,1,0]=3 3431 B13R2.696 O=C(Cc1cccs1)CC2CO2 1458a_100000210189_100011216344 [0,0,0,1,0,1|1,1,0]=4 3432 B13R2.696 O=C(Cc1cccs1)CC2CS2 1458a_100000210189_100000031435 [0,0,0,1,0,1|1,1,0]=4 3433 B13R2.696 O=C(Cc1cccs1)C[C@@H]2CO2 1458a_100000210189_100000745022 [0,0,0,1,0,1|1,1,0]=4 3434 B13R2.696 O=C(Cc1cccs1)NC2CC2 1626a_100000212008_100000210189 [0,0,0,1,0,1|1,1,0]=4 3435 B13R2.696 O=C(Cc1cccs1)NC2CC2 240690a_100000212008_100000210189 [0,0,0,1,0,1|1,1,0]=4 3436 B13R2.696 O=C(Cc1ccn[nH]1)CC2CC2 1458a_100000738066_100000728653 [0,0,0,1,0,1|2,0,0]=4 3437 B13R2.696 O=C(Cc1ccn[nH]1)CC2CC2 1458a_100000752941_100000742324 [0,0,0,1,0,1|2,0,0]=4 3438 B13R2.696 O=C(Cc1ccoc1)CC2CC2 1458a_100000684892_100000742324 [0,0,0,1,0,1|2,0,0]=4 3439 B13R2.696 O=C(Cc1ccon1)CC2CC2 1458a_100000738066_100000234950 [0,0,0,1,0,1|2,0,0]=4 3440 B13R2.696 O=C(Cc1ccsc1)CC2CC2 1458a_100000184062_100000742324 [0,0,0,1,0,1|2,0,0]=4 3441 B13R2.696 O=C(Cc1ccsc1)CC2CC2 1458a_100000738066_100011233845 [0,0,0,1,0,1|2,0,0]=4 3442 B13R2.696 O=C(Cc1cncs1)CC2CC2 1458a_100000738066_100015185245 [0,0,0,1,0,1|1,1,0]=4 3443 B13R2.696 O=C(Cc1cscn1)CC2CC2 1458a_100000738066_100000205941 [0,0,0,1,0,1|2,0,0]=4 3444 B13R2.696 O=C(Cc1cscn1)CC2CC2 1458a_100011438297_100000742324 [0,0,0,1,0,1|2,0,0]=4 3445 B13R2.696 O=C(Cc1ncco1)CC2CC2 1458a_100000738066_103436540062 [0,0,0,1,0,1|1,0,0]=3 3446 B13R2.696 O=C(Cc1nccs1)CC2CC2 1458a_100000738066_100015184050 [0,0,0,1,0,1|1,1,0]=4 3447 B13R2.14233 CN(Cc1ccco1)C2CCC2 269982a_100000185268_100000749161 [0,0,0,1,0,1|2,0,0]=4 3448 B13R2.14233 CN(Cc1ccco1)C2CCC2 270004a_100000185268_100000241760 [0,0,0,1,0,1|2,0,0]=4 3449 B13R2.14233 CN(Cc1ccco1)C2CCC2 270004a_100000758072_100000186105 [0,0,0,1,0,1|2,0,0]=4 3450 B13R2.14233 O=C(Cc1c[nH]cn1)C2CCC2 1458a_100000209988_100000707719 [0,0,0,1,0,1|2,0,0]=4 3451 B13R2.14233 O=C(Cc1c[nH]cn1)C2CCC2 1458a_100015291406_100000749161 [0,0,0,1,0,1|2,0,0]=4 3452 B13R2.14233 O=C(Cc1ccc[nH]1)C2CCC2 1458a_100000238377_100000749161 [0,0,0,1,0,1|1,0,0]=3 3453 B13R2.14233 O=C(Cc1ccc[nH]1)C2COC2 1458a_100000238377_100000687716 [0,0,0,1,0,1|2,0,0]=4 3454 B13R2.14233 O=C(Cc1ccc[nH]1)N2CCC2 11a_100000754969_100000238377 [0,0,0,1,0,1|2,0,0]=4 3455 B13R2.14233 O=C(Cc1ccc[nH]1)N2CCC2 240690a_100000754969_100000238377 [0,0,0,1,0,1|2,0,0]=4 3456 B13R2.14233 O=C(Cc1ccc[nH]1)N2CCC2 527a_100000754969_100000238377 [0,0,0,1,0,1|2,0,0]=4 3457 B13R2.14233 O=C(Cc1ccco1)C2CCC2 1458a_100011217309_100000749161 [0,0,0,1,0,1|0,0,0]=2 3458 B13R2.14233 O=C(Cc1ccco1)C2COC2 1458a_100011217309_100000687716 [0,0,0,1,0,1|1,0,0]=3 3459 B13R2.14233 O=C(Cc1ccco1)N2CCC2 11a_100000754969_100011217309 [0,0,0,1,0,1|1,0,0]=3 3460 B13R2.14233 O=C(Cc1ccco1)N2CCC2 527a_100000754969_100011217309 [0,0,0,1,0,1|1,0,0]=3 3461 B13R2.14233 O=C(Cc1cccs1)C2CCC2 1458a_100000210189_100000749161 [0,0,0,1,0,1|0,1,0]=3 3462 B13R2.14233 O=C(Cc1cccs1)C2COC2 1458a_100000210189_100000687716 [0,0,0,1,0,1|1,1,0]=4 3463 B13R2.14233 O=C(Cc1cccs1)N2CCC2 11a_100000754969_100000210189 [0,0,0,1,0,1|1,1,0]=4 3464 B13R2.14233 O=C(Cc1cccs1)N2CCC2 240690a_100000754969_100000210189 [0,0,0,1,0,1|1,1,0]=4 3465 B13R2.14233 O=C(Cc1ccn[nH]1)C2CCC2 1458a_100000209988_100000728653 [0,0,0,1,0,1|2,0,0]=4 3466 B13R2.14233 O=C(Cc1ccn[nH]1)C2CCC2 1458a_100000752941_100000749161 [0,0,0,1,0,1|2,0,0]=4 3467 B13R2.14233 O=C(Cc1ccoc1)C2CCC2 1458a_100000684892_100000749161 [0,0,0,1,0,1|2,0,0]=4 3468 B13R2.14233 O=C(Cc1ccon1)C2CCC2 1458a_100000209988_100000234950 [0,0,0,1,0,1|2,0,0]=4 3469 B13R2.14233 O=C(Cc1ccsc1)C2CCC2 1458a_100000184062_100000749161 [0,0,0,1,0,1|2,0,0]=4 3470 B13R2.14233 O=C(Cc1ccsc1)C2CCC2 1458a_100000209988_100011233845 [0,0,0,1,0,1|2,0,0]=4 3471 B13R2.14233 O=C(Cc1cncs1)C2CCC2 1458a_100000209988_100015185245 [0,0,0,1,0,1|1,1,0]=4 3472 B13R2.14233 O=C(Cc1cscn1)C2CCC2 1458a_100000209988_100000205941 [0,0,0,1,0,1|2,0,0]=4 3473 B13R2.14233 O=C(Cc1cscn1)C2CCC2 1458a_100011438297_100000749161 [0,0,0,1,0,1|2,0,0]=4 3474 B13R2.14233 O=C(Cc1ncco1)C2CCC2 1458a_100000209988_103436540062 [0,0,0,1,0,1|1,0,0]=3 3475 B13R2.14233 O=C(Cc1ncco1)C2CCO2 1458a_100000089072_103436540062 [0,0,0,1,0,1|2,0,0]=4 3476 B13R2.14233 O=C(Cc1ncco1)C2COC2 1458a_100000758290_103436540062 [0,0,0,1,0,1|2,0,0]=4 3477 B13R2.14233 O=C(Cc1nccs1)C2CCC2 1458a_100000209988_100015184050 [0,0,0,1,0,1|1,1,0]=4 3478 B13R2.14233 O=C(Cn1cccc1)C2CCC2 1458a_100011196272_100000749161 [0,0,0,1,0,1|2,0,0]=4 3479 B13R2.14233 O=C(Cn1cccn1)C2CCC2 1458a_100000233772_100000749161 [0,0,0,1,0,1|2,0,0]=4 3480 B13R2.13 O=C1C=C(CCC1)c2ccco2 271570a_100000723966_100009814098 [0,1,0,1,0,0|1,0,1]=4 3481 B13R2.445 C[C@@H](NC1CCC1)c2ccco2 270004a_100160469435_100000241760 [0,1,0,1,0,0|1,0,1]=4 3482 B13R2.445 C[C@H](OC1CCC1)c2ccco2 34a_100000755270_100000749161 [0,1,0,1,0,0|1,0,1]=4 3483 B13R2.445 O=C(CN1CCC1)c2ccc[nH]2 269982a_100000754969_200011262396 [0,1,0,1,0,0|1,0,0]=3 3484 B13R2.445 O=C(CN1CCC1)c2ccco2 269982a_100000754969_100000211439 [0,1,0,1,0,0|0,0,0]=2 3485 B13R2.445 O=C(CN1CCC1)c2cccs2 269982a_100000754969_100000211436 [0,1,0,1,0,0|0,1,0]=3 3486 B13R2.445 O=C(CN1CCC1)c2ccsc2 269982a_100000754969_100011219462 [0,1,0,1,0,0|2,0,0]=4 3487 B13R2.445 O=C(CN1CCC1)c2nccs2 269982a_100000754969_100000718653 [0,1,0,1,0,0|1,1,0]=4 3488 B13R2.445 O=C(CN1CCC1)n2cccn2 269982a_100000754969_100000077511 [0,1,0,1,0,0|2,0,0]=4 3489 B13R2.2975 O=C(NC1CC1)c2ccc(o2)O 271570a_203496583355_200000160655 [0,1,0,1,0,0|1,0,0]=3 3490 B13R2.2975 O=C(NC1CC1)c2ccc(s2)O 271570a_203496583355_100000155667 [0,1,0,1,0,0|1,1,0]=4 3491 B13R2.443 CC(=NNC1CC1)c2ccco2 4a_100000701032_100000210965 [0,1,0,1,0,0|2,0,0]=4 3492 B13R2.443 C[C@@H](NCC1CC1)c2ccco2 2230a_100160469435_100000742324 [0,1,0,1,0,0|1,0,1]=4 3493 B13R2.443 C[C@@H](NCC1CC1)c2ccco2 269862a_100160469435_100000741477 [0,1,0,1,0,0|1,0,1]=4 3494 B13R2.443 C[C@H](OCC1CC1)c2ccco2 34a_100000755270_100000742324 [0,1,0,1,0,0|1,0,1]=4 3495 B13R2.443 C[C@H](OCC1CC1)c2ccco2 7a_100000755270_100000742324 [0,1,0,1,0,0|1,0,1]=4 3496 B13R2.443 O=C(CNC1CC1)c2ccsc2 34a_100000212008_100011219462 [0,1,0,1,0,0|2,0,0]=4 3497 B13R2.443 O=C(CSC1CC1)c2ccc[nH]2 62a_200011262396_100000211595 [0,1,0,1,0,0|1,0,0]=3 3498 B13R2.443 O=C(CSC1CC1)c2ccco2 62a_100000211439_100000211595 [0,1,0,1,0,0|0,0,0]=2 3499 B13R2.443 O=C(CSC1CC1)c2cccs2 62a_100000211436_100000211595 [0,1,0,1,0,0|0,1,0]=3 3500 B13R2.443 O=C(CSC1CC1)c2ccsc2 62a_100011219462_100000211595 [0,1,0,1,0,0|2,0,0]=4 3501 B13R2.443 O=C(CSC1CC1)c2nccs2 62a_100000718653_100000211595 [0,1,0,1,0,0|1,1,0]=4 3502 B13R2.443 O=C(CSC1CC1)n2cccn2 62a_100000077511_100000211595 [0,1,0,1,0,0|2,0,0]=4 3503 B13R2.677 C1=C(CCCCC1)c2ccco2 271570a_200009888920_100009814098 [0,1,0,1,0,0|1,0,0]=3 3504 B13R2.677 C1=C(CCCCC1)c2cccs2 271570a_200009888920_100011215356 [0,1,0,1,0,0|1,1,0]=4 3505 B13R2.677 C1=C(CCCCC1)c2cnco2 271570a_200009888920_100020591547 [0,1,0,1,0,0|2,0,0]=4 3506 B13R2.677 C1=C(CCCCC1)c2ncco2 271570a_200009888920_100011787736 [0,1,0,1,0,0|2,0,0]=4 3507 B13R2.12 CC1CC=C(CC1)c2ccco2 271570a_100010240233_100009814098 [0,1,0,1,0,0|1,0,0]=3 3508 B13R2.12 CC1CC=C(CC1)c2cccs2 271570a_100010240233_100011215356 [0,1,0,1,0,0|1,1,0]=4 3509 B13R2.12 CC1CC=C(CC1)c2cnco2 271570a_100010240233_100020591547 [0,1,0,1,0,0|2,0,0]=4 3510 B13R2.12 CC1CC=C(CC1)c2ncco2 271570a_100010240233_100011787736 [0,1,0,1,0,0|2,0,0]=4 3511 B13R2.12 OC1CC=C(CC1)c2ccco2 271570a_100010254553_100009814098 [0,1,0,1,0,0|1,0,0]=3 3512 B13R2.12 OC1CC=C(CC1)c2cccs2 271570a_100010254553_100011215356 [0,1,0,1,0,0|1,1,0]=4 3513 B13R2.12 OC1CC=C(CC1)c2cnco2 271570a_100010254553_100020591547 [0,1,0,1,0,0|2,0,0]=4 3514 B13R2.12 OC1CC=C(CC1)c2ncco2 271570a_100010254553_100011787736 [0,1,0,1,0,0|2,0,0]=4 3515 B13R2.468 CCCCc1csc2c1scc2 271570a_100020621405_100009817191 [0,1,0,1,0,0|0,2,0]=4 3516 B13R2.3062 O=S(=O)(NC1CC1)c2ccco2 270084a_100000212008_200000702926 [0,1,0,1,0,0|2,0,0]=4 3517 B13R2.3062 O=S(=O)(NC1CC1)c2ccco2 274078a_100000212008_200000702926 [0,1,0,1,0,0|2,0,0]=4 3518 B13R2.20751 O=S(=O)(c1ccco1)N2CCC2 270084a_100000754969_200000702926 [0,1,0,1,0,0|2,0,0]=4 3519 B13R2.20751 O=S(=O)(c1ccco1)N2CCC2 274078a_100000754969_200000702926 [0,1,0,1,0,0|2,0,0]=4 3520 B13R2.15 Brc1ccsc1C2=CCCCC2 271570a_100000062251_100012361411 [0,1,0,1,0,0|1,1,0]=4 3521 B13R2.15 Cc1ccsc1C2=CCCCC2 271570a_100000062251_100000742657 [0,1,0,1,0,0|1,1,0]=4 3522 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,0,0,0,2,0|0,0,2]=4 3523 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [0,0,0,0,0,2|2,0,0]=4 3524 B13R1.44 CCCCC(=Cc1ccccn1)Br 271570a_206741709834_100011216584 [0,0,0,0,0,2|2,0,0]=4 3525 B13R1.44 CCCCC(=Cc1cccnc1)Br 271570a_206741709834_100000752921 [0,0,0,0,0,2|2,0,0]=4 3526 B13R1.44 CCCCC(=Cc1cccnn1)Br 271570a_206741709834_100016991348 [0,0,0,0,0,2|2,0,0]=4 3527 B13R1.44 CCCCC(=Cc1ccncc1)Br 271570a_206741709834_100000035832 [0,0,0,0,0,2|2,0,0]=4 3528 B13R1.44 CCCCC(=Cc1ccncn1)Br 271570a_206741709834_100000703185 [0,0,0,0,0,2|2,0,0]=4 3529 B13R1.44 CCCCC(=Cc1cnccn1)Br 271570a_206741709834_100000758340 [0,0,0,0,0,2|2,0,0]=4 3530 B13R1.44 CCCCC(=Cc1ncccn1)Br 271570a_206741709834_100000211032 [0,0,0,0,0,2|2,0,0]=4 3531 B13R1.44 CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210211 [0,0,0,0,0,2|2,0,0]=4 3532 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,0,0,0,0,2|1,0,0]=3 3533 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000210183_100000721315 [0,0,0,0,0,2|1,0,0]=3 3534 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210211 [0,0,0,0,0,2|1,0,0]=3 3535 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [0,0,0,0,0,2|1,0,0]=3 3536 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [0,0,0,0,0,2|1,0,0]=3 3537 B13R1.44 CCCCC(=O)Cc1cccnn1 1458a_100000210183_100016990269 [0,0,0,0,0,2|1,0,0]=3 3538 B13R1.44 CCCCC(=O)Cc1ccncc1 1458a_100000210183_100000705612 [0,0,0,0,0,2|1,0,0]=3 3539 B13R1.44 CCCCC(=O)Cc1cnccn1 1458a_100000210183_100016995436 [0,0,0,0,0,2|1,0,0]=3 3540 B13R1.44 CCCCC(=O)Cc1cncnc1 1458a_100000210183_100015196519 [0,0,0,0,0,2|2,0,0]=4 3541 B13R1.44 CCCCC(=O)Cc1cncnc1 1458a_100000721575_100000210211 [0,0,0,0,0,2|2,0,0]=4 3542 B13R1.44 CCCCC(=O)Cc1ncccn1 1458a_100000210183_100000703007 [0,0,0,0,0,2|1,0,0]=3 3543 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [0,0,0,0,0,2|1,0,0]=3 3544 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [0,0,0,0,0,2|1,0,0]=3 3545 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [0,0,0,0,0,2|1,0,0]=3 3546 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [0,0,0,0,0,2|1,0,0]=3 3547 B13R1.44 CCCNC(=O)Cc1ccccn1 11a_100020643023_100000233486 [0,0,0,0,0,2|2,0,0]=4 3548 B13R1.44 CCCNC(=O)Cc1cccnc1 11a_100020643023_100000737805 [0,0,0,0,0,2|2,0,0]=4 3549 B13R1.44 CCCNC(=O)Cc1cccnc1 240690a_100020643023_100000737805 [0,0,0,0,0,2|2,0,0]=4 3550 B13R1.44 CCCNC(=O)Cc1cccnc1 527a_100020643023_100000737805 [0,0,0,0,0,2|2,0,0]=4 3551 B13R1.44 CCCNC(=O)Cc1ccncc1 11a_100020643023_100011201483 [0,0,0,0,0,2|2,0,0]=4 3552 B13R1.44 CCCNC(=O)Cc1ccncc1 240690a_100020643023_100011201483 [0,0,0,0,0,2|2,0,0]=4 3553 B13R1.44 CCCNC(=O)Cc1cnccn1 11a_100020643023_100000726051 [0,0,0,0,0,2|2,0,0]=4 3554 B13R1.44 CCCNC(=O)Cc1cnccn1 240690a_100020643023_100000726051 [0,0,0,0,0,2|2,0,0]=4 3555 B13R1.44 CCCNC(=O)Cc1cnccn1 527a_100020643023_100000726051 [0,0,0,0,0,2|2,0,0]=4 3556 B13R1.44 CCCNC(=O)Nc1ccccc1 2430a_100000106764_100020643023 [0,0,0,0,0,2|2,0,0]=4 3557 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [0,0,0,0,0,2|2,0,0]=4 3558 B13R1.44 CCNCC(=O)Nc1ccccc1 2230a_100015525214_100000182850 [0,0,0,0,0,2|2,0,0]=4 3559 B13R1.44 CCNCC(=O)Nc1ccccn1 2230a_100015525214_100020662008 [0,0,0,0,0,2|2,0,0]=4 3560 B13R1.44 CCNCC(=O)Nc1ccncc1 2230a_100015525214_100000754145 [0,0,0,0,0,2|2,0,0]=4 3561 B13R1.44 CCNCC(=O)Oc1ccccc1 2230a_100015525214_100009813826 [0,0,0,0,0,2|2,0,0]=4 3562 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [0,0,0,0,0,2|2,0,0]=4 3563 B13R1.44 CCOCC(=O)Cc1ccccn1 1458a_100000211967_100000721315 [0,0,0,0,0,2|2,0,0]=4 3564 B13R1.44 CCOCC(=O)Cc1cccnc1 1458a_100000211967_100000733263 [0,0,0,0,0,2|2,0,0]=4 3565 B13R1.44 CCOCC(=O)Cc1cccnn1 1458a_100000211967_100016990269 [0,0,0,0,0,2|2,0,0]=4 3566 B13R1.44 CCOCC(=O)Cc1ccncc1 1458a_100000211967_100000705612 [0,0,0,0,0,2|2,0,0]=4 3567 B13R1.44 CCOCC(=O)Cc1cnccn1 1458a_100000211967_100016995436 [0,0,0,0,0,2|2,0,0]=4 3568 B13R1.44 CCOCC(=O)Cc1ncccn1 1458a_100000211967_100000703007 [0,0,0,0,0,2|2,0,0]=4 3569 B13R1.44 CCOCC(=O)Nc1ccccc1 11a_100000106764_100000211967 [0,0,0,0,0,2|2,0,0]=4 3570 B13R1.44 CCOCC(=O)Nc1ccccc1 1626a_100000106764_100000211967 [0,0,0,0,0,2|2,0,0]=4 3571 B13R1.44 CCOCC(=O)Nc1ccccc1 22a_100000106764_100000211967 [0,0,0,0,0,2|2,0,0]=4 3572 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210202 [0,0,0,0,0,2|2,0,0]=4 3573 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100121572206_100000182850 [0,0,0,0,0,2|2,0,0]=4 3574 B13R1.44 CCOCC(=O)Nc1ccccc1 527a_100000106764_100000211967 [0,0,0,0,0,2|2,0,0]=4 3575 B13R1.44 CCOCC(=O)Oc1ccccc1 34a_100121572206_100009813826 [0,0,0,0,0,2|2,0,0]=4 3576 B13R1.44 CCSCC(=O)Cc1ccccc1 1458a_100000230394_100015291786 [0,0,0,0,0,2|2,0,0]=4 3577 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000210202_100000233483 [0,0,0,0,0,2|2,0,0]=4 3578 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000233483_100000210202 [0,0,0,0,0,2|2,0,0]=4 3579 B13R1.44 CCSCC(=O)Cc1ccccn1 1458a_100000230394_100000721315 [0,0,0,0,0,2|2,0,0]=4 3580 B13R1.44 CCSCC(=O)Cc1cccnc1 1458a_100000230394_100000733263 [0,0,0,0,0,2|2,0,0]=4 3581 B13R1.44 CCSCC(=O)Cc1cccnn1 1458a_100000230394_100016990269 [0,0,0,0,0,2|2,0,0]=4 3582 B13R1.44 CCSCC(=O)Cc1ccncc1 1458a_100000230394_100000705612 [0,0,0,0,0,2|2,0,0]=4 3583 B13R1.44 CCSCC(=O)Cc1cnccn1 1458a_100000230394_100016995436 [0,0,0,0,0,2|2,0,0]=4 3584 B13R1.44 CCSCC(=O)Cc1ncccn1 1458a_100000230394_100000703007 [0,0,0,0,0,2|2,0,0]=4 3585 B13R1.44 CCSCC(=O)Nc1ccccc1 11a_100000106764_100000230394 [0,0,0,0,0,2|2,0,0]=4 3586 B13R1.44 CCSCC(=O)Nc1ccccc1 1626a_100000106764_100000230394 [0,0,0,0,0,2|2,0,0]=4 3587 B13R1.44 CCSCC(=O)Nc1ccccc1 22a_100000106764_100000230394 [0,0,0,0,0,2|2,0,0]=4 3588 B13R1.44 CCSCC(=O)Nc1ccccc1 527a_100000106764_100000230394 [0,0,0,0,0,2|2,0,0]=4 3589 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100000210202_100000182850 [0,0,0,0,0,2|2,0,0]=4 3590 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100012148978_100000210202 [0,0,0,0,0,2|2,0,0]=4 3591 B13R1.44 CCSCC(=O)Nc1ccccn1 62a_100000210202_100020662008 [0,0,0,0,0,2|2,0,0]=4 3592 B13R1.44 CCSCC(=O)Nc1ccccn1 62a_100020662008_100000210202 [0,0,0,0,0,2|2,0,0]=4 3593 B13R1.44 CCSCC(=O)Nc1ccncc1 62a_100000210202_100000754145 [0,0,0,0,0,2|2,0,0]=4 3594 B13R1.44 CCSCC(=O)Nc1ncccn1 62a_100000183248_100000210202 [0,0,0,0,0,2|2,0,0]=4 3595 B13R1.44 CCSCC(=O)Nc1ncccn1 62a_100000210202_100000183248 [0,0,0,0,0,2|2,0,0]=4 3596 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100000210202_100009813826 [0,0,0,0,0,2|2,0,0]=4 3597 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100009813826_100000210202 [0,0,0,0,0,2|2,0,0]=4 3598 B13R1.44 CNCCC(=O)Nc1ccccc1 2230a_106832991635_100000242058 [0,0,0,0,0,2|2,0,0]=4 3599 B13R1.44 CNCCC(=O)Nc1ccccc1 34a_100102657272_100000242058 [0,0,0,0,0,2|2,0,0]=4 3600 B13R1.44 CNCCC(=O)Nc1ccccc1 7a_106832991635_100000242058 [0,0,0,0,0,2|2,0,0]=4 3601 B13R1.44 CNCCC(=O)Nc1cccnc1 2230a_106832991635_200015187043 [0,0,0,0,0,2|2,0,0]=4 3602 B13R1.44 CNCCC(=O)Nc1cccnc1 34a_100000748795_200000210301 [0,0,0,0,0,2|2,0,0]=4 3603 B13R1.44 CNCCC(=O)Nc1cccnc1 7a_106832991635_200015187043 [0,0,0,0,0,2|2,0,0]=4 3604 B13R1.44 CNCCC(=O)Oc1ccccc1 2230a_106832991635_200000035796 [0,0,0,0,0,2|2,0,0]=4 3605 B13R1.44 CNCCC(=O)Oc1ccccc1 7a_106832991635_200000035796 [0,0,0,0,0,2|2,0,0]=4 3606 B13R1.44 COCCC(=O)Cc1ccccc1 1458a_100000749529_100015291786 [0,0,0,0,0,2|2,0,0]=4 3607 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000233486_100000233755 [0,0,0,0,0,2|2,0,0]=4 3608 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000749529_100000721315 [0,0,0,0,0,2|2,0,0]=4 3609 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000737805_100000233755 [0,0,0,0,0,2|2,0,0]=4 3610 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000749529_100000733263 [0,0,0,0,0,2|2,0,0]=4 3611 B13R1.44 COCCC(=O)Cc1cccnn1 1458a_100000749529_100016990269 [0,0,0,0,0,2|2,0,0]=4 3612 B13R1.44 COCCC(=O)Cc1ccncc1 1458a_100000749529_100000705612 [0,0,0,0,0,2|2,0,0]=4 3613 B13R1.44 COCCC(=O)Cc1cnccn1 1458a_100000749529_100016995436 [0,0,0,0,0,2|2,0,0]=4 3614 B13R1.44 COCCC(=O)Cc1ncccn1 1458a_100000749529_100000703007 [0,0,0,0,0,2|2,0,0]=4 3615 B13R1.44 COCCC(=O)Nc1ccccc1 11a_100000106764_100000749529 [0,0,0,0,0,2|2,0,0]=4 3616 B13R1.44 COCCC(=O)Nc1ccccc1 1626a_100000106764_100000749529 [0,0,0,0,0,2|2,0,0]=4 3617 B13R1.44 COCCC(=O)Nc1ccccc1 22a_100000106764_100000749529 [0,0,0,0,0,2|2,0,0]=4 3618 B13R1.44 COCCC(=O)Nc1ccccc1 34a_100138415774_100000242058 [0,0,0,0,0,2|2,0,0]=4 3619 B13R1.44 COCCC(=O)Nc1ccccc1 527a_100000106764_100000749529 [0,0,0,0,0,2|2,0,0]=4 3620 B13R1.44 CSCCC(=O)Cc1ccccc1 1458a_100000174002_100015291786 [0,0,0,0,0,2|2,0,0]=4 3621 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000174002_100000721315 [0,0,0,0,0,2|2,0,0]=4 3622 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000233486_100000751147 [0,0,0,0,0,2|2,0,0]=4 3623 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000174002_100000733263 [0,0,0,0,0,2|2,0,0]=4 3624 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000737805_100000751147 [0,0,0,0,0,2|2,0,0]=4 3625 B13R1.44 CSCCC(=O)Cc1cccnn1 1458a_100000174002_100016990269 [0,0,0,0,0,2|2,0,0]=4 3626 B13R1.44 CSCCC(=O)Cc1ccncc1 1458a_100000174002_100000705612 [0,0,0,0,0,2|2,0,0]=4 3627 B13R1.44 CSCCC(=O)Cc1cnccn1 1458a_100000174002_100016995436 [0,0,0,0,0,2|2,0,0]=4 3628 B13R1.44 CSCCC(=O)Cc1ncccn1 1458a_100000174002_100000703007 [0,0,0,0,0,2|2,0,0]=4 3629 B13R1.44 CSCCC(=O)Nc1ccccc1 11a_100000106764_100000174002 [0,0,0,0,0,2|2,0,0]=4 3630 B13R1.44 CSCCC(=O)Nc1ccccc1 1626a_100000106764_100000174002 [0,0,0,0,0,2|2,0,0]=4 3631 B13R1.44 CSCCC(=O)Nc1ccccc1 22a_100000106764_100000174002 [0,0,0,0,0,2|2,0,0]=4 3632 B13R1.44 CSCCC(=O)Nc1ccccc1 527a_100000106764_100000174002 [0,0,0,0,0,2|2,0,0]=4 3633 B13R1.44 CSCCC(=O)Nc1ccccc1 62a_200000210301_100000242058 [0,0,0,0,0,2|2,0,0]=4 3634 B13R1.44 CSCCC(=O)Nc1cccnc1 62a_200000210301_200015187043 [0,0,0,0,0,2|2,0,0]=4 3635 B13R1.44 CSCCC(=O)Oc1ccccc1 62a_200000210301_200000035796 [0,0,0,0,0,2|2,0,0]=4 3636 B13R1.44 O=C(CCCF)Cc1ccccn1 1458a_100000233486_100011934791 [0,0,0,0,0,2|2,0,0]=4 3637 B13R1.44 O=C(CCCF)Cc1cccnc1 1458a_100000737805_100011934791 [0,0,0,0,0,2|2,0,0]=4 3638 B13R1.44 O=C(CCCO)Cc1ccccn1 1458a_100000233486_100011215043 [0,0,0,0,0,2|2,0,0]=4 3639 B13R1.44 O=C(CCCO)Cc1cccnc1 1458a_100000737805_100011215043 [0,0,0,0,0,2|2,0,0]=4 3640 B13R1.44 [13CH3]NCCC(=O)Nc1cccnc1 34a_100000748795_200025704644 [0,0,0,0,0,2|2,0,0]=4 3641 B13R1.44 [13CH3]SCCC(=O)Nc1ccccc1 62a_200025704644_100000242058 [0,0,0,0,0,2|2,0,0]=4 3642 B13R1.44 [13CH3]SCCC(=O)Nc1cccnc1 62a_200025704644_200015187043 [0,0,0,0,0,2|2,0,0]=4 3643 B13R1.44 [13CH3]SCCC(=O)Oc1ccccc1 62a_200025704644_200000035796 [0,0,0,0,0,2|2,0,0]=4 3644 B13R1.153 C#CCCC(=O)CCc1ccco1 1458a_100000185103_100000753159 [0,0,0,0,0,2|0,0,2]=4 3645 B13R1.153 C#CCCC(=O)NCc1ccco1 11a_100000185738_100000692101 [0,0,0,0,0,2|0,0,2]=4 3646 B13R1.153 C#CCCC(=O)NCc1ccco1 1626a_100000185738_100000692101 [0,0,0,0,0,2|0,0,2]=4 3647 B13R1.153 C#CCCC(=O)NCc1ccco1 240690a_100000185738_100000692101 [0,0,0,0,0,2|0,0,2]=4 3648 B13R1.153 C#CCCC(=O)NCc1ccco1 527a_100000185738_100000692101 [0,0,0,0,0,2|0,0,2]=4 3649 B13R1.153 C/C=C/CC(=O)CCc1ccco1 1458a_100000185103_100102629194 [0,0,0,0,0,2|0,0,2]=4 3650 B13R1.153 C=CCCC(=O)CCc1ccco1 1458a_100000185103_100000754431 [0,0,0,0,0,2|0,0,2]=4 3651 B13R1.153 C=CCCC(=O)NCc1ccco1 11a_100000185738_100000749702 [0,0,0,0,0,2|0,0,2]=4 3652 B13R1.153 C=CCCC(=O)NCc1ccco1 1626a_100000185738_100000749702 [0,0,0,0,0,2|0,0,2]=4 3653 B13R1.153 C=CCCC(=O)NCc1ccco1 240690a_100000185738_100000749702 [0,0,0,0,0,2|0,0,2]=4 3654 B13R1.153 C=CCCC(=O)NCc1ccco1 527a_100000185738_100000749702 [0,0,0,0,0,2|0,0,2]=4 3655 B13R1.153 CC#CCC(=O)CCc1ccco1 1458a_100000185103_100000748600 [0,0,0,0,0,2|0,0,2]=4 3656 B13R1.153 CC=CCC(=O)CCc1ccco1 1458a_100000185103_100000070051 [0,0,0,0,0,2|0,0,2]=4 3657 B13R1.153 CC=CCC(=O)NCc1ccco1 11a_100000185738_100121576822 [0,0,0,0,0,2|0,0,2]=4 3658 B13R1.153 CC=CCC(=O)NCc1ccco1 1626a_100000185738_100121576822 [0,0,0,0,0,2|0,0,2]=4 3659 B13R1.153 CC=CCC(=O)NCc1ccco1 240690a_100000185738_100121576822 [0,0,0,0,0,2|0,0,2]=4 3660 B13R1.153 CC=CCC(=O)NCc1ccco1 527a_100000185738_100121576822 [0,0,0,0,0,2|0,0,2]=4 3661 B13R1.153 CCC=CC(=O)NCc1ccco1 11a_100000185738_100000212282 [0,0,0,0,0,2|0,0,2]=4 3662 B13R1.153 CCC=CC(=O)NCc1ccco1 1626a_100000185738_100000212282 [0,0,0,0,0,2|0,0,2]=4 3663 B13R1.153 CCC=CC(=O)NCc1ccco1 240690a_100000185738_100000212282 [0,0,0,0,0,2|0,0,2]=4 3664 B13R1.153 CCCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210211 [0,0,0,0,0,2|2,0,0]=4 3665 B13R1.153 CCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210211 [0,0,0,0,0,2|0,1,0]=3 3666 B13R1.153 CCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210211 [0,0,0,0,0,2|2,0,0]=4 3667 B13R1.153 CCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210211 [0,0,0,0,0,2|2,0,0]=4 3668 B13R1.153 CCCCC(=O)C=Cc1cscn1 1458a_200000747928_100000210211 [0,0,0,0,0,2|2,0,0]=4 3669 B13R1.153 CCCCC(=O)C=Cc1nccs1 1458a_100102558208_100000210211 [0,0,0,0,0,2|1,1,0]=4 3670 B13R1.153 CCCCC(=O)C=Cc1nccs1 6a_100000750902_100000032102 [0,0,0,0,0,2|1,1,0]=4 3671 B13R1.153 CCCCC(=O)CCc1c[nH]cn1 1458a_100000210183_100020628418 [0,0,0,0,0,2|2,0,0]=4 3672 B13R1.153 CCCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210211 [0,0,0,0,0,2|2,0,0]=4 3673 B13R1.153 CCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210211 [0,0,0,0,0,2|1,0,0]=3 3674 B13R1.153 CCCCC(=O)CCc1ccco1 1458a_100000185103_100000210211 [0,0,0,0,0,2|0,0,0]=2 3675 B13R1.153 CCCCC(=O)CCc1cccs1 1458a_100000185280_100000210211 [0,0,0,0,0,2|0,1,0]=3 3676 B13R1.153 CCCCC(=O)CCc1cccs1 1458a_100000210183_100000748579 [0,0,0,0,0,2|0,1,0]=3 3677 B13R1.153 CCCCC(=O)CCc1ccsc1 1458a_100000195497_100000210211 [0,0,0,0,0,2|2,0,0]=4 3678 B13R1.153 CCCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210211 [0,0,0,0,0,2|2,0,0]=4 3679 B13R1.153 CCCCC(=O)CCc1cncs1 1458a_100012184922_100000210211 [0,0,0,0,0,2|1,1,0]=4 3680 B13R1.153 CCCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210211 [0,0,0,0,0,2|2,0,0]=4 3681 B13R1.153 CCCCC(=O)CCc1nccs1 1458a_100000742873_100000210211 [0,0,0,0,0,2|1,1,0]=4 3682 B13R1.153 CCCCC(=O)CCn1cccc1 1458a_100000210183_200000035178 [0,0,0,0,0,2|2,0,0]=4 3683 B13R1.153 CCCCC(=O)CCn1cccc1 1458a_100011196273_100000210211 [0,0,0,0,0,2|2,0,0]=4 3684 B13R1.153 CCCCC(=O)CCn1cccn1 1458a_100000210183_100000685285 [0,0,0,0,0,2|2,0,0]=4 3685 B13R1.153 CCCCC(=O)CCn1cccn1 1458a_100000242649_100000210211 [0,0,0,0,0,2|2,0,0]=4 3686 B13R1.153 CCCCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210183 [0,0,0,0,0,2|2,0,0]=4 3687 B13R1.153 CCCCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210183 [0,0,0,0,0,2|2,0,0]=4 3688 B13R1.153 CCCCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210183 [0,0,0,0,0,2|2,0,0]=4 3689 B13R1.153 CCCCC(=O)NCc1cc[nH]n1 11a_100000739516_100000210183 [0,0,0,0,0,2|2,0,0]=4 3690 B13R1.153 CCCCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000210183 [0,0,0,0,0,2|2,0,0]=4 3691 B13R1.153 CCCCC(=O)NCc1cc[nH]n1 527a_100000739516_100000210183 [0,0,0,0,0,2|2,0,0]=4 3692 B13R1.153 CCCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210183 [0,0,0,0,0,2|1,0,0]=3 3693 B13R1.153 CCCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210183 [0,0,0,0,0,2|1,0,0]=3 3694 B13R1.153 CCCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210183 [0,0,0,0,0,2|1,0,0]=3 3695 B13R1.153 CCCCC(=O)NCc1ccco1 11a_100000185738_100000210183 [0,0,0,0,0,2|0,0,0]=2 3696 B13R1.153 CCCCC(=O)NCc1ccco1 1626a_100000185738_100000210183 [0,0,0,0,0,2|0,0,0]=2 3697 B13R1.153 CCCCC(=O)NCc1ccco1 240690a_100000185738_100000210183 [0,0,0,0,0,2|0,0,0]=2 3698 B13R1.153 CCCCC(=O)NCc1ccco1 527a_100000185738_100000210183 [0,0,0,0,0,2|0,0,0]=2 3699 B13R1.153 CCCCC(=O)NCc1cccs1 11a_100000211653_100000210183 [0,0,0,0,0,2|0,1,0]=3 3700 B13R1.153 CCCCC(=O)NCc1cccs1 1626a_100000211653_100000210183 [0,0,0,0,0,2|0,1,0]=3 3701 B13R1.153 CCCCC(=O)NCc1cccs1 240690a_100000211653_100000210183 [0,0,0,0,0,2|0,1,0]=3 3702 B13R1.153 CCCCC(=O)NCc1cccs1 527a_100000211653_100000210183 [0,0,0,0,0,2|0,1,0]=3 3703 B13R1.153 CCCCC(=O)NCc1ccoc1 11a_100015206860_100000210183 [0,0,0,0,0,2|2,0,0]=4 3704 B13R1.153 CCCCC(=O)NCc1ccoc1 1626a_100015206860_100000210183 [0,0,0,0,0,2|2,0,0]=4 3705 B13R1.153 CCCCC(=O)NCc1ccoc1 240690a_100015206860_100000210183 [0,0,0,0,0,2|2,0,0]=4 3706 B13R1.153 CCCCC(=O)NCc1ccoc1 527a_100015206860_100000210183 [0,0,0,0,0,2|2,0,0]=4 3707 B13R1.153 CCCCC(=O)NCc1ccon1 11a_100000688301_100000210183 [0,0,0,0,0,2|2,0,0]=4 3708 B13R1.153 CCCCC(=O)NCc1ccon1 240690a_100000688301_100000210183 [0,0,0,0,0,2|2,0,0]=4 3709 B13R1.153 CCCCC(=O)NCc1ccon1 527a_100000688301_100000210183 [0,0,0,0,0,2|2,0,0]=4 3710 B13R1.153 CCCCC(=O)NCc1ccsc1 11a_100000186416_100000210183 [0,0,0,0,0,2|2,0,0]=4 3711 B13R1.153 CCCCC(=O)NCc1ccsc1 1626a_100000186416_100000210183 [0,0,0,0,0,2|2,0,0]=4 3712 B13R1.153 CCCCC(=O)NCc1ccsc1 240690a_100000186416_100000210183 [0,0,0,0,0,2|2,0,0]=4 3713 B13R1.153 CCCCC(=O)NCc1ccsc1 527a_100000186416_100000210183 [0,0,0,0,0,2|2,0,0]=4 3714 B13R1.153 CCCCC(=O)NCc1cnco1 11a_100020634212_100000210183 [0,0,0,0,0,2|1,0,0]=3 3715 B13R1.153 CCCCC(=O)NCc1cnco1 240690a_100020634212_100000210183 [0,0,0,0,0,2|1,0,0]=3 3716 B13R1.153 CCCCC(=O)NCc1cnco1 527a_100020634212_100000210183 [0,0,0,0,0,2|1,0,0]=3 3717 B13R1.153 CCCCC(=O)NCc1cncs1 11a_100016987365_100000210183 [0,0,0,0,0,2|1,1,0]=4 3718 B13R1.153 CCCCC(=O)NCc1cncs1 240690a_100016987365_100000210183 [0,0,0,0,0,2|1,1,0]=4 3719 B13R1.153 CCCCC(=O)NCc1cncs1 527a_100016987365_100000210183 [0,0,0,0,0,2|1,1,0]=4 3720 B13R1.153 CCCCC(=O)NCc1cocn1 11a_100015188801_100000210183 [0,0,0,0,0,2|2,0,0]=4 3721 B13R1.153 CCCCC(=O)NCc1cocn1 240690a_100015188801_100000210183 [0,0,0,0,0,2|2,0,0]=4 3722 B13R1.153 CCCCC(=O)NCc1cocn1 527a_100015188801_100000210183 [0,0,0,0,0,2|2,0,0]=4 3723 B13R1.153 CCCCC(=O)NCc1cscn1 11a_100015185402_100000210183 [0,0,0,0,0,2|2,0,0]=4 3724 B13R1.153 CCCCC(=O)NCc1cscn1 1626a_100015185402_100000210183 [0,0,0,0,0,2|2,0,0]=4 3725 B13R1.153 CCCCC(=O)NCc1cscn1 240690a_100015185402_100000210183 [0,0,0,0,0,2|2,0,0]=4 3726 B13R1.153 CCCCC(=O)NCc1cscn1 527a_100015185402_100000210183 [0,0,0,0,0,2|2,0,0]=4 3727 B13R1.153 CCCCC(=O)NCc1ncc[nH]1 11a_100000754540_100000210183 [0,0,0,0,0,2|2,0,0]=4 3728 B13R1.153 CCCCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000210183 [0,0,0,0,0,2|2,0,0]=4 3729 B13R1.153 CCCCC(=O)NCc1ncc[nH]1 527a_100000754540_100000210183 [0,0,0,0,0,2|2,0,0]=4 3730 B13R1.153 CCCCC(=O)NCc1ncco1 11a_100016994969_100000210183 [0,0,0,0,0,2|1,0,0]=3 3731 B13R1.153 CCCCC(=O)NCc1ncco1 1626a_100016994969_100000210183 [0,0,0,0,0,2|1,0,0]=3 3732 B13R1.153 CCCCC(=O)NCc1ncco1 240690a_100016994969_100000210183 [0,0,0,0,0,2|1,0,0]=3 3733 B13R1.153 CCCCC(=O)NCc1ncco1 527a_100016994969_100000210183 [0,0,0,0,0,2|1,0,0]=3 3734 B13R1.153 CCCCC(=O)NCc1nccs1 11a_100000740555_100000210183 [0,0,0,0,0,2|1,1,0]=4 3735 B13R1.153 CCCCC(=O)NCc1nccs1 1626a_100000740555_100000210183 [0,0,0,0,0,2|1,1,0]=4 3736 B13R1.153 CCCCC(=O)NCc1nccs1 240690a_100000740555_100000210183 [0,0,0,0,0,2|1,1,0]=4 3737 B13R1.153 CCCCC(=O)NCc1nccs1 527a_100000740555_100000210183 [0,0,0,0,0,2|1,1,0]=4 3738 B13R1.153 CCCCC(=O)NN=C1C=CCC1 4a_100000189769_100000239507 [0,0,0,0,0,2|1,0,1]=4 3739 B13R1.153 CCCCC(=O)NN=C1CC=CC1 4a_100000189769_100000766571 [0,0,0,0,0,2|1,0,1]=4 3740 B13R1.153 CCCCC(=O)NNc1nccs1 22a_100011198208_100000210183 [0,0,0,0,0,2|1,1,0]=4 3741 B13R1.153 CCCCC(C)NCc1ccco1 207a_100000126638_100000186105 [0,0,0,0,0,2|1,0,1]=4 3742 B13R1.153 CCCCC(C)NCc1ccco1 2230a_100000185738_200011215066 [0,0,0,0,0,2|1,0,1]=4 3743 B13R1.153 CCCCC(C)NCc1ccco1 270004a_100000126638_100000186105 [0,0,0,0,0,2|1,0,1]=4 3744 B13R1.153 CCCCC(C)NCc1ccco1 270004a_100000185738_100000210087 [0,0,0,0,0,2|1,0,1]=4 3745 B13R1.153 CCCCC(C)NCc1ccco1 34a_100000185738_200011215066 [0,0,0,0,0,2|1,0,1]=4 3746 B13R1.153 CCCCC(C)OCc1ccco1 34a_100000210059_200011215066 [0,0,0,0,0,2|1,0,1]=4 3747 B13R1.153 CCCNC(=O)C=Cc1cccs1 11a_100020643023_100000182767 [0,0,0,0,0,2|1,1,0]=4 3748 B13R1.153 CCCNC(=O)C=Cc1cccs1 1626a_100020643023_100000182767 [0,0,0,0,0,2|1,1,0]=4 3749 B13R1.153 CCCNC(=O)C=Cc1cccs1 240690a_100020643023_100000182767 [0,0,0,0,0,2|1,1,0]=4 3750 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 11a_100020643023_200011998680 [0,0,0,0,0,2|2,0,0]=4 3751 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 240690a_100020643023_200011998680 [0,0,0,0,0,2|2,0,0]=4 3752 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 527a_100020643023_200011998680 [0,0,0,0,0,2|2,0,0]=4 3753 B13R1.153 CCCNC(=O)CCc1ccco1 11a_100020643023_100000185103 [0,0,0,0,0,2|1,0,0]=3 3754 B13R1.153 CCCNC(=O)CCc1ccco1 1626a_100020643023_100000185103 [0,0,0,0,0,2|1,0,0]=3 3755 B13R1.153 CCCNC(=O)CCc1ccco1 527a_100020643023_100000185103 [0,0,0,0,0,2|1,0,0]=3 3756 B13R1.153 CCCNC(=O)CCc1cccs1 11a_100020643023_100000185280 [0,0,0,0,0,2|1,1,0]=4 3757 B13R1.153 CCCNC(=O)CCc1cccs1 1626a_100020643023_100000185280 [0,0,0,0,0,2|1,1,0]=4 3758 B13R1.153 CCCNC(=O)CCc1cccs1 240690a_100020643023_100000185280 [0,0,0,0,0,2|1,1,0]=4 3759 B13R1.153 CCCNC(=O)CCc1cccs1 527a_100020643023_100000185280 [0,0,0,0,0,2|1,1,0]=4 3760 B13R1.153 CCCNC(=O)CSc1ccco1 62a_100000183358_100009814098 [0,0,0,0,0,2|1,0,0]=3 3761 B13R1.153 CCCNC(=O)CSc1ccco1 62a_100009814098_100000183358 [0,0,0,0,0,2|1,0,0]=3 3762 B13R1.153 CCCNC(=O)CSc1cccs1 62a_100000183358_100011215356 [0,0,0,0,0,2|1,1,0]=4 3763 B13R1.153 CCCNC(=O)CSc1cccs1 62a_100011215356_100000183358 [0,0,0,0,0,2|1,1,0]=4 3764 B13R1.153 CCCNC(=O)CSc1cnco1 62a_100000183358_100020591547 [0,0,0,0,0,2|2,0,0]=4 3765 B13R1.153 CCCNC(=O)CSc1cnco1 62a_100020591547_100000183358 [0,0,0,0,0,2|2,0,0]=4 3766 B13R1.153 CCCNC(=O)CSc1ncco1 62a_100000183358_100011787736 [0,0,0,0,0,2|2,0,0]=4 3767 B13R1.153 CCCNC(=O)CSc1ncco1 62a_100011787736_100000183358 [0,0,0,0,0,2|2,0,0]=4 3768 B13R1.153 CCCNC(=O)NCc1ccc[nH]1 273464a_100000764082_100020643023 [0,0,0,0,0,2|2,0,0]=4 3769 B13R1.153 CCCNC(=O)NCc1ccc[nH]1 273464a_100020643023_100000764082 [0,0,0,0,0,2|2,0,0]=4 3770 B13R1.153 CCCNC(=O)NCc1ccc[nH]1 512a_100020643023_100000764082 [0,0,0,0,0,2|2,0,0]=4 3771 B13R1.153 CCCNC(=O)NCc1ccco1 2708a_100000185738_100020643023 [0,0,0,0,0,2|1,0,0]=3 3772 B13R1.153 CCCNC(=O)NCc1ccco1 2708a_100020643023_100000185738 [0,0,0,0,0,2|1,0,0]=3 3773 B13R1.153 CCCNC(=O)NCc1ccco1 273464a_100000185738_100020643023 [0,0,0,0,0,2|1,0,0]=3 3774 B13R1.153 CCCNC(=O)NCc1ccco1 512a_100000185738_100020643023 [0,0,0,0,0,2|1,0,0]=3 3775 B13R1.153 CCCNC(=O)NCc1ccco1 512a_100020643023_100000185738 [0,0,0,0,0,2|1,0,0]=3 3776 B13R1.153 CCCNC(=O)NCc1cccs1 2708a_100000211653_100020643023 [0,0,0,0,0,2|1,1,0]=4 3777 B13R1.153 CCCNC(=O)NCc1cccs1 2708a_100020643023_100000211653 [0,0,0,0,0,2|1,1,0]=4 3778 B13R1.153 CCCNC(=O)NCc1cccs1 273464a_100000211653_100020643023 [0,0,0,0,0,2|1,1,0]=4 3779 B13R1.153 CCCNC(=O)NCc1cccs1 273464a_100020643023_100000211653 [0,0,0,0,0,2|1,1,0]=4 3780 B13R1.153 CCCNC(=O)NCc1cccs1 512a_100000211653_100020643023 [0,0,0,0,0,2|1,1,0]=4 3781 B13R1.153 CCCNC(=O)NCc1cccs1 512a_100020643023_100000211653 [0,0,0,0,0,2|1,1,0]=4 3782 B13R1.153 CCCNC(=O)NCc1cnco1 2708a_100020634212_100020643023 [0,0,0,0,0,2|2,0,0]=4 3783 B13R1.153 CCCNC(=O)NCc1cnco1 2708a_100020643023_100020634212 [0,0,0,0,0,2|2,0,0]=4 3784 B13R1.153 CCCNC(=O)NCc1cnco1 273464a_100020634212_100020643023 [0,0,0,0,0,2|2,0,0]=4 3785 B13R1.153 CCCNC(=O)NCc1cnco1 273464a_100020643023_100020634212 [0,0,0,0,0,2|2,0,0]=4 3786 B13R1.153 CCCNC(=O)NCc1cnco1 512a_100020634212_100020643023 [0,0,0,0,0,2|2,0,0]=4 3787 B13R1.153 CCCNC(=O)NCc1cnco1 512a_100020643023_100020634212 [0,0,0,0,0,2|2,0,0]=4 3788 B13R1.153 CCCNC(=O)NCc1ncco1 2708a_100016994969_100020643023 [0,0,0,0,0,2|2,0,0]=4 3789 B13R1.153 CCCNC(=O)NCc1ncco1 2708a_100020643023_100016994969 [0,0,0,0,0,2|2,0,0]=4 3790 B13R1.153 CCCNC(=O)NCc1ncco1 273464a_100016994969_100020643023 [0,0,0,0,0,2|2,0,0]=4 3791 B13R1.153 CCCNC(=O)NCc1ncco1 273464a_100020643023_100016994969 [0,0,0,0,0,2|2,0,0]=4 3792 B13R1.153 CCCNC(=O)NCc1ncco1 512a_100016994969_100020643023 [0,0,0,0,0,2|2,0,0]=4 3793 B13R1.153 CCCNC(=O)NCc1ncco1 512a_100020643023_100016994969 [0,0,0,0,0,2|2,0,0]=4 3794 B13R1.153 CCCOC(=O)CSc1ccco1 62a_100009814098_200011215008 [0,0,0,0,0,2|1,0,0]=3 3795 B13R1.153 CCCOC(=O)CSc1ccco1 62a_200011215008_100009814098 [0,0,0,0,0,2|1,0,0]=3 3796 B13R1.153 CCCOC(=O)CSc1cccs1 62a_100011215356_200011215008 [0,0,0,0,0,2|1,1,0]=4 3797 B13R1.153 CCCOC(=O)CSc1cccs1 62a_200011215008_100011215356 [0,0,0,0,0,2|1,1,0]=4 3798 B13R1.153 CCCOC(=O)CSc1cnco1 62a_100020591547_200011215008 [0,0,0,0,0,2|2,0,0]=4 3799 B13R1.153 CCCOC(=O)CSc1cnco1 62a_200011215008_100020591547 [0,0,0,0,0,2|2,0,0]=4 3800 B13R1.153 CCCOC(=O)CSc1ncco1 62a_100011787736_200011215008 [0,0,0,0,0,2|2,0,0]=4 3801 B13R1.153 CCCOC(=O)CSc1ncco1 62a_200011215008_100011787736 [0,0,0,0,0,2|2,0,0]=4 3802 B13R1.153 CCNCC(=O)NCc1ccco1 2230a_100000741066_100000210202 [0,0,0,0,0,2|1,0,0]=3 3803 B13R1.153 CCNCC(=O)NCc1ccco1 2230a_100015525214_100000183421 [0,0,0,0,0,2|1,0,0]=3 3804 B13R1.153 CCNCC(=O)NCc1cccs1 2230a_100015525214_100000182718 [0,0,0,0,0,2|1,1,0]=4 3805 B13R1.153 CCNNC(=O)C=Cc1ccco1 22a_100000756455_100000720202 [0,0,0,0,0,2|2,0,0]=4 3806 B13R1.153 CCNNC(=O)CCc1ccco1 22a_100000756455_100000185103 [0,0,0,0,0,2|2,0,0]=4 3807 B13R1.153 CCNNC(=O)NCc1ccco1 273464a_100000185738_100000756455 [0,0,0,0,0,2|2,0,0]=4 3808 B13R1.153 CCNNC(=O)NCc1ccco1 512a_100000185738_100000756455 [0,0,0,0,0,2|2,0,0]=4 3809 B13R1.153 CCNNC(=O)NCc1ccco1 512a_100000756455_100000185738 [0,0,0,0,0,2|2,0,0]=4 3810 B13R1.153 CCOCC(=O)CCc1cccs1 1458a_100000211967_100000748579 [0,0,0,0,0,2|1,1,0]=4 3811 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 11a_100000764082_100000211967 [0,0,0,0,0,2|2,0,0]=4 3812 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000211967 [0,0,0,0,0,2|2,0,0]=4 3813 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 527a_100000764082_100000211967 [0,0,0,0,0,2|2,0,0]=4 3814 B13R1.153 CCOCC(=O)NCc1ccco1 11a_100000185738_100000211967 [0,0,0,0,0,2|1,0,0]=3 3815 B13R1.153 CCOCC(=O)NCc1ccco1 1626a_100000185738_100000211967 [0,0,0,0,0,2|1,0,0]=3 3816 B13R1.153 CCOCC(=O)NCc1ccco1 240690a_100000185738_100000211967 [0,0,0,0,0,2|1,0,0]=3 3817 B13R1.153 CCOCC(=O)NCc1ccco1 34a_100121572206_100000183421 [0,0,0,0,0,2|1,0,0]=3 3818 B13R1.153 CCOCC(=O)NCc1ccco1 527a_100000185738_100000211967 [0,0,0,0,0,2|1,0,0]=3 3819 B13R1.153 CCOCC(=O)NCc1cccs1 11a_100000211653_100000211967 [0,0,0,0,0,2|1,1,0]=4 3820 B13R1.153 CCOCC(=O)NCc1cccs1 1626a_100000211653_100000211967 [0,0,0,0,0,2|1,1,0]=4 3821 B13R1.153 CCOCC(=O)NCc1cccs1 240690a_100000211653_100000211967 [0,0,0,0,0,2|1,1,0]=4 3822 B13R1.153 CCOCC(=O)NCc1cccs1 34a_100121572206_100000182718 [0,0,0,0,0,2|1,1,0]=4 3823 B13R1.153 CCOCC(=O)NCc1cccs1 527a_100000211653_100000211967 [0,0,0,0,0,2|1,1,0]=4 3824 B13R1.153 CCOCC(=O)NCc1cnco1 11a_100020634212_100000211967 [0,0,0,0,0,2|2,0,0]=4 3825 B13R1.153 CCOCC(=O)NCc1cnco1 240690a_100020634212_100000211967 [0,0,0,0,0,2|2,0,0]=4 3826 B13R1.153 CCOCC(=O)NCc1cnco1 527a_100020634212_100000211967 [0,0,0,0,0,2|2,0,0]=4 3827 B13R1.153 CCOCC(=O)NCc1ncco1 11a_100016994969_100000211967 [0,0,0,0,0,2|2,0,0]=4 3828 B13R1.153 CCOCC(=O)NCc1ncco1 1626a_100016994969_100000211967 [0,0,0,0,0,2|2,0,0]=4 3829 B13R1.153 CCOCC(=O)NCc1ncco1 240690a_100016994969_100000211967 [0,0,0,0,0,2|2,0,0]=4 3830 B13R1.153 CCOCC(=O)NCc1ncco1 527a_100016994969_100000211967 [0,0,0,0,0,2|2,0,0]=4 3831 B13R1.153 CCSCC(=O)CCc1cccs1 1458a_100000230394_100000748579 [0,0,0,0,0,2|1,1,0]=4 3832 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 11a_100000764082_100000230394 [0,0,0,0,0,2|2,0,0]=4 3833 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000230394 [0,0,0,0,0,2|2,0,0]=4 3834 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 527a_100000764082_100000230394 [0,0,0,0,0,2|2,0,0]=4 3835 B13R1.153 CCSCC(=O)NCc1ccco1 11a_100000185738_100000230394 [0,0,0,0,0,2|1,0,0]=3 3836 B13R1.153 CCSCC(=O)NCc1ccco1 1626a_100000185738_100000230394 [0,0,0,0,0,2|1,0,0]=3 3837 B13R1.153 CCSCC(=O)NCc1ccco1 240690a_100000185738_100000230394 [0,0,0,0,0,2|1,0,0]=3 3838 B13R1.153 CCSCC(=O)NCc1ccco1 527a_100000185738_100000230394 [0,0,0,0,0,2|1,0,0]=3 3839 B13R1.153 CCSCC(=O)NCc1ccco1 62a_100000183421_100000210202 [0,0,0,0,0,2|1,0,0]=3 3840 B13R1.153 CCSCC(=O)NCc1ccco1 62a_100000210202_100000183421 [0,0,0,0,0,2|1,0,0]=3 3841 B13R1.153 CCSCC(=O)NCc1cccs1 11a_100000211653_100000230394 [0,0,0,0,0,2|1,1,0]=4 3842 B13R1.153 CCSCC(=O)NCc1cccs1 1626a_100000211653_100000230394 [0,0,0,0,0,2|1,1,0]=4 3843 B13R1.153 CCSCC(=O)NCc1cccs1 240690a_100000211653_100000230394 [0,0,0,0,0,2|1,1,0]=4 3844 B13R1.153 CCSCC(=O)NCc1cccs1 527a_100000211653_100000230394 [0,0,0,0,0,2|1,1,0]=4 3845 B13R1.153 CCSCC(=O)NCc1cccs1 62a_100000182718_100000210202 [0,0,0,0,0,2|1,1,0]=4 3846 B13R1.153 CCSCC(=O)NCc1cccs1 62a_100000210202_100000182718 [0,0,0,0,0,2|1,1,0]=4 3847 B13R1.153 CCSCC(=O)NCc1cnco1 11a_100020634212_100000230394 [0,0,0,0,0,2|2,0,0]=4 3848 B13R1.153 CCSCC(=O)NCc1cnco1 240690a_100020634212_100000230394 [0,0,0,0,0,2|2,0,0]=4 3849 B13R1.153 CCSCC(=O)NCc1cnco1 527a_100020634212_100000230394 [0,0,0,0,0,2|2,0,0]=4 3850 B13R1.153 CCSCC(=O)NCc1ncco1 11a_100016994969_100000230394 [0,0,0,0,0,2|2,0,0]=4 3851 B13R1.153 CCSCC(=O)NCc1ncco1 1626a_100016994969_100000230394 [0,0,0,0,0,2|2,0,0]=4 3852 B13R1.153 CCSCC(=O)NCc1ncco1 240690a_100016994969_100000230394 [0,0,0,0,0,2|2,0,0]=4 3853 B13R1.153 CCSCC(=O)NCc1ncco1 527a_100016994969_100000230394 [0,0,0,0,0,2|2,0,0]=4 3854 B13R1.153 CNCCC(=O)NCc1ccco1 2230a_106832991635_200011194439 [0,0,0,0,0,2|1,0,0]=3 3855 B13R1.153 COCCC(=O)C=Cc1cccs1 1458a_100000182767_100000233755 [0,0,0,0,0,2|1,1,0]=4 3856 B13R1.153 COCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000233755 [0,0,0,0,0,2|2,0,0]=4 3857 B13R1.153 COCCC(=O)CCc1ccco1 1458a_100000185103_100000233755 [0,0,0,0,0,2|1,0,0]=3 3858 B13R1.153 COCCC(=O)CCc1cccs1 1458a_100000185280_100000233755 [0,0,0,0,0,2|1,1,0]=4 3859 B13R1.153 COCCC(=O)CCc1cccs1 1458a_100000749529_100000748579 [0,0,0,0,0,2|1,1,0]=4 3860 B13R1.153 COCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000749529 [0,0,0,0,0,2|2,0,0]=4 3861 B13R1.153 COCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000749529 [0,0,0,0,0,2|2,0,0]=4 3862 B13R1.153 COCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000749529 [0,0,0,0,0,2|2,0,0]=4 3863 B13R1.153 COCCC(=O)NCc1ccco1 11a_100000185738_100000749529 [0,0,0,0,0,2|1,0,0]=3 3864 B13R1.153 COCCC(=O)NCc1ccco1 1626a_100000185738_100000749529 [0,0,0,0,0,2|1,0,0]=3 3865 B13R1.153 COCCC(=O)NCc1ccco1 240690a_100000185738_100000749529 [0,0,0,0,0,2|1,0,0]=3 3866 B13R1.153 COCCC(=O)NCc1ccco1 527a_100000185738_100000749529 [0,0,0,0,0,2|1,0,0]=3 3867 B13R1.153 COCCC(=O)NCc1cccs1 11a_100000211653_100000749529 [0,0,0,0,0,2|1,1,0]=4 3868 B13R1.153 COCCC(=O)NCc1cccs1 1626a_100000211653_100000749529 [0,0,0,0,0,2|1,1,0]=4 3869 B13R1.153 COCCC(=O)NCc1cccs1 240690a_100000211653_100000749529 [0,0,0,0,0,2|1,1,0]=4 3870 B13R1.153 COCCC(=O)NCc1cccs1 527a_100000211653_100000749529 [0,0,0,0,0,2|1,1,0]=4 3871 B13R1.153 COCCC(=O)NCc1cnco1 11a_100020634212_100000749529 [0,0,0,0,0,2|2,0,0]=4 3872 B13R1.153 COCCC(=O)NCc1cnco1 240690a_100020634212_100000749529 [0,0,0,0,0,2|2,0,0]=4 3873 B13R1.153 COCCC(=O)NCc1cnco1 527a_100020634212_100000749529 [0,0,0,0,0,2|2,0,0]=4 3874 B13R1.153 COCCC(=O)NCc1ncco1 11a_100016994969_100000749529 [0,0,0,0,0,2|2,0,0]=4 3875 B13R1.153 COCCC(=O)NCc1ncco1 1626a_100016994969_100000749529 [0,0,0,0,0,2|2,0,0]=4 3876 B13R1.153 COCCC(=O)NCc1ncco1 240690a_100016994969_100000749529 [0,0,0,0,0,2|2,0,0]=4 3877 B13R1.153 COCCC(=O)NCc1ncco1 527a_100016994969_100000749529 [0,0,0,0,0,2|2,0,0]=4 3878 B13R1.153 CSCCC(=O)C=Cc1cccs1 1458a_100000182767_100000751147 [0,0,0,0,0,2|1,1,0]=4 3879 B13R1.153 CSCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000751147 [0,0,0,0,0,2|2,0,0]=4 3880 B13R1.153 CSCCC(=O)CCc1ccco1 1458a_100000185103_100000751147 [0,0,0,0,0,2|1,0,0]=3 3881 B13R1.153 CSCCC(=O)CCc1cccs1 1458a_100000174002_100000748579 [0,0,0,0,0,2|1,1,0]=4 3882 B13R1.153 CSCCC(=O)CCc1cccs1 1458a_100000185280_100000751147 [0,0,0,0,0,2|1,1,0]=4 3883 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000174002 [0,0,0,0,0,2|2,0,0]=4 3884 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000174002 [0,0,0,0,0,2|2,0,0]=4 3885 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000174002 [0,0,0,0,0,2|2,0,0]=4 3886 B13R1.153 CSCCC(=O)NCc1ccco1 11a_100000185738_100000174002 [0,0,0,0,0,2|1,0,0]=3 3887 B13R1.153 CSCCC(=O)NCc1ccco1 1626a_100000185738_100000174002 [0,0,0,0,0,2|1,0,0]=3 3888 B13R1.153 CSCCC(=O)NCc1ccco1 240690a_100000185738_100000174002 [0,0,0,0,0,2|1,0,0]=3 3889 B13R1.153 CSCCC(=O)NCc1ccco1 527a_100000185738_100000174002 [0,0,0,0,0,2|1,0,0]=3 3890 B13R1.153 CSCCC(=O)NCc1ccco1 62a_200000210301_200011194439 [0,0,0,0,0,2|1,0,0]=3 3891 B13R1.153 CSCCC(=O)NCc1ccco1 62a_200011194439_200000210301 [0,0,0,0,0,2|1,0,0]=3 3892 B13R1.153 CSCCC(=O)NCc1cccs1 11a_100000211653_100000174002 [0,0,0,0,0,2|1,1,0]=4 3893 B13R1.153 CSCCC(=O)NCc1cccs1 1626a_100000211653_100000174002 [0,0,0,0,0,2|1,1,0]=4 3894 B13R1.153 CSCCC(=O)NCc1cccs1 240690a_100000211653_100000174002 [0,0,0,0,0,2|1,1,0]=4 3895 B13R1.153 CSCCC(=O)NCc1cccs1 527a_100000211653_100000174002 [0,0,0,0,0,2|1,1,0]=4 3896 B13R1.153 CSCCC(=O)NCc1cnco1 11a_100020634212_100000174002 [0,0,0,0,0,2|2,0,0]=4 3897 B13R1.153 CSCCC(=O)NCc1cnco1 240690a_100020634212_100000174002 [0,0,0,0,0,2|2,0,0]=4 3898 B13R1.153 CSCCC(=O)NCc1cnco1 527a_100020634212_100000174002 [0,0,0,0,0,2|2,0,0]=4 3899 B13R1.153 CSCCC(=O)NCc1ncco1 11a_100016994969_100000174002 [0,0,0,0,0,2|2,0,0]=4 3900 B13R1.153 CSCCC(=O)NCc1ncco1 1626a_100016994969_100000174002 [0,0,0,0,0,2|2,0,0]=4 3901 B13R1.153 CSCCC(=O)NCc1ncco1 240690a_100016994969_100000174002 [0,0,0,0,0,2|2,0,0]=4 3902 B13R1.153 CSCCC(=O)NCc1ncco1 527a_100016994969_100000174002 [0,0,0,0,0,2|2,0,0]=4 3903 B13R1.153 N#CCCC(=O)CCc1ccco1 1458a_100000185103_100011215226 [0,0,0,0,0,2|1,0,1]=4 3904 B13R1.153 N#CCCC(=O)NCc1ccco1 11a_100000185738_100011934036 [0,0,0,0,0,2|1,0,1]=4 3905 B13R1.153 N#CCCC(=O)NCc1ccco1 1626a_100000185738_100011934036 [0,0,0,0,0,2|1,0,1]=4 3906 B13R1.153 N#CCCC(=O)NCc1ccco1 240690a_100000185738_100011934036 [0,0,0,0,0,2|1,0,1]=4 3907 B13R1.153 N#CCCC(=O)NCc1ccco1 527a_100000185738_100011934036 [0,0,0,0,0,2|1,0,1]=4 3908 B13R1.153 O=C(C=Cc1cccs1)CCCF 1458a_100000182767_100011934791 [0,0,0,0,0,2|1,1,0]=4 3909 B13R1.153 O=C(C=Cc1cccs1)CCCO 1458a_100000182767_100011215043 [0,0,0,0,0,2|1,1,0]=4 3910 B13R1.153 O=C(CCCF)CCc1ccc[nH]1 1458a_200011998680_100011934791 [0,0,0,0,0,2|2,0,0]=4 3911 B13R1.153 O=C(CCCF)CCc1ccco1 1458a_100000185103_100011934791 [0,0,0,0,0,2|1,0,0]=3 3912 B13R1.153 O=C(CCCF)CCc1cccs1 1458a_100000185280_100011934791 [0,0,0,0,0,2|1,1,0]=4 3913 B13R1.153 O=C(CCCO)CCc1ccc[nH]1 1458a_200011998680_100011215043 [0,0,0,0,0,2|2,0,0]=4 3914 B13R1.153 O=C(CCCO)CCc1ccco1 1458a_100000185103_100011215043 [0,0,0,0,0,2|1,0,0]=3 3915 B13R1.153 O=C(CCCO)CCc1cccs1 1458a_100000185280_100011215043 [0,0,0,0,0,2|1,1,0]=4 3916 B13R1.153 O=C(CCc1ccco1)NCCF 11a_100000724931_100000185103 [0,0,0,0,0,2|2,0,0]=4 3917 B13R1.153 O=C(CCc1ccco1)NCCF 1626a_100000724931_100000185103 [0,0,0,0,0,2|2,0,0]=4 3918 B13R1.153 O=C(CCc1ccco1)NCCF 527a_100000724931_100000185103 [0,0,0,0,0,2|2,0,0]=4 3919 B13R1.153 O=C(CCc1ccco1)NCCO 527a_100000210304_100000185103 [0,0,0,0,0,2|2,0,0]=4 3920 B13R1.153 O=C(CSCF)NCc1ccco1 62a_100000183421_100015361967 [0,0,0,0,0,2|2,0,0]=4 3921 B13R1.153 O=C(CSCF)NCc1ccco1 62a_100015361967_100000183421 [0,0,0,0,0,2|2,0,0]=4 3922 B13R1.153 O=C(NCCF)NCc1ccco1 2708a_100000185738_100000724931 [0,0,0,0,0,2|2,0,0]=4 3923 B13R1.153 O=C(NCCF)NCc1ccco1 273464a_100000185738_100000724931 [0,0,0,0,0,2|2,0,0]=4 3924 B13R1.153 O=C(NCCF)NCc1ccco1 512a_100000185738_100000724931 [0,0,0,0,0,2|2,0,0]=4 3925 B13R1.153 O=C(NCCO)NCc1ccco1 2708a_100000185738_100000210304 [0,0,0,0,0,2|2,0,0]=4 3926 B13R1.153 O=C(NCCO)NCc1ccco1 273464a_100000185738_100000210304 [0,0,0,0,0,2|2,0,0]=4 3927 B13R1.153 O=C(NCCO)NCc1ccco1 512a_100000185738_100000210304 [0,0,0,0,0,2|2,0,0]=4 3928 B13R1.153 [13CH3]SCCC(=O)NCc1ccco1 62a_200011194439_200025704644 [0,0,0,0,0,2|1,0,0]=3 3929 B13R1.153 [13CH3]SCCC(=O)NCc1ccco1 62a_200025704644_200011194439 [0,0,0,0,0,2|1,0,0]=3