0 B12R1.35 C#CCSCC(=O)c1ccc[nH]1 62a_100000038162_200011262396 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.35 C#CCSCC(=O)c1ccco1 62a_100000038162_100000211439 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.35 C#CCSCC(=O)c1cccs1 62a_100000038162_100000211436 [0,0,0,0,0,0|1,1,2]=4 3 B12R1.35 C=CCNCC(=O)c1cccs1 2230a_100020586998_100000211436 [0,0,0,0,0,0|1,1,2]=4 4 B12R1.35 C=CCSCC(=O)c1ccc[nH]1 62a_100000210623_200011262396 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.35 C=CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210623 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.35 C=CCSCC(=O)c1ccco1 62a_100000210623_100000211439 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.35 C=CCSCC(=O)c1ccco1 62a_100000211439_100000210623 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.35 C=CCSCC(=O)c1cccs1 62a_100000210623_100000211436 [0,0,0,0,0,0|1,1,2]=4 9 B12R1.35 C=CCSCC(=O)c1cccs1 62a_100000211436_100000210623 [0,0,0,0,0,0|1,1,2]=4 10 B12R1.35 CC(=NNCCO)c1ccco1 4a_100000210001_100000210965 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.35 CCC=NNC(=O)c1ccc[nH]1 4a_100000018271_100000210100 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.35 CCC=NNC(=O)c1ccco1 4a_100000185077_100000210100 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.35 CCC=NNC(=O)c1cccs1 4a_100000184746_100000210100 [0,0,0,0,0,0|2,1,1]=4 14 B12R1.35 CCC=NNC(=O)c1cnco1 4a_100000081316_100000210100 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.35 CCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210326 [0,0,0,0,0,0|1,0,2]=3 16 B12R1.35 CCCCCC(=O)C1=CCOC1 1458a_100000139269_100000210326 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.35 CCCCCC(=O)C1=COCC1 1458a_100000750620_100000210326 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.35 CCCCCC(=O)C1CC=CC1 1458a_100000759439_100000210326 [0,0,0,0,0,0|1,0,2]=3 19 B12R1.35 CCCCCC(=O)N1CC=CC1 1626a_100015195280_100000212188 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.35 CCCCCC(=O)N1CC=CC1 240690a_100015195280_100000212188 [0,0,0,0,0,0|2,0,1]=3 21 B12R1.35 CCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210326 [0,0,0,0,0,0|0,0,4]=4 22 B12R1.35 CCCCNC(=O)C1=CCCC1 11a_100000102301_100000038896 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.35 CCCCNC(=O)C1=CCCC1 1626a_100000102301_100000038896 [0,0,0,0,0,0|2,0,2]=4 24 B12R1.35 CCCCNC(=O)C1=CCCC1 240690a_100000102301_100000038896 [0,0,0,0,0,0|2,0,2]=4 25 B12R1.35 CCCCNC(=O)C1=CCOC1 11a_100000102301_100000139269 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.35 CCCCNC(=O)C1=CCOC1 1626a_100000102301_100000139269 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.35 CCCCNC(=O)C1=CCOC1 240690a_100000102301_100000139269 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.35 CCCCNC(=O)C1=COCC1 1626a_100000102301_100000750620 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.35 CCCCNC(=O)C1=COCC1 240690a_100000102301_100000750620 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.35 CCCCNC(=O)C1CC=CC1 11a_100000102301_100000759439 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.35 CCCCNC(=O)C1CC=CC1 1626a_100000102301_100000759439 [0,0,0,0,0,0|2,0,2]=4 32 B12R1.35 CCCCNC(=O)C1CC=CC1 240690a_100000102301_100000759439 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.35 CCCCNC(=O)C1CC=CC1 527a_100000102301_100000759439 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.35 CCCCNC(=O)N1CC=CC1 2708a_100000102301_100015195280 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.35 CCCCNC(=O)N1CC=CC1 273464a_100000102301_100015195280 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.35 CCCCNC(C)c1ccc[nH]1 269862a_100000102301_100000183661 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.35 CCCCNC(C)c1cccs1 2230a_100000703493_100000210211 [0,0,0,0,0,0|2,1,1]=4 38 B12R1.35 CCCCNC(C)c1cccs1 269862a_100000102301_100000185736 [0,0,0,0,0,0|2,1,1]=4 39 B12R1.35 CCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210211 [0,0,0,0,0,0|2,0,1]=3 40 B12R1.35 CCCCO[C@@H](C)c1ccco1 34a_100000755270_100000210210 [0,0,0,0,0,0|2,0,1]=3 41 B12R1.35 CCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210211 [0,0,0,0,0,0|2,0,1]=3 42 B12R1.35 CCCCO[C@H](C)c1cccs1 7a_100000750433_100000210211 [0,0,0,0,0,0|2,1,1]=4 43 B12R1.35 CCCNCC(O)c1ccco1 2230a_100000738650_100000210303 [0,0,0,0,0,0|1,0,2]=3 44 B12R1.35 CCCNN=C(C)c1ccc[nH]1 4a_100000740057_100000183661 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.35 CCCNN=C(C)c1ccco1 4a_100000740057_100000210965 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.35 CCCNN=C(C)c1cccs1 4a_100000740057_100000185736 [0,0,0,0,0,0|3,1,0]=4 47 B12R1.35 CCCNN=C(C)c1ccno1 4a_100000740057_100009863766 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.35 CCCOCC(=O)N1CC=CC1 1626a_100015195280_100000745993 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.35 CCCOCC(=O)N1CC=CC1 240690a_100015195280_100000745993 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.35 CCCOCC(=O)c1ccsc1 34a_100000210258_100011219462 [0,0,0,0,0,0|3,0,0]=3 51 B12R1.35 CCCOCC(N)c1cccs1 34a_100102422791_100000210303 [0,0,0,0,0,0|2,1,1]=4 52 B12R1.35 CCCSCC(=O)N1CC=CC1 1626a_100015195280_100000217233 [0,0,0,0,0,0|3,0,1]=4 53 B12R1.35 CCCSCC(=O)N1CC=CC1 240690a_100015195280_100000217233 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_100000210303_200011262396 [0,0,0,0,0,0|2,0,0]=2 55 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210303 [0,0,0,0,0,0|2,0,0]=2 56 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000210303_100000211439 [0,0,0,0,0,0|1,0,0]=1 57 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000211439_100000210303 [0,0,0,0,0,0|1,0,0]=1 58 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000210303_100000211436 [0,0,0,0,0,0|1,1,0]=2 59 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000211436_100000210303 [0,0,0,0,0,0|1,1,0]=2 60 B12R1.35 CCCSCC(=O)c1ccsc1 62a_100000210303_100011219462 [0,0,0,0,0,0|3,0,0]=3 61 B12R1.35 CCCSCC(=O)c1ccsc1 62a_100011219462_100000210303 [0,0,0,0,0,0|3,0,0]=3 62 B12R1.35 CCCSCC(=O)c1nccs1 62a_100000210303_100000718653 [0,0,0,0,0,0|2,1,0]=3 63 B12R1.35 CCCSCC(=O)c1nccs1 62a_100000718653_100000210303 [0,0,0,0,0,0|2,1,0]=3 64 B12R1.35 CCCSCC(=O)n1cccn1 62a_100000077511_100000210303 [0,0,0,0,0,0|3,0,0]=3 65 B12R1.35 CCCSCC(=O)n1cccn1 62a_100000210303_100000077511 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.35 CCNCCC(=O)c1cccs1 2230a_100015525214_100011290775 [0,0,0,0,0,0|1,1,0]=2 67 B12R1.35 CCOCCC(=O)C1=CCCC1 1458a_100000038896_100011215890 [0,0,0,0,0,0|2,0,2]=4 68 B12R1.35 CCOCCC(=O)C1=CCOC1 1458a_100000139269_100011215890 [0,0,0,0,0,0|3,0,1]=4 69 B12R1.35 CCOCCC(=O)C1=COCC1 1458a_100000750620_100011215890 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.35 CCOCCC(=O)C1CC=CC1 1458a_100000759439_100011215890 [0,0,0,0,0,0|2,0,2]=4 71 B12R1.35 CCOCCC(=O)N1CC=CC1 1626a_100015195280_100000749530 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.35 CCOCCC(=O)N1CC=CC1 240690a_100015195280_100000749530 [0,0,0,0,0,0|3,0,1]=4 73 B12R1.35 CCSCCC(=O)C1=CCCC1 1458a_100000038896_100000757381 [0,0,0,0,0,0|2,0,2]=4 74 B12R1.35 CCSCCC(=O)C1=CCOC1 1458a_100000139269_100000757381 [0,0,0,0,0,0|3,0,1]=4 75 B12R1.35 CCSCCC(=O)C1=COCC1 1458a_100000750620_100000757381 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.35 CCSCCC(=O)C1CC=CC1 1458a_100000759439_100000757381 [0,0,0,0,0,0|2,0,2]=4 77 B12R1.35 CCSCCC(=O)N1CC=CC1 1626a_100015195280_100000230768 [0,0,0,0,0,0|3,0,1]=4 78 B12R1.35 CCSCCC(=O)N1CC=CC1 240690a_100015195280_100000230768 [0,0,0,0,0,0|3,0,1]=4 79 B12R1.35 CCSCCC(=O)c1cccs1 62a_100000210202_100011290775 [0,0,0,0,0,0|1,1,0]=2 80 B12R1.35 CCSCCC(=O)c1cccs1 62a_100011290775_100000210202 [0,0,0,0,0,0|1,1,0]=2 81 B12R1.35 CNCCNC(=O)n1cccn1 2230a_106832991635_100000070358 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.35 CNCCNC(=O)n1cccn1 7a_106832991635_100000070358 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.35 COCCCC(=O)C1=CCCC1 1458a_100000038896_100000740836 [0,0,0,0,0,0|2,0,2]=4 84 B12R1.35 COCCCC(=O)C1=CCOC1 1458a_100000139269_100000740836 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.35 COCCCC(=O)C1=COCC1 1458a_100000750620_100000740836 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.35 COCCCC(=O)C1CC=CC1 1458a_100000759439_100000740836 [0,0,0,0,0,0|2,0,2]=4 87 B12R1.35 COCCCC(=O)N1CC=CC1 1626a_100015195280_100000741012 [0,0,0,0,0,0|3,0,1]=4 88 B12R1.35 COCCCC(=O)N1CC=CC1 240690a_100015195280_100000741012 [0,0,0,0,0,0|3,0,1]=4 89 B12R1.35 COCCN[C@H](C)c1ccco1 2230a_100160469435_100011201679 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.35 COCCO[C@@H](C)c1ccco1 34a_100000755270_100011201679 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.35 COCCO[C@@H](C)c1ccco1 7a_100000755270_100000233755 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.35 COCNCC(O)c1ccco1 2230a_100000738650_100000766300 [0,0,0,0,0,0|2,0,2]=4 93 B12R1.35 COCSCC(=O)c1ccc[nH]1 62a_100000766300_200011262396 [0,0,0,0,0,0|3,0,0]=3 94 B12R1.35 COCSCC(=O)c1ccc[nH]1 62a_200011262396_100000766300 [0,0,0,0,0,0|3,0,0]=3 95 B12R1.35 COCSCC(=O)c1ccco1 62a_100000211439_100000766300 [0,0,0,0,0,0|2,0,0]=2 96 B12R1.35 COCSCC(=O)c1ccco1 62a_100000766300_100000211439 [0,0,0,0,0,0|2,0,0]=2 97 B12R1.35 COCSCC(=O)c1cccs1 62a_100000211436_100000766300 [0,0,0,0,0,0|2,1,0]=3 98 B12R1.35 COCSCC(=O)c1cccs1 62a_100000766300_100000211436 [0,0,0,0,0,0|2,1,0]=3 99 B12R1.35 COCSCC(=O)c1ccsc1 62a_100000766300_100011219462 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.35 COCSCC(=O)c1ccsc1 62a_100011219462_100000766300 [0,0,0,0,0,0|4,0,0]=4 101 B12R1.35 COCSCC(=O)c1nccs1 62a_100000718653_100000766300 [0,0,0,0,0,0|3,1,0]=4 102 B12R1.35 COCSCC(=O)c1nccs1 62a_100000766300_100000718653 [0,0,0,0,0,0|3,1,0]=4 103 B12R1.35 COCSCC(=O)n1cccn1 62a_100000077511_100000766300 [0,0,0,0,0,0|4,0,0]=4 104 B12R1.35 COCSCC(=O)n1cccn1 62a_100000766300_100000077511 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.35 CSCCCC(=O)N1CC=CC1 1626a_100015195280_100000173376 [0,0,0,0,0,0|3,0,1]=4 106 B12R1.35 CSCCCC(=O)N1CC=CC1 240690a_100015195280_100000173376 [0,0,0,0,0,0|3,0,1]=4 107 B12R1.35 CSCCNC(=O)n1cccn1 62a_100000070358_200000210301 [0,0,0,0,0,0|4,0,0]=4 108 B12R1.35 CSCCNC(=O)n1cccn1 62a_200000210301_100000070358 [0,0,0,0,0,0|4,0,0]=4 109 B12R1.35 CSCCN[C@H](C)c1ccco1 2230a_100160469435_100000751147 [0,0,0,0,0,0|3,0,1]=4 110 B12R1.35 CSCCO[C@@H](C)c1ccco1 34a_100000755270_100000212216 [0,0,0,0,0,0|3,0,1]=4 111 B12R1.35 CSCCO[C@@H](C)c1ccco1 7a_100000755270_100000212216 [0,0,0,0,0,0|3,0,1]=4 112 B12R1.35 CSCNCC(O)c1ccco1 2230a_100000738650_100011218213 [0,0,0,0,0,0|2,0,2]=4 113 B12R1.35 CSCSCC(=O)c1ccc[nH]1 62a_100011218213_200011262396 [0,0,0,0,0,0|3,0,0]=3 114 B12R1.35 CSCSCC(=O)c1ccc[nH]1 62a_200011262396_100011218213 [0,0,0,0,0,0|3,0,0]=3 115 B12R1.35 CSCSCC(=O)c1ccco1 62a_100000211439_100011218213 [0,0,0,0,0,0|2,0,0]=2 116 B12R1.35 CSCSCC(=O)c1ccco1 62a_100011218213_100000211439 [0,0,0,0,0,0|2,0,0]=2 117 B12R1.35 CSCSCC(=O)c1cccs1 62a_100000211436_100011218213 [0,0,0,0,0,0|2,1,0]=3 118 B12R1.35 CSCSCC(=O)c1cccs1 62a_100011218213_100000211436 [0,0,0,0,0,0|2,1,0]=3 119 B12R1.35 CSCSCC(=O)c1ccsc1 62a_100011218213_100011219462 [0,0,0,0,0,0|4,0,0]=4 120 B12R1.35 CSCSCC(=O)c1ccsc1 62a_100011219462_100011218213 [0,0,0,0,0,0|4,0,0]=4 121 B12R1.35 CSCSCC(=O)c1nccs1 62a_100000718653_100011218213 [0,0,0,0,0,0|3,1,0]=4 122 B12R1.35 CSCSCC(=O)c1nccs1 62a_100011218213_100000718653 [0,0,0,0,0,0|3,1,0]=4 123 B12R1.35 CSCSCC(=O)n1cccn1 62a_100000077511_100011218213 [0,0,0,0,0,0|4,0,0]=4 124 B12R1.35 CSCSCC(=O)n1cccn1 62a_100011218213_100000077511 [0,0,0,0,0,0|4,0,0]=4 125 B12R1.35 C[C@@H](NCCCF)c1ccco1 2230a_100160469435_100011934791 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.35 C[C@@H](NCCCO)c1ccco1 2230a_100160469435_100000230001 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.35 C[C@H](OCCCF)c1ccco1 34a_100000755270_100011934791 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.35 C[C@H](OCCCF)c1ccco1 7a_100000755270_100011934791 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.35 C[C@H](OCCCO)c1ccco1 34a_100000755270_100000230001 [0,0,0,0,0,0|3,0,1]=4 130 B12R1.35 C[C@H](OCCCO)c1ccco1 7a_100000755270_100011215043 [0,0,0,0,0,0|3,0,1]=4 131 B12R1.35 N#CCSCC(=O)c1ccc[nH]1 62a_100011215382_200011262396 [0,0,0,0,0,0|3,0,1]=4 132 B12R1.35 N#CCSCC(=O)c1ccc[nH]1 62a_200011262396_100011215382 [0,0,0,0,0,0|3,0,1]=4 133 B12R1.35 N#CCSCC(=O)c1ccco1 62a_100000211439_100011215382 [0,0,0,0,0,0|2,0,1]=3 134 B12R1.35 N#CCSCC(=O)c1ccco1 62a_100011215382_100000211439 [0,0,0,0,0,0|2,0,1]=3 135 B12R1.35 N#CCSCC(=O)c1cccs1 62a_100000211436_100011215382 [0,0,0,0,0,0|2,1,1]=4 136 B12R1.35 N#CCSCC(=O)c1cccs1 62a_100011215382_100000211436 [0,0,0,0,0,0|2,1,1]=4 137 B12R1.35 NCCOCC(=O)c1ccsc1 34a_100000210304_100011219462 [0,0,0,0,0,0|4,0,0]=4 138 B12R1.35 O=C(CCCCF)C1=CCCC1 1458a_100000038896_100000729493 [0,0,0,0,0,0|2,0,2]=4 139 B12R1.35 O=C(CCCCF)C1=CCOC1 1458a_100000139269_100000729493 [0,0,0,0,0,0|3,0,1]=4 140 B12R1.35 O=C(CCCCF)C1=COCC1 1458a_100000750620_100000729493 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.35 O=C(CCCCF)C1CC=CC1 1458a_100000759439_100000729493 [0,0,0,0,0,0|2,0,2]=4 142 B12R1.35 O=C(CCCCO)C1=CCCC1 1458a_100000038896_100000210776 [0,0,0,0,0,0|2,0,2]=4 143 B12R1.35 O=C(CCCCO)C1=CCOC1 1458a_100000139269_100000210776 [0,0,0,0,0,0|3,0,1]=4 144 B12R1.35 O=C(CCCCO)C1=COCC1 1458a_100000750620_100000210776 [0,0,0,0,0,0|3,0,1]=4 145 B12R1.35 O=C(CCCCO)C1CC=CC1 1458a_100000759439_100000210776 [0,0,0,0,0,0|2,0,2]=4 146 B12R1.35 O=C(CCCCO)N1CC=CC1 1626a_100015195280_100000695505 [0,0,0,0,0,0|3,0,1]=4 147 B12R1.35 O=C(CCSCF)c1cccs1 62a_100011290775_100015361967 [0,0,0,0,0,0|2,1,0]=3 148 B12R1.35 O=C(CCSCF)c1cccs1 62a_100015361967_100011290775 [0,0,0,0,0,0|2,1,0]=3 149 B12R1.35 O=C(CNCCF)c1ccsc1 34a_100000724931_100011219462 [0,0,0,0,0,0|4,0,0]=4 150 B12R1.35 O=C(CNCCO)c1cccs1 2230a_100016997473_100000211436 [0,0,0,0,0,0|2,1,0]=3 151 B12R1.35 O=C(CNCCO)c1ccsc1 2230a_100016997473_100011219462 [0,0,0,0,0,0|4,0,0]=4 152 B12R1.35 O=C(CNCCO)c1ccsc1 34a_100016990907_100011219462 [0,0,0,0,0,0|4,0,0]=4 153 B12R1.35 O=C(CNCCO)n1cccn1 2230a_100016997473_100000077511 [0,0,0,0,0,0|4,0,0]=4 154 B12R1.35 O=C(COCCBr)c1ccsc1 34a_100000211926_100011219462 [0,0,0,0,0,0|4,0,0]=4 155 B12R1.35 O=C(CSCCF)c1ccc[nH]1 62a_100011217306_200011262396 [0,0,0,0,0,0|3,0,0]=3 156 B12R1.35 O=C(CSCCF)c1ccc[nH]1 62a_200011262396_100011217306 [0,0,0,0,0,0|3,0,0]=3 157 B12R1.35 O=C(CSCCF)c1ccco1 62a_100000211439_100011217306 [0,0,0,0,0,0|2,0,0]=2 158 B12R1.35 O=C(CSCCF)c1ccco1 62a_100011217306_100000211439 [0,0,0,0,0,0|2,0,0]=2 159 B12R1.35 O=C(CSCCF)c1cccs1 62a_100000211436_100011217306 [0,0,0,0,0,0|2,1,0]=3 160 B12R1.35 O=C(CSCCF)c1cccs1 62a_100011217306_100000211436 [0,0,0,0,0,0|2,1,0]=3 161 B12R1.35 O=C(CSCCF)c1ccsc1 62a_100011217306_100011219462 [0,0,0,0,0,0|4,0,0]=4 162 B12R1.35 O=C(CSCCF)c1ccsc1 62a_100011219462_100011217306 [0,0,0,0,0,0|4,0,0]=4 163 B12R1.35 O=C(CSCCF)c1nccs1 62a_100000718653_100011217306 [0,0,0,0,0,0|3,1,0]=4 164 B12R1.35 O=C(CSCCF)c1nccs1 62a_100011217306_100000718653 [0,0,0,0,0,0|3,1,0]=4 165 B12R1.35 O=C(CSCCF)n1cccn1 62a_100000077511_100011217306 [0,0,0,0,0,0|4,0,0]=4 166 B12R1.35 O=C(CSCCF)n1cccn1 62a_100011217306_100000077511 [0,0,0,0,0,0|4,0,0]=4 167 B12R1.35 O=C(CSCCO)c1ccc[nH]1 62a_100000211926_200011262396 [0,0,0,0,0,0|3,0,0]=3 168 B12R1.35 O=C(CSCCO)c1ccc[nH]1 62a_200011262396_100000211926 [0,0,0,0,0,0|3,0,0]=3 169 B12R1.35 O=C(CSCCO)c1ccco1 62a_100000211439_100000211926 [0,0,0,0,0,0|2,0,0]=2 170 B12R1.35 O=C(CSCCO)c1ccco1 62a_100000211926_100000211439 [0,0,0,0,0,0|2,0,0]=2 171 B12R1.35 O=C(CSCCO)c1cccs1 62a_100000211436_100000211926 [0,0,0,0,0,0|2,1,0]=3 172 B12R1.35 O=C(CSCCO)c1cccs1 62a_100000211926_100000211436 [0,0,0,0,0,0|2,1,0]=3 173 B12R1.35 O=C(CSCCO)c1ccsc1 62a_100000211926_100011219462 [0,0,0,0,0,0|4,0,0]=4 174 B12R1.35 O=C(CSCCO)c1ccsc1 62a_100011219462_100000211926 [0,0,0,0,0,0|4,0,0]=4 175 B12R1.35 O=C(CSCCO)c1nccs1 62a_100000211926_100000718653 [0,0,0,0,0,0|3,1,0]=4 176 B12R1.35 O=C(CSCCO)c1nccs1 62a_100000718653_100000211926 [0,0,0,0,0,0|3,1,0]=4 177 B12R1.35 O=C(CSCCO)n1cccn1 62a_100000077511_100000211926 [0,0,0,0,0,0|4,0,0]=4 178 B12R1.35 O=C(CSCCO)n1cccn1 62a_100000211926_100000077511 [0,0,0,0,0,0|4,0,0]=4 179 B12R1.35 O=CCSCC(=O)c1ccc[nH]1 62a_200011262396_200015260668 [0,0,0,0,0,0|3,0,1]=4 180 B12R1.35 O=CCSCC(=O)c1ccc[nH]1 62a_200015260668_200011262396 [0,0,0,0,0,0|3,0,1]=4 181 B12R1.35 O=CCSCC(=O)c1ccco1 62a_100000211439_200015260668 [0,0,0,0,0,0|2,0,1]=3 182 B12R1.35 O=CCSCC(=O)c1ccco1 62a_200015260668_100000211439 [0,0,0,0,0,0|2,0,1]=3 183 B12R1.35 O=CCSCC(=O)c1cccs1 62a_100000211436_200015260668 [0,0,0,0,0,0|2,1,1]=4 184 B12R1.35 O=CCSCC(=O)c1cccs1 62a_200015260668_100000211436 [0,0,0,0,0,0|2,1,1]=4 185 B12R1.35 OC(CNCCF)c1ccco1 2230a_100000738650_100011217306 [0,0,0,0,0,0|2,0,2]=4 186 B12R1.35 OCCNCC(O)c1ccco1 2230a_100000738650_100000211926 [0,0,0,0,0,0|2,0,2]=4 187 B12R1.35 [13CH3]SCCNC(=O)n1cccn1 62a_100000070358_200025704644 [0,0,0,0,0,0|4,0,0]=4 188 B12R1.35 [13CH3]SCCNC(=O)n1cccn1 62a_200025704644_100000070358 [0,0,0,0,0,0|4,0,0]=4 189 B11R1.4 C#CCCCSc1ccco1 62a_100009814098_100011215417 [1,0,0,0,0,0|1,0,2]=4 190 B11R1.4 C#CCCCSc1ccco1 62a_100011215417_100009814098 [1,0,0,0,0,0|1,0,2]=4 191 B11R1.4 C=CCCCSc1ccco1 62a_100009814098_100000757094 [1,0,0,0,0,0|1,0,2]=4 192 B11R1.4 C=CCCCSc1ccco1 62a_100011713584_100009814098 [1,0,0,0,0,0|1,0,2]=4 193 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [1,0,0,0,0,0|1,0,2]=4 194 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [1,0,0,0,0,0|1,0,2]=4 195 B11R1.4 CCC#CCSc1ccco1 62a_100009813939_100009814098 [1,0,0,0,0,0|1,0,2]=4 196 B11R1.4 CCC#CCSc1ccco1 62a_100009814098_100009813939 [1,0,0,0,0,0|1,0,2]=4 197 B11R1.4 CCCCC=Cc1c[nH]cn1 271570a_100016275911_100000756875 [1,0,0,0,0,0|2,0,1]=4 198 B11R1.4 CCCCC=Cc1cc[nH]n1 271570a_100016275911_100000062575 [1,0,0,0,0,0|2,0,1]=4 199 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [1,0,0,0,0,0|0,0,1]=2 200 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [1,0,0,0,0,0|0,1,1]=3 201 B11R1.4 CCCCC=Cc1ccoc1 271570a_100016275911_100011215275 [1,0,0,0,0,0|2,0,1]=4 202 B11R1.4 CCCCC=Cc1ccsc1 271570a_100016275911_100000738268 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.4 CCCCC=Cc1ccsn1 271570a_100016275911_100009818082 [1,0,0,0,0,0|2,0,1]=4 204 B11R1.4 CCCCC=Cc1cnco1 271570a_100016275911_100020591547 [1,0,0,0,0,0|1,0,1]=3 205 B11R1.4 CCCCC=Cc1cncs1 271570a_100016275911_100011934649 [1,0,0,0,0,0|1,1,1]=4 206 B11R1.4 CCCCC=Cc1cscn1 271570a_100016275911_100000751502 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.4 CCCCC=Cc1ncc[nH]1 271570a_100016275911_100025796157 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.4 CCCCC=Cc1ncco1 271570a_100016275911_100011787736 [1,0,0,0,0,0|1,0,1]=3 209 B11R1.4 CCCCC=Cc1nccs1 271570a_100016275911_100000211983 [1,0,0,0,0,0|1,1,1]=4 210 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000210326_100000756875 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000756875_100000210326 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000062575_100000210326 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000210326_100000062575 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [1,0,0,0,0,0|1,0,0]=2 217 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [1,0,0,0,0,0|1,0,0]=2 218 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [1,0,0,0,0,0|1,1,0]=3 219 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [1,0,0,0,0,0|1,1,0]=3 220 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.4 CCCCCSc1ccon1 62a_100000210326_100009818083 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.4 CCCCCSc1ccon1 62a_100009818083_100000210326 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.4 CCCCCSc1ccsn1 62a_100000210326_100009818082 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.4 CCCCCSc1ccsn1 62a_100009818082_100000210326 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [1,0,0,0,0,0|2,0,0]=3 229 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [1,0,0,0,0,0|2,0,0]=3 230 B11R1.4 CCCCCSc1cncs1 62a_100000210326_100011934649 [1,0,0,0,0,0|2,1,0]=4 231 B11R1.4 CCCCCSc1cncs1 62a_100011934649_100000210326 [1,0,0,0,0,0|2,1,0]=4 232 B11R1.4 CCCCCSc1cscn1 62a_100000210326_100000751502 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.4 CCCCCSc1cscn1 62a_100000751502_100000210326 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.4 CCCCCSc1ncc[nH]1 62a_100000210326_100025796157 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.4 CCCCCSc1ncc[nH]1 62a_100025796157_100000210326 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [1,0,0,0,0,0|2,0,0]=3 237 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [1,0,0,0,0,0|2,0,0]=3 238 B11R1.4 CCCCCSc1nccs1 62a_100000210326_100000211983 [1,0,0,0,0,0|2,1,0]=4 239 B11R1.4 CCCCCSc1nccs1 62a_100000211983_100000210326 [1,0,0,0,0,0|2,1,0]=4 240 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [1,0,0,0,0,0|1,0,1]=3 241 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [1,0,0,0,0,0|1,0,1]=3 242 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [1,0,0,0,0,0|1,0,1]=3 243 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [1,0,0,0,0,0|1,0,1]=3 244 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [1,0,0,0,0,0|1,1,1]=4 245 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [1,0,0,0,0,0|1,1,1]=4 246 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [1,0,0,0,0,0|1,1,1]=4 247 B11R1.4 CCCCNCc1cnco1 270004a_100000102301_100000064291 [1,0,0,0,0,0|2,0,1]=4 248 B11R1.4 CCCCNCc1ncco1 2230a_100000102301_103436540062 [1,0,0,0,0,0|2,0,1]=4 249 B11R1.4 CCCCNCc1ncco1 2230a_100016994969_100000210211 [1,0,0,0,0,0|2,0,1]=4 250 B11R1.4 CCCCNCc1ncco1 270004a_100000102301_100000064290 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.4 CCCCNCc1ncco1 7a_106832991798_103436540062 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [1,0,0,0,0,0|1,0,1]=3 253 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [1,0,0,0,0,0|1,1,1]=4 254 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [1,0,0,0,0,0|2,0,1]=4 255 B11R1.4 CCCCOCc1ncco1 34a_100000062594_100000210210 [1,0,0,0,0,0|2,0,1]=4 256 B11R1.4 CCCCOCc1ncco1 34a_100000210227_103436540062 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.4 CCCCOCc1ncco1 7a_100000210227_103436540062 [1,0,0,0,0,0|2,0,1]=4 258 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [1,0,0,0,0,0|2,0,1]=4 259 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [1,0,0,0,0,0|2,0,1]=4 260 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [1,0,0,0,0,0|1,0,1]=3 261 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [1,0,0,0,0,0|1,0,1]=3 262 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [1,0,0,0,0,0|1,1,1]=4 263 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [1,0,0,0,0,0|1,1,1]=4 264 B11R1.4 CCCNN=Cc1ccc[nH]1 4a_100000740057_100000211237 [1,0,0,0,0,0|3,0,0]=4 265 B11R1.4 CCCNN=Cc1ccco1 4a_100000740057_100000186105 [1,0,0,0,0,0|2,0,0]=3 266 B11R1.4 CCCNN=Cc1cccs1 4a_100000740057_100000209959 [1,0,0,0,0,0|2,1,0]=4 267 B11R1.4 CCCNN=Cc1cnco1 4a_100000740057_100000064291 [1,0,0,0,0,0|3,0,0]=4 268 B11R1.4 CCCNN=Cc1ncco1 4a_100000740057_100000064290 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [1,0,0,0,0,0|1,1,1]=4 270 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [1,0,0,0,0,0|1,1,1]=4 271 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [1,0,0,0,0,0|1,1,1]=4 272 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [1,0,0,0,0,0|1,1,1]=4 273 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [1,0,0,0,0,0|1,1,1]=4 274 B11R1.4 CCNCC=Cc1ccco1 270004a_100015525214_100000185671 [1,0,0,0,0,0|1,0,1]=3 275 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [1,0,0,0,0,0|1,1,1]=4 276 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [1,0,0,0,0,0|1,1,1]=4 277 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [1,0,0,0,0,0|1,1,1]=4 278 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [1,0,0,0,0,0|1,1,1]=4 279 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [1,0,0,0,0,0|2,0,0]=3 280 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [1,0,0,0,0,0|2,0,0]=3 281 B11R1.4 CCOCCSc1cccs1 62a_100000210147_100011215356 [1,0,0,0,0,0|2,1,0]=4 282 B11R1.4 CCOCCSc1cccs1 62a_100011215356_100011215890 [1,0,0,0,0,0|2,1,0]=4 283 B11R1.4 CCOCCSc1cnco1 62a_100000210147_100020591547 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.4 CCOCCSc1cnco1 62a_100020591547_100011215890 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.4 CCOCCSc1ncco1 62a_100000210147_100011787736 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.4 CCOCCSc1ncco1 62a_100011787736_100011215890 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [1,0,0,0,0,0|1,1,1]=4 288 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [1,0,0,0,0,0|1,1,1]=4 289 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [1,0,0,0,0,0|2,0,0]=3 290 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [1,0,0,0,0,0|2,0,0]=3 291 B11R1.4 CCSCCSc1cccs1 62a_100000757381_100011215356 [1,0,0,0,0,0|2,1,0]=4 292 B11R1.4 CCSCCSc1cccs1 62a_100011215356_100000757381 [1,0,0,0,0,0|2,1,0]=4 293 B11R1.4 CCSCCSc1cnco1 62a_100000757381_100020591547 [1,0,0,0,0,0|3,0,0]=4 294 B11R1.4 CCSCCSc1cnco1 62a_100020591547_100000757381 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.4 CCSCCSc1ncco1 62a_100000757381_100011787736 [1,0,0,0,0,0|3,0,0]=4 296 B11R1.4 CCSCCSc1ncco1 62a_100011787736_100000757381 [1,0,0,0,0,0|3,0,0]=4 297 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [1,0,0,0,0,0|2,0,1]=4 299 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [1,0,0,0,0,0|2,0,0]=3 300 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [1,0,0,0,0,0|2,0,0]=3 301 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [1,0,0,0,0,0|2,1,0]=4 302 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [1,0,0,0,0,0|2,1,0]=4 303 B11R1.4 COCCCSc1cnco1 62a_100000709357_100020591547 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.4 COCCCSc1cnco1 62a_100020591547_100000709357 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.4 COCCCSc1ncco1 62a_100000709357_100011787736 [1,0,0,0,0,0|3,0,0]=4 306 B11R1.4 COCCCSc1ncco1 62a_100011787736_100000709357 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [1,0,0,0,0,0|2,0,1]=4 308 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [1,0,0,0,0,0|2,0,1]=4 309 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [1,0,0,0,0,0|2,0,1]=4 310 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [1,0,0,0,0,0|2,0,1]=4 312 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [1,0,0,0,0,0|2,0,1]=4 313 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [1,0,0,0,0,0|2,0,1]=4 314 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [1,0,0,0,0,0|2,0,1]=4 315 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [1,0,0,0,0,0|2,0,1]=4 316 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [1,0,0,0,0,0|2,0,1]=4 317 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [1,0,0,0,0,0|2,0,1]=4 318 B11R1.4 CSCNCCc1ccco1 2230a_100000694680_100011218213 [1,0,0,0,0,0|2,0,1]=4 319 B11R1.4 CSCNCCc1ccco1 34a_100000694680_100011218213 [1,0,0,0,0,0|2,0,1]=4 320 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [1,0,0,0,0,0|2,0,0]=3 321 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [1,0,0,0,0,0|2,0,0]=3 322 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [1,0,0,0,0,0|2,1,0]=4 323 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [1,0,0,0,0,0|2,1,0]=4 324 B11R1.4 FCCCCSc1cnco1 62a_100000729493_100020591547 [1,0,0,0,0,0|3,0,0]=4 325 B11R1.4 FCCCCSc1cnco1 62a_100020591547_100000729493 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.4 FCCCCSc1ncco1 62a_100000729493_100011787736 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.4 FCCCCSc1ncco1 62a_100011787736_100000729493 [1,0,0,0,0,0|3,0,0]=4 328 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [1,0,0,0,0,0|2,0,1]=4 329 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [1,0,0,0,0,0|2,0,1]=4 330 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [1,0,0,0,0,0|2,0,1]=4 331 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [1,0,0,0,0,0|2,0,1]=4 332 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [1,0,0,0,0,0|2,0,1]=4 333 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [1,0,0,0,0,0|2,0,1]=4 334 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [1,0,0,0,0,0|2,0,1]=4 335 B11R1.4 N#CCCCSc1ccco1 62a_100000687738_100009814098 [1,0,0,0,0,0|2,0,1]=4 336 B11R1.4 N#CCCCSc1ccco1 62a_100009814098_100000687738 [1,0,0,0,0,0|2,0,1]=4 337 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [1,0,0,0,0,0|2,0,1]=4 338 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [1,0,0,0,0,0|2,0,1]=4 339 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [1,0,0,0,0,0|2,0,0]=3 340 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [1,0,0,0,0,0|2,0,0]=3 341 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [1,0,0,0,0,0|2,1,0]=4 342 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [1,0,0,0,0,0|2,1,0]=4 343 B11R1.4 OCCCCSc1cnco1 62a_100000210776_100020591547 [1,0,0,0,0,0|3,0,0]=4 344 B11R1.4 OCCCCSc1cnco1 62a_100020591547_100000210776 [1,0,0,0,0,0|3,0,0]=4 345 B11R1.4 OCCCCSc1ncco1 62a_100000210776_100011787736 [1,0,0,0,0,0|3,0,0]=4 346 B11R1.4 OCCCCSc1ncco1 62a_100011787736_100000210776 [1,0,0,0,0,0|3,0,0]=4 347 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [1,0,0,0,0,0|2,0,1]=4 348 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [1,0,0,0,0,0|2,0,1]=4 349 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [1,0,0,0,0,0|2,0,1]=4 350 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [1,0,0,0,0,0|2,0,1]=4 351 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [1,0,0,0,0,0|2,0,1]=4 352 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [1,0,0,0,0,0|2,0,1]=4 353 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [1,0,0,0,0,0|2,0,1]=4 354 B11R1.4 OCCNN=Cc1ccco1 4a_100000210001_100000186105 [1,0,0,0,0,0|3,0,0]=4 355 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [1,0,0,0,0,0|2,0,1]=4 356 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [1,0,0,0,0,0|2,0,1]=4 357 B11R1.29 CC=NNC(=O)c1ccco1 4a_100000185077_200000210099 [1,0,0,0,0,0|2,0,1]=4 358 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [1,0,0,0,0,0|1,0,2]=4 359 B11R1.29 CCCCC(=O)C1=CCOC1 1458a_100000139269_100000210211 [1,0,0,0,0,0|2,0,1]=4 360 B11R1.29 CCCCC(=O)C1=COCC1 1458a_100000750620_100000210211 [1,0,0,0,0,0|2,0,1]=4 361 B11R1.29 CCCCC(=O)C1CC=CC1 1458a_100000759439_100000210211 [1,0,0,0,0,0|1,0,2]=4 362 B11R1.29 CCCCC(=O)N1CC=CC1 1626a_100015195280_100000210183 [1,0,0,0,0,0|2,0,1]=4 363 B11R1.29 CCCCC(=O)N1CC=CC1 240690a_100015195280_100000210183 [1,0,0,0,0,0|2,0,1]=4 364 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [1,0,0,0,0,0|2,0,1]=4 365 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [1,0,0,0,0,0|2,0,1]=4 366 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [1,0,0,0,0,0|2,0,1]=4 367 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [1,0,0,0,0,0|1,1,0]=3 368 B11R1.29 CCNCC(=O)c1ccsc1 2230a_100015525214_100011219462 [1,0,0,0,0,0|3,0,0]=4 369 B11R1.29 CCNCC(=O)n1cccn1 2230a_100015525214_100000077511 [1,0,0,0,0,0|3,0,0]=4 370 B11R1.29 CCNCC(O)c1ccco1 2230a_100000738650_100000210202 [1,0,0,0,0,0|1,0,2]=4 371 B11R1.29 CCNN=C(C)c1ccco1 4a_100000756455_100000210965 [1,0,0,0,0,0|3,0,0]=4 372 B11R1.29 CCOCC(=O)c1ccsc1 34a_100121572206_100011219462 [1,0,0,0,0,0|3,0,0]=4 373 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [1,0,0,0,0,0|2,0,0]=3 374 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [1,0,0,0,0,0|2,0,0]=3 375 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [1,0,0,0,0,0|1,0,0]=2 376 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [1,0,0,0,0,0|1,0,0]=2 377 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [1,0,0,0,0,0|1,1,0]=3 378 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [1,0,0,0,0,0|1,1,0]=3 379 B11R1.29 CCSCC(=O)c1ccsc1 62a_100000210202_100011219462 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.29 CCSCC(=O)c1ccsc1 62a_100011219462_100000210202 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.29 CCSCC(=O)c1nccs1 62a_100000210202_100000718653 [1,0,0,0,0,0|2,1,0]=4 382 B11R1.29 CCSCC(=O)c1nccs1 62a_100000718653_100000210202 [1,0,0,0,0,0|2,1,0]=4 383 B11R1.29 CCSCC(=O)n1cccn1 62a_100000077511_100000210202 [1,0,0,0,0,0|3,0,0]=4 384 B11R1.29 CCSCC(=O)n1cccn1 62a_100000210202_100000077511 [1,0,0,0,0,0|3,0,0]=4 385 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [1,0,0,0,0,0|1,1,0]=3 386 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [1,0,0,0,0,0|1,1,0]=3 387 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [1,0,0,0,0,0|1,1,0]=3 388 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [1,0,0,0,0,0|1,1,0]=3 389 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_100015361967_200011262396 [1,0,0,0,0,0|3,0,0]=4 390 B11R1.29 O=C(CSCF)c1ccc[nH]1 62a_200011262396_100015361967 [1,0,0,0,0,0|3,0,0]=4 391 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [1,0,0,0,0,0|2,0,0]=3 392 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [1,0,0,0,0,0|2,0,0]=3 393 B11R1.29 O=C(CSCF)c1cccs1 62a_100000211436_100015361967 [1,0,0,0,0,0|2,1,0]=4 394 B11R1.29 O=C(CSCF)c1cccs1 62a_100015361967_100000211436 [1,0,0,0,0,0|2,1,0]=4 395 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [1,0,0,0,0,0|1,1,0]=3 396 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [1,0,0,0,0,0|1,1,0]=3 397 B13R1.23 CCC=NNC(=O)c1ccc(o1)Br 4a_100000186364_100000210100 [0,1,0,0,0,0|2,0,1]=4 398 B13R1.23 CCC=NNC(=O)c1ccc(o1)C 4a_100000189940_100000210100 [0,1,0,0,0,0|2,0,1]=4 399 B13R1.23 CCCCCC(=O)C1CC(=NO1)C 1458a_100000763720_100000210326 [0,1,0,0,0,0|1,0,2]=4 400 B13R1.23 CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210326 [0,1,0,0,0,0|0,0,3]=4 401 B13R1.23 CCCCNC(=O)c1ccc(o1)O 271570a_203496583355_200000159057 [0,1,0,0,0,0|1,0,0]=2 402 B13R1.23 CCCCNC(C)c1ccc(o1)C 269862a_100000102301_100000204583 [0,1,0,0,0,0|2,0,1]=4 403 B13R1.23 CCCNN=C(C)c1ccc(o1)Br 4a_100000740057_100000229899 [0,1,0,0,0,0|3,0,0]=4 404 B13R1.23 CCCNN=C(C)c1ccc(o1)C 4a_100000740057_100000204583 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.23 CCCOCC(=O)c1ccc(s1)C 34a_100000210258_100011262362 [0,1,0,0,0,0|1,1,0]=3 406 B13R1.23 CCCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000210303 [0,1,0,0,0,0|1,1,0]=3 407 B13R1.23 CCCSCC(=O)c1ccc(s1)C 62a_100000210303_100011262362 [0,1,0,0,0,0|1,1,0]=3 408 B13R1.23 CCCSCC(=O)c1ccc(s1)C 62a_100011262362_100000210303 [0,1,0,0,0,0|1,1,0]=3 409 B13R1.23 CCCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000210303 [0,1,0,0,0,0|1,1,0]=3 410 B13R1.23 CCCSCC(=O)c1ccc(s1)Cl 62a_100000210303_100000185135 [0,1,0,0,0,0|1,1,0]=3 411 B13R1.23 CCNCCC(C)c1ccc(o1)C 270004a_100015525214_200000043041 [0,1,0,0,0,0|2,0,1]=4 412 B13R1.23 COCCNC(=O)c1ccc(o1)O 271570a_203496583355_100000157853 [0,1,0,0,0,0|2,0,0]=3 413 B13R1.23 COCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000766300 [0,1,0,0,0,0|2,1,0]=4 414 B13R1.23 COCSCC(=O)c1ccc(s1)C 62a_100000766300_100011262362 [0,1,0,0,0,0|2,1,0]=4 415 B13R1.23 COCSCC(=O)c1ccc(s1)C 62a_100011262362_100000766300 [0,1,0,0,0,0|2,1,0]=4 416 B13R1.23 COCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000766300 [0,1,0,0,0,0|2,1,0]=4 417 B13R1.23 COCSCC(=O)c1ccc(s1)Cl 62a_100000766300_100000185135 [0,1,0,0,0,0|2,1,0]=4 418 B13R1.23 CSCSCC(=O)c1ccc(s1)Br 62a_100000185163_100011218213 [0,1,0,0,0,0|2,1,0]=4 419 B13R1.23 CSCSCC(=O)c1ccc(s1)C 62a_100011218213_100011262362 [0,1,0,0,0,0|2,1,0]=4 420 B13R1.23 CSCSCC(=O)c1ccc(s1)C 62a_100011262362_100011218213 [0,1,0,0,0,0|2,1,0]=4 421 B13R1.23 CSCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100011218213 [0,1,0,0,0,0|2,1,0]=4 422 B13R1.23 CSCSCC(=O)c1ccc(s1)Cl 62a_100011218213_100000185135 [0,1,0,0,0,0|2,1,0]=4 423 B13R1.23 Cc1ccc(s1)C(=O)CNCCF 34a_100000724931_100011262362 [0,1,0,0,0,0|2,1,0]=4 424 B13R1.23 Cc1ccc(s1)C(=O)CNCCO 2230a_100016997473_100011262362 [0,1,0,0,0,0|2,1,0]=4 425 B13R1.23 Cc1ccc(s1)C(=O)CNCCO 34a_100016990907_100011262362 [0,1,0,0,0,0|2,1,0]=4 426 B13R1.23 Cc1ccc(s1)C(=O)COCCBr 34a_100000211926_100011262362 [0,1,0,0,0,0|2,1,0]=4 427 B13R1.23 Cc1ccc(s1)C(=O)COCCN 34a_100000210304_100011262362 [0,1,0,0,0,0|2,1,0]=4 428 B13R1.23 Cc1ccc(s1)C(=O)CSCCF 62a_100011217306_100011262362 [0,1,0,0,0,0|2,1,0]=4 429 B13R1.23 Cc1ccc(s1)C(=O)CSCCF 62a_100011262362_100011217306 [0,1,0,0,0,0|2,1,0]=4 430 B13R1.23 Cc1ccc(s1)C(=O)CSCCO 62a_100000211926_100011262362 [0,1,0,0,0,0|2,1,0]=4 431 B13R1.23 Cc1ccc(s1)C(=O)CSCCO 62a_100011262362_100000211926 [0,1,0,0,0,0|2,1,0]=4 432 B13R1.23 O=C(CNCCO)c1ccc(s1)Br 2230a_100016997473_100000185163 [0,1,0,0,0,0|2,1,0]=4 433 B13R1.23 O=C(CNCCO)c1ccc(s1)Cl 2230a_100016997473_100000185135 [0,1,0,0,0,0|2,1,0]=4 434 B13R1.23 O=C(CSCCF)c1ccc(s1)Br 62a_100000185163_100011217306 [0,1,0,0,0,0|2,1,0]=4 435 B13R1.23 O=C(CSCCF)c1ccc(s1)Cl 62a_100000185135_100011217306 [0,1,0,0,0,0|2,1,0]=4 436 B13R1.23 O=C(CSCCF)c1ccc(s1)Cl 62a_100011217306_100000185135 [0,1,0,0,0,0|2,1,0]=4 437 B13R1.23 O=C(CSCCO)c1ccc(s1)Br 62a_100000185163_100000211926 [0,1,0,0,0,0|2,1,0]=4 438 B13R1.23 O=C(CSCCO)c1ccc(s1)Cl 62a_100000185135_100000211926 [0,1,0,0,0,0|2,1,0]=4 439 B13R1.23 O=C(CSCCO)c1ccc(s1)Cl 62a_100000211926_100000185135 [0,1,0,0,0,0|2,1,0]=4 440 B13R1.33 C#CCC(=O)CC(=O)c1ccco1 1458a_100011220946_100000211439 [0,1,0,0,0,0|0,0,3]=4 441 B13R1.33 C=CCC(=O)CC(=O)c1ccco1 1458a_100000210193_100000211439 [0,1,0,0,0,0|0,0,3]=4 442 B13R1.33 C=CCN(C)CC(=O)c1ccco1 269982a_100000225617_100000211439 [0,1,0,0,0,0|1,0,2]=4 443 B13R1.33 CC#CC(=O)CC(=O)c1ccco1 1458a_100000763181_100000211439 [0,1,0,0,0,0|0,0,3]=4 444 B13R1.33 CC=CC(=O)CC(=O)c1ccco1 1458a_100000210699_100000211439 [0,1,0,0,0,0|0,0,3]=4 445 B13R1.33 CCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000211992_200011262396 [0,1,0,0,0,0|1,0,1]=3 446 B13R1.33 CCCC(=O)CC(=O)c1ccco1 1458a_100000211992_100000211439 [0,1,0,0,0,0|0,0,1]=2 447 B13R1.33 CCCC(=O)CC(=O)c1cccs1 1458a_100000211992_100000211436 [0,1,0,0,0,0|0,1,1]=3 448 B13R1.33 CCCC(=O)CC(=O)c1ccsc1 1458a_100000211992_100011219462 [0,1,0,0,0,0|2,0,1]=4 449 B13R1.33 CCCC(=O)CC(=O)c1nccs1 1458a_100000211992_100000718653 [0,1,0,0,0,0|1,1,1]=4 450 B13R1.33 CCCC(=O)CC(=O)n1cccn1 1458a_100000211992_100000077511 [0,1,0,0,0,0|2,0,1]=4 451 B13R1.33 CCCC(C)CC(=O)C1=CCCC1 1458a_100000038896_100011216630 [0,1,0,0,0,0|1,0,2]=4 452 B13R1.33 CCCC(C)CC(=O)C1=CCOC1 1458a_100000139269_100011216630 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.33 CCCC(C)CC(=O)C1=COCC1 1458a_100000750620_100011216630 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.33 CCCC(C)CC(=O)C1CC=CC1 1458a_100000759439_100011216630 [0,1,0,0,0,0|1,0,2]=4 455 B13R1.33 CCCC(C)CC(=O)N1CC=CC1 1626a_100015195280_100000748435 [0,1,0,0,0,0|2,0,1]=4 456 B13R1.33 CCCC(C)CC(=O)N1CC=CC1 240690a_100015195280_100000748435 [0,1,0,0,0,0|2,0,1]=4 457 B13R1.33 CCCC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000766640 [0,1,0,0,0,0|2,0,1]=4 458 B13R1.33 CCCC(C)N[C@H](C)c1ccco1 270004a_100160469435_100000211909 [0,1,0,0,0,0|2,0,1]=4 459 B13R1.33 CCCC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000766640 [0,1,0,0,0,0|2,0,1]=4 460 B13R1.33 CCCC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000766640 [0,1,0,0,0,0|2,0,1]=4 461 B13R1.33 CCCN(C)CC(=O)c1ccc[nH]1 269982a_100000747261_200011262396 [0,1,0,0,0,0|2,0,0]=3 462 B13R1.33 CCCN(C)CC(=O)c1ccco1 269982a_100000747261_100000211439 [0,1,0,0,0,0|1,0,0]=2 463 B13R1.33 CCCN(C)CC(=O)c1cccs1 2230a_100000747261_100000211436 [0,1,0,0,0,0|1,1,0]=3 464 B13R1.33 CCCN(C)CC(=O)c1cccs1 269982a_100000747261_100000211436 [0,1,0,0,0,0|1,1,0]=3 465 B13R1.33 CCCN(C)CC(=O)c1ccsc1 2230a_100000747261_100011219462 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.33 CCCN(C)CC(=O)c1ccsc1 269982a_100000747261_100011219462 [0,1,0,0,0,0|3,0,0]=4 467 B13R1.33 CCCN(C)CC(=O)c1nccs1 269982a_100000747261_100000718653 [0,1,0,0,0,0|2,1,0]=4 468 B13R1.33 CCCN(C)CC(=O)n1cccn1 2230a_100000747261_100000077511 [0,1,0,0,0,0|3,0,0]=4 469 B13R1.33 CCCN(C)CC(=O)n1cccn1 269982a_100000747261_100000077511 [0,1,0,0,0,0|3,0,0]=4 470 B13R1.33 CN(CCO)CC(=O)c1ccc[nH]1 269982a_100000210263_200011262396 [0,1,0,0,0,0|3,0,0]=4 471 B13R1.33 CN(CCO)CC(=O)c1ccco1 269982a_100000210263_100000211439 [0,1,0,0,0,0|2,0,0]=3 472 B13R1.33 CN(CCO)CC(=O)c1cccs1 2230a_100000210263_100000211436 [0,1,0,0,0,0|2,1,0]=4 473 B13R1.33 CN(CCO)CC(=O)c1cccs1 269982a_100000210263_100000211436 [0,1,0,0,0,0|2,1,0]=4 474 B13R1.33 CNCC(=O)NC(=O)c1ccco1 2230a_106832991635_100000021957 [0,1,0,0,0,0|2,0,1]=4 475 B13R1.33 CNCC(=O)NC(=O)c1ccco1 7a_106832991635_100000021957 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.33 COCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210968_200011262396 [0,1,0,0,0,0|2,0,1]=4 477 B13R1.33 COCC(=O)CC(=O)c1ccco1 1458a_100000210968_100000211439 [0,1,0,0,0,0|1,0,1]=3 478 B13R1.33 COCC(=O)CC(=O)c1cccs1 1458a_100000210968_100000211436 [0,1,0,0,0,0|1,1,1]=4 479 B13R1.33 CSCC(=O)CC(=O)c1ccc[nH]1 1458a_100000184570_200011262396 [0,1,0,0,0,0|2,0,1]=4 480 B13R1.33 CSCC(=O)CC(=O)c1ccco1 1458a_100000184570_100000211439 [0,1,0,0,0,0|1,0,1]=3 481 B13R1.33 CSCC(=O)CC(=O)c1cccs1 1458a_100000184570_100000211436 [0,1,0,0,0,0|1,1,1]=4 482 B13R1.33 CSCC(=O)NC(=O)c1ccco1 62a_200000210301_100000021957 [0,1,0,0,0,0|2,0,1]=4 483 B13R1.33 N#CCC(=O)CC(=O)c1ccco1 1458a_100051588842_100000211439 [0,1,0,0,0,0|1,0,2]=4 484 B13R1.33 O=C(CCO)CC(=O)c1ccc[nH]1 1458a_100011216618_200011262396 [0,1,0,0,0,0|2,0,1]=4 485 B13R1.33 O=C(CCO)CC(=O)c1ccco1 1458a_100011216618_100000211439 [0,1,0,0,0,0|1,0,1]=3 486 B13R1.33 O=C(CCO)CC(=O)c1cccs1 1458a_100011216618_100000211436 [0,1,0,0,0,0|1,1,1]=4 487 B13R1.33 [13CH3]SCC(=O)NC(=O)c1ccco1 62a_200025704644_100000021957 [0,1,0,0,0,0|2,0,1]=4 488 B13R1.48 C#CCCSCC(=O)c1ccc[nH]1 62a_100000688953_200011262396 [0,1,0,0,0,0|1,0,2]=4 489 B13R1.48 C#CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000688953 [0,1,0,0,0,0|1,0,2]=4 490 B13R1.48 C#CCCSCC(=O)c1ccco1 62a_100000211439_100000688953 [0,1,0,0,0,0|0,0,2]=3 491 B13R1.48 C#CCCSCC(=O)c1ccco1 62a_100000688953_100000211439 [0,1,0,0,0,0|0,0,2]=3 492 B13R1.48 C#CCCSCC(=O)c1cccs1 62a_100000211436_100000688953 [0,1,0,0,0,0|0,1,2]=4 493 B13R1.48 C#CCCSCC(=O)c1cccs1 62a_100000688953_100000211436 [0,1,0,0,0,0|0,1,2]=4 494 B13R1.48 C#CCSCCC(=O)c1cccs1 62a_100000038162_100011290775 [0,1,0,0,0,0|0,1,2]=4 495 B13R1.48 C/C=C/CSCC(=O)c1ccc[nH]1 62a_100102629194_200011262396 [0,1,0,0,0,0|1,0,2]=4 496 B13R1.48 C/C=C/CSCC(=O)c1ccc[nH]1 62a_200011262396_100102629194 [0,1,0,0,0,0|1,0,2]=4 497 B13R1.48 C/C=C/CSCC(=O)c1ccco1 62a_100000211439_100102629194 [0,1,0,0,0,0|0,0,2]=3 498 B13R1.48 C/C=C/CSCC(=O)c1ccco1 62a_100102629194_100000211439 [0,1,0,0,0,0|0,0,2]=3 499 B13R1.48 C/C=C/CSCC(=O)c1cccs1 62a_100000211436_100102629194 [0,1,0,0,0,0|0,1,2]=4 500 B13R1.48 C/C=C/CSCC(=O)c1cccs1 62a_100102629194_100000211436 [0,1,0,0,0,0|0,1,2]=4 501 B13R1.48 C=CCCNCC(=O)c1cccs1 2230a_100015191253_100000211436 [0,1,0,0,0,0|0,1,2]=4 502 B13R1.48 C=CCCSCC(=O)c1ccc[nH]1 62a_100000754431_200011262396 [0,1,0,0,0,0|1,0,2]=4 503 B13R1.48 C=CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000754431 [0,1,0,0,0,0|1,0,2]=4 504 B13R1.48 C=CCCSCC(=O)c1ccco1 62a_100000211439_100000754431 [0,1,0,0,0,0|0,0,2]=3 505 B13R1.48 C=CCCSCC(=O)c1ccco1 62a_100000754431_100000211439 [0,1,0,0,0,0|0,0,2]=3 506 B13R1.48 C=CCCSCC(=O)c1cccs1 62a_100000211436_100000754431 [0,1,0,0,0,0|0,1,2]=4 507 B13R1.48 C=CCCSCC(=O)c1cccs1 62a_100000754431_100000211436 [0,1,0,0,0,0|0,1,2]=4 508 B13R1.48 C=CCNCCC(=O)c1cccs1 2230a_100020586998_100011290775 [0,1,0,0,0,0|0,1,2]=4 509 B13R1.48 C=CCSCCC(=O)c1cccs1 62a_100000210623_100011290775 [0,1,0,0,0,0|0,1,2]=4 510 B13R1.48 C=CCSCCC(=O)c1cccs1 62a_100011290775_100000210623 [0,1,0,0,0,0|0,1,2]=4 511 B13R1.48 CC#CCNCC(=O)c1cccs1 2230a_100000685387_100000211436 [0,1,0,0,0,0|0,1,2]=4 512 B13R1.48 CC#CCSCC(=O)c1ccc[nH]1 62a_100000748600_200011262396 [0,1,0,0,0,0|1,0,2]=4 513 B13R1.48 CC#CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000748600 [0,1,0,0,0,0|1,0,2]=4 514 B13R1.48 CC#CCSCC(=O)c1ccco1 62a_100000211439_100000748600 [0,1,0,0,0,0|0,0,2]=3 515 B13R1.48 CC#CCSCC(=O)c1ccco1 62a_100000748600_100000211439 [0,1,0,0,0,0|0,0,2]=3 516 B13R1.48 CC#CCSCC(=O)c1cccs1 62a_100000211436_100000748600 [0,1,0,0,0,0|0,1,2]=4 517 B13R1.48 CC#CCSCC(=O)c1cccs1 62a_100000748600_100000211436 [0,1,0,0,0,0|0,1,2]=4 518 B13R1.48 CC=CCSCC(=O)c1ccc[nH]1 62a_100000070051_200011262396 [0,1,0,0,0,0|1,0,2]=4 519 B13R1.48 CC=CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000070051 [0,1,0,0,0,0|1,0,2]=4 520 B13R1.48 CC=CCSCC(=O)c1ccco1 62a_100000070051_100000211439 [0,1,0,0,0,0|0,0,2]=3 521 B13R1.48 CC=CCSCC(=O)c1ccco1 62a_100000211439_100000070051 [0,1,0,0,0,0|0,0,2]=3 522 B13R1.48 CC=CCSCC(=O)c1cccs1 62a_100000070051_100000211436 [0,1,0,0,0,0|0,1,2]=4 523 B13R1.48 CC=CCSCC(=O)c1cccs1 62a_100000211436_100000070051 [0,1,0,0,0,0|0,1,2]=4 524 B13R1.48 CCCC=NNC(=O)c1ccc[nH]1 4a_100000018271_100000185831 [0,1,0,0,0,0|2,0,1]=4 525 B13R1.48 CCCC=NNC(=O)c1ccco1 4a_100000185077_100000185831 [0,1,0,0,0,0|1,0,1]=3 526 B13R1.48 CCCC=NNC(=O)c1cccs1 4a_100000184746_100000185831 [0,1,0,0,0,0|1,1,1]=4 527 B13R1.48 CCCC=NNC(=O)c1cnco1 4a_100000081316_100000185831 [0,1,0,0,0,0|2,0,1]=4 528 B13R1.48 CCCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210757 [0,1,0,0,0,0|1,0,2]=4 529 B13R1.48 CCCCCCC(=O)C1=CCOC1 1458a_100000139269_100000210757 [0,1,0,0,0,0|2,0,1]=4 530 B13R1.48 CCCCCCC(=O)C1=COCC1 1458a_100000750620_100000210757 [0,1,0,0,0,0|2,0,1]=4 531 B13R1.48 CCCCCCC(=O)C1CC=CC1 1458a_100000759439_100000210757 [0,1,0,0,0,0|1,0,2]=4 532 B13R1.48 CCCCCCC(=O)N1CC=CC1 1626a_100015195280_100102632555 [0,1,0,0,0,0|2,0,1]=4 533 B13R1.48 CCCCCCC(=O)N1CC=CC1 240690a_100015195280_100102632555 [0,1,0,0,0,0|2,0,1]=4 534 B13R1.48 CCCCCNC(=O)C1=CCCC1 11a_100000209983_100000038896 [0,1,0,0,0,0|1,0,2]=4 535 B13R1.48 CCCCCNC(=O)C1=CCCC1 1626a_100000209983_100000038896 [0,1,0,0,0,0|1,0,2]=4 536 B13R1.48 CCCCCNC(=O)C1=CCCC1 240690a_100000209983_100000038896 [0,1,0,0,0,0|1,0,2]=4 537 B13R1.48 CCCCCNC(=O)C1=CCOC1 11a_100000209983_100000139269 [0,1,0,0,0,0|2,0,1]=4 538 B13R1.48 CCCCCNC(=O)C1=CCOC1 1626a_100000209983_100000139269 [0,1,0,0,0,0|2,0,1]=4 539 B13R1.48 CCCCCNC(=O)C1=CCOC1 240690a_100000209983_100000139269 [0,1,0,0,0,0|2,0,1]=4 540 B13R1.48 CCCCCNC(=O)C1=COCC1 1626a_100000209983_100000750620 [0,1,0,0,0,0|2,0,1]=4 541 B13R1.48 CCCCCNC(=O)C1=COCC1 240690a_100000209983_100000750620 [0,1,0,0,0,0|2,0,1]=4 542 B13R1.48 CCCCCNC(=O)C1CC=CC1 11a_100000209983_100000759439 [0,1,0,0,0,0|1,0,2]=4 543 B13R1.48 CCCCCNC(=O)C1CC=CC1 1626a_100000209983_100000759439 [0,1,0,0,0,0|1,0,2]=4 544 B13R1.48 CCCCCNC(=O)C1CC=CC1 240690a_100000209983_100000759439 [0,1,0,0,0,0|1,0,2]=4 545 B13R1.48 CCCCCNC(=O)C1CC=CC1 527a_100000209983_100000759439 [0,1,0,0,0,0|1,0,2]=4 546 B13R1.48 CCCCCNC(=O)N1CC=CC1 2708a_100000209983_100015195280 [0,1,0,0,0,0|2,0,1]=4 547 B13R1.48 CCCCCNC(=O)N1CC=CC1 273464a_100000209983_100015195280 [0,1,0,0,0,0|2,0,1]=4 548 B13R1.48 CCCCCNC(C)c1ccc[nH]1 269862a_100000209983_100000183661 [0,1,0,0,0,0|2,0,1]=4 549 B13R1.48 CCCCCNC(C)c1cccs1 2230a_100000703493_100000210326 [0,1,0,0,0,0|1,1,1]=4 550 B13R1.48 CCCCCNC(C)c1cccs1 269862a_100000209983_100000185736 [0,1,0,0,0,0|1,1,1]=4 551 B13R1.48 CCCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210326 [0,1,0,0,0,0|1,0,1]=3 552 B13R1.48 CCCCCO[C@@H](C)c1ccco1 34a_100000755270_100000718602 [0,1,0,0,0,0|1,0,1]=3 553 B13R1.48 CCCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210326 [0,1,0,0,0,0|1,0,1]=3 554 B13R1.48 CCCCCO[C@H](C)c1cccs1 7a_100000750433_100000210326 [0,1,0,0,0,0|1,1,1]=4 555 B13R1.48 CCCCNCC(=O)c1ccc[nH]1 7a_106832991798_200011262396 [0,1,0,0,0,0|1,0,0]=2 556 B13R1.48 CCCCNCC(=O)c1ccco1 7a_106832991798_100000211439 [0,1,0,0,0,0|0,0,0]=1 557 B13R1.48 CCCCNCC(=O)c1cccs1 2230a_100000102301_100000211436 [0,1,0,0,0,0|0,1,0]=2 558 B13R1.48 CCCCNCC(=O)c1cccs1 7a_106832991798_100000211436 [0,1,0,0,0,0|0,1,0]=2 559 B13R1.48 CCCCNCC(=O)c1ccsc1 2230a_100000102301_100011219462 [0,1,0,0,0,0|2,0,0]=3 560 B13R1.48 CCCCNCC(=O)c1ccsc1 7a_106832991798_100011219462 [0,1,0,0,0,0|2,0,0]=3 561 B13R1.48 CCCCNCC(=O)c1nccs1 7a_106832991798_100000718653 [0,1,0,0,0,0|1,1,0]=3 562 B13R1.48 CCCCNCC(=O)n1cccn1 2230a_100000102301_100000077511 [0,1,0,0,0,0|2,0,0]=3 563 B13R1.48 CCCCNCC(=O)n1cccn1 7a_106832991798_100000077511 [0,1,0,0,0,0|2,0,0]=3 564 B13R1.48 CCCCNCC(O)c1ccco1 2230a_100000738650_100000210211 [0,1,0,0,0,0|0,0,2]=3 565 B13R1.48 CCCCNN=C(C)c1ccc[nH]1 4a_100025702795_100000183661 [0,1,0,0,0,0|3,0,0]=4 566 B13R1.48 CCCCNN=C(C)c1ccco1 4a_100025702795_100000210965 [0,1,0,0,0,0|2,0,0]=3 567 B13R1.48 CCCCNN=C(C)c1cccs1 4a_100025702795_100000185736 [0,1,0,0,0,0|2,1,0]=4 568 B13R1.48 CCCCNN=C(C)c1ccno1 4a_100025702795_100009863766 [0,1,0,0,0,0|3,0,0]=4 569 B13R1.48 CCCCOCC(=O)C1=CCCC1 1458a_100000038896_100011995733 [0,1,0,0,0,0|1,0,2]=4 570 B13R1.48 CCCCOCC(=O)C1=CCOC1 1458a_100000139269_100011995733 [0,1,0,0,0,0|2,0,1]=4 571 B13R1.48 CCCCOCC(=O)C1=COCC1 1458a_100000750620_100011995733 [0,1,0,0,0,0|2,0,1]=4 572 B13R1.48 CCCCOCC(=O)C1CC=CC1 1458a_100000759439_100011995733 [0,1,0,0,0,0|1,0,2]=4 573 B13R1.48 CCCCOCC(=O)N1CC=CC1 1626a_100015195280_100000757543 [0,1,0,0,0,0|2,0,1]=4 574 B13R1.48 CCCCOCC(=O)N1CC=CC1 240690a_100015195280_100000757543 [0,1,0,0,0,0|2,0,1]=4 575 B13R1.48 CCCCOCC(=O)c1ccc[nH]1 7a_100000210227_200011262396 [0,1,0,0,0,0|1,0,0]=2 576 B13R1.48 CCCCOCC(=O)c1ccco1 7a_100000210227_100000211439 [0,1,0,0,0,0|0,0,0]=1 577 B13R1.48 CCCCOCC(=O)c1cccs1 7a_100000210227_100000211436 [0,1,0,0,0,0|0,1,0]=2 578 B13R1.48 CCCCOCC(=O)c1ccsc1 34a_100000210227_100011219462 [0,1,0,0,0,0|2,0,0]=3 579 B13R1.48 CCCCOCC(=O)c1ccsc1 7a_100000210227_100011219462 [0,1,0,0,0,0|2,0,0]=3 580 B13R1.48 CCCCOCC(=O)c1nccs1 7a_100000210227_100000718653 [0,1,0,0,0,0|1,1,0]=3 581 B13R1.48 CCCCOCC(=O)n1cccn1 7a_100000210227_100000077511 [0,1,0,0,0,0|2,0,0]=3 582 B13R1.48 CCCCOCC(N)c1cccs1 34a_100102422791_100000210210 [0,1,0,0,0,0|1,1,1]=4 583 B13R1.48 CCCCSCC(=O)N1CC=CC1 1626a_100015195280_100000191162 [0,1,0,0,0,0|2,0,1]=4 584 B13R1.48 CCCCSCC(=O)N1CC=CC1 240690a_100015195280_100000191162 [0,1,0,0,0,0|2,0,1]=4 585 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_100000210211_200011262396 [0,1,0,0,0,0|1,0,0]=2 586 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210210 [0,1,0,0,0,0|1,0,0]=2 587 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000210211_100000211439 [0,1,0,0,0,0|0,0,0]=1 588 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000211439_100000210210 [0,1,0,0,0,0|0,0,0]=1 589 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000210211_100000211436 [0,1,0,0,0,0|0,1,0]=2 590 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000211436_100000210210 [0,1,0,0,0,0|0,1,0]=2 591 B13R1.48 CCCCSCC(=O)c1ccsc1 62a_100000210211_100011219462 [0,1,0,0,0,0|2,0,0]=3 592 B13R1.48 CCCCSCC(=O)c1ccsc1 62a_100011219462_100000210210 [0,1,0,0,0,0|2,0,0]=3 593 B13R1.48 CCCCSCC(=O)c1nccs1 62a_100000210211_100000718653 [0,1,0,0,0,0|1,1,0]=3 594 B13R1.48 CCCCSCC(=O)c1nccs1 62a_100000718653_100000210210 [0,1,0,0,0,0|1,1,0]=3 595 B13R1.48 CCCCSCC(=O)n1cccn1 62a_100000077511_100000210210 [0,1,0,0,0,0|2,0,0]=3 596 B13R1.48 CCCCSCC(=O)n1cccn1 62a_100000210211_100000077511 [0,1,0,0,0,0|2,0,0]=3 597 B13R1.48 CCCOCCC(=O)C1=CCCC1 1458a_100000038896_100011215938 [0,1,0,0,0,0|1,0,2]=4 598 B13R1.48 CCCOCCC(=O)C1=CCOC1 1458a_100000139269_100011215938 [0,1,0,0,0,0|2,0,1]=4 599 B13R1.48 CCCOCCC(=O)C1=COCC1 1458a_100000750620_100011215938 [0,1,0,0,0,0|2,0,1]=4 600 B13R1.48 CCCOCCC(=O)C1CC=CC1 1458a_100000759439_100011215938 [0,1,0,0,0,0|1,0,2]=4 601 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100000210303_100011290775 [0,1,0,0,0,0|0,1,0]=2 602 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100011290775_100000210303 [0,1,0,0,0,0|0,1,0]=2 603 B13R1.48 CCNCCNC(=O)n1cccn1 2230a_100015525214_100000070358 [0,1,0,0,0,0|3,0,0]=4 604 B13R1.48 CCOCCCC(=O)C1=CCCC1 1458a_100000038896_100012232248 [0,1,0,0,0,0|1,0,2]=4 605 B13R1.48 CCOCCCC(=O)C1=CCOC1 1458a_100000139269_100012232248 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.48 CCOCCCC(=O)C1=COCC1 1458a_100000750620_100012232248 [0,1,0,0,0,0|2,0,1]=4 607 B13R1.48 CCOCCCC(=O)C1CC=CC1 1458a_100000759439_100012232248 [0,1,0,0,0,0|1,0,2]=4 608 B13R1.48 CCOCCN[C@H](C)c1ccco1 2230a_100160469435_100011215890 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.48 CCOCCO[C@@H](C)c1ccco1 34a_100000755270_100000210147 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.48 CCOCCO[C@@H](C)c1ccco1 7a_100000755270_100011215890 [0,1,0,0,0,0|2,0,1]=4 611 B13R1.48 CCOCSCC(=O)c1ccc[nH]1 62a_100000739092_200011262396 [0,1,0,0,0,0|2,0,0]=3 612 B13R1.48 CCOCSCC(=O)c1ccc[nH]1 62a_200011262396_100000739092 [0,1,0,0,0,0|2,0,0]=3 613 B13R1.48 CCOCSCC(=O)c1ccco1 62a_100000211439_100000739092 [0,1,0,0,0,0|1,0,0]=2 614 B13R1.48 CCOCSCC(=O)c1ccco1 62a_100000739092_100000211439 [0,1,0,0,0,0|1,0,0]=2 615 B13R1.48 CCOCSCC(=O)c1cccs1 62a_100000211436_100000739092 [0,1,0,0,0,0|1,1,0]=3 616 B13R1.48 CCOCSCC(=O)c1cccs1 62a_100000739092_100000211436 [0,1,0,0,0,0|1,1,0]=3 617 B13R1.48 CCOCSCC(=O)c1ccsc1 62a_100000739092_100011219462 [0,1,0,0,0,0|3,0,0]=4 618 B13R1.48 CCOCSCC(=O)c1ccsc1 62a_100011219462_100000739092 [0,1,0,0,0,0|3,0,0]=4 619 B13R1.48 CCOCSCC(=O)c1nccs1 62a_100000718653_100000739092 [0,1,0,0,0,0|2,1,0]=4 620 B13R1.48 CCOCSCC(=O)c1nccs1 62a_100000739092_100000718653 [0,1,0,0,0,0|2,1,0]=4 621 B13R1.48 CCOCSCC(=O)n1cccn1 62a_100000077511_100000739092 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.48 CCOCSCC(=O)n1cccn1 62a_100000739092_100000077511 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.48 CCSCCNC(=O)n1cccn1 62a_100000070358_100000210202 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.48 CCSCCNC(=O)n1cccn1 62a_100000210202_100000070358 [0,1,0,0,0,0|3,0,0]=4 625 B13R1.48 CCSCCN[C@H](C)c1ccco1 2230a_100160469435_100000757381 [0,1,0,0,0,0|2,0,1]=4 626 B13R1.48 CCSCCO[C@@H](C)c1ccco1 34a_100000755270_100000757381 [0,1,0,0,0,0|2,0,1]=4 627 B13R1.48 CCSCCO[C@@H](C)c1ccco1 7a_100000755270_100000757381 [0,1,0,0,0,0|2,0,1]=4 628 B13R1.48 CNCCCNC(=O)c1ccco1 34a_100025751042_200000210301 [0,1,0,0,0,0|1,0,0]=2 629 B13R1.48 COCCCCC(=O)C1=CCCC1 1458a_100000038896_100000755781 [0,1,0,0,0,0|1,0,2]=4 630 B13R1.48 COCCCCC(=O)C1=CCOC1 1458a_100000139269_100000755781 [0,1,0,0,0,0|2,0,1]=4 631 B13R1.48 COCCCCC(=O)C1=COCC1 1458a_100000750620_100000755781 [0,1,0,0,0,0|2,0,1]=4 632 B13R1.48 COCCCCC(=O)C1CC=CC1 1458a_100000759439_100000755781 [0,1,0,0,0,0|1,0,2]=4 633 B13R1.48 COCCCN[C@H](C)c1ccco1 2230a_100160469435_100000740836 [0,1,0,0,0,0|2,0,1]=4 634 B13R1.48 COCCCO[C@@H](C)c1ccco1 34a_100000755270_100000740836 [0,1,0,0,0,0|2,0,1]=4 635 B13R1.48 COCCCO[C@@H](C)c1ccco1 7a_100000755270_100000740836 [0,1,0,0,0,0|2,0,1]=4 636 B13R1.48 COCCNCC(=O)c1cccs1 2230a_100000209980_100000211436 [0,1,0,0,0,0|1,1,0]=3 637 B13R1.48 COCCNCC(=O)c1ccsc1 2230a_100000209980_100011219462 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.48 COCCNCC(=O)n1cccn1 2230a_100000209980_100000077511 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.48 COCCNCC(O)c1ccco1 2230a_100000738650_100011201679 [0,1,0,0,0,0|1,0,2]=4 640 B13R1.48 COCCOCC(=O)c1ccsc1 34a_100000210237_100011219462 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.48 COCCSCC(=O)c1ccc[nH]1 62a_100000233755_200011262396 [0,1,0,0,0,0|2,0,0]=3 642 B13R1.48 COCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000233755 [0,1,0,0,0,0|2,0,0]=3 643 B13R1.48 COCCSCC(=O)c1ccco1 62a_100000211439_100000233755 [0,1,0,0,0,0|1,0,0]=2 644 B13R1.48 COCCSCC(=O)c1ccco1 62a_100000233755_100000211439 [0,1,0,0,0,0|1,0,0]=2 645 B13R1.48 COCCSCC(=O)c1cccs1 62a_100000211436_100000233755 [0,1,0,0,0,0|1,1,0]=3 646 B13R1.48 COCCSCC(=O)c1cccs1 62a_100000233755_100000211436 [0,1,0,0,0,0|1,1,0]=3 647 B13R1.48 COCCSCC(=O)c1ccsc1 62a_100000233755_100011219462 [0,1,0,0,0,0|3,0,0]=4 648 B13R1.48 COCCSCC(=O)c1ccsc1 62a_100011219462_100000233755 [0,1,0,0,0,0|3,0,0]=4 649 B13R1.48 COCCSCC(=O)c1nccs1 62a_100000233755_100000718653 [0,1,0,0,0,0|2,1,0]=4 650 B13R1.48 COCCSCC(=O)c1nccs1 62a_100000718653_100000233755 [0,1,0,0,0,0|2,1,0]=4 651 B13R1.48 COCCSCC(=O)n1cccn1 62a_100000077511_100000233755 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.48 COCCSCC(=O)n1cccn1 62a_100000233755_100000077511 [0,1,0,0,0,0|3,0,0]=4 653 B13R1.48 COCSCCC(=O)c1cccs1 62a_100000766300_100011290775 [0,1,0,0,0,0|1,1,0]=3 654 B13R1.48 COCSCCC(=O)c1cccs1 62a_100011290775_100000766300 [0,1,0,0,0,0|1,1,0]=3 655 B13R1.48 CSCCNCC(=O)c1cccs1 2230a_100020590264_100000211436 [0,1,0,0,0,0|1,1,0]=3 656 B13R1.48 CSCCNCC(=O)c1ccsc1 2230a_100020590264_100011219462 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.48 CSCCNCC(=O)n1cccn1 2230a_100020590264_100000077511 [0,1,0,0,0,0|3,0,0]=4 658 B13R1.48 CSCCNCC(O)c1ccco1 2230a_100000738650_100000751147 [0,1,0,0,0,0|1,0,2]=4 659 B13R1.48 CSCCOCC(=O)c1ccc[nH]1 7a_100000230434_200011262396 [0,1,0,0,0,0|2,0,0]=3 660 B13R1.48 CSCCOCC(=O)c1ccco1 7a_100000230434_100000211439 [0,1,0,0,0,0|1,0,0]=2 661 B13R1.48 CSCCOCC(=O)c1cccs1 7a_100000230434_100000211436 [0,1,0,0,0,0|1,1,0]=3 662 B13R1.48 CSCCOCC(=O)c1ccsc1 34a_100000230434_100011219462 [0,1,0,0,0,0|3,0,0]=4 663 B13R1.48 CSCCOCC(=O)c1ccsc1 7a_100000230434_100011219462 [0,1,0,0,0,0|3,0,0]=4 664 B13R1.48 CSCCOCC(=O)c1nccs1 7a_100000230434_100000718653 [0,1,0,0,0,0|2,1,0]=4 665 B13R1.48 CSCCOCC(=O)n1cccn1 7a_100000230434_100000077511 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.48 CSCCSCC(=O)c1ccc[nH]1 62a_100000212216_200011262396 [0,1,0,0,0,0|2,0,0]=3 667 B13R1.48 CSCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000751147 [0,1,0,0,0,0|2,0,0]=3 668 B13R1.48 CSCCSCC(=O)c1ccco1 62a_100000211439_100000751147 [0,1,0,0,0,0|1,0,0]=2 669 B13R1.48 CSCCSCC(=O)c1ccco1 62a_100000212216_100000211439 [0,1,0,0,0,0|1,0,0]=2 670 B13R1.48 CSCCSCC(=O)c1cccs1 62a_100000211436_100000751147 [0,1,0,0,0,0|1,1,0]=3 671 B13R1.48 CSCCSCC(=O)c1cccs1 62a_100000212216_100000211436 [0,1,0,0,0,0|1,1,0]=3 672 B13R1.48 CSCCSCC(=O)c1ccsc1 62a_100000212216_100011219462 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.48 CSCCSCC(=O)c1ccsc1 62a_100011219462_100000751147 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.48 CSCCSCC(=O)c1nccs1 62a_100000212216_100000718653 [0,1,0,0,0,0|2,1,0]=4 675 B13R1.48 CSCCSCC(=O)c1nccs1 62a_100000718653_100000751147 [0,1,0,0,0,0|2,1,0]=4 676 B13R1.48 CSCCSCC(=O)n1cccn1 62a_100000077511_100000751147 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.48 CSCCSCC(=O)n1cccn1 62a_100000212216_100000077511 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.48 CSCSCCC(=O)c1cccs1 62a_100011218213_100011290775 [0,1,0,0,0,0|1,1,0]=3 679 B13R1.48 CSCSCCC(=O)c1cccs1 62a_100011290775_100011218213 [0,1,0,0,0,0|1,1,0]=3 680 B13R1.48 C[C@@H](NCCCCF)c1ccco1 2230a_100160469435_100000729493 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.48 C[C@@H](NCCCCO)c1ccco1 2230a_100160469435_100000210776 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.48 C[C@H](OCCCCF)c1ccco1 34a_100000755270_100000729493 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.48 C[C@H](OCCCCF)c1ccco1 7a_100000755270_100000729493 [0,1,0,0,0,0|2,0,1]=4 684 B13R1.48 C[C@H](OCCCCO)c1ccco1 34a_100000755270_100011216708 [0,1,0,0,0,0|2,0,1]=4 685 B13R1.48 C[C@H](OCCCCO)c1ccco1 7a_100000755270_100000210776 [0,1,0,0,0,0|2,0,1]=4 686 B13R1.48 N#CCCSCC(=O)c1ccc[nH]1 62a_100011215226_200011262396 [0,1,0,0,0,0|2,0,1]=4 687 B13R1.48 N#CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100011215226 [0,1,0,0,0,0|2,0,1]=4 688 B13R1.48 N#CCCSCC(=O)c1ccco1 62a_100000211439_100011215226 [0,1,0,0,0,0|1,0,1]=3 689 B13R1.48 N#CCCSCC(=O)c1ccco1 62a_100011215226_100000211439 [0,1,0,0,0,0|1,0,1]=3 690 B13R1.48 N#CCCSCC(=O)c1cccs1 62a_100000211436_100011215226 [0,1,0,0,0,0|1,1,1]=4 691 B13R1.48 N#CCCSCC(=O)c1cccs1 62a_100011215226_100000211436 [0,1,0,0,0,0|1,1,1]=4 692 B13R1.48 N#CCSCCC(=O)c1cccs1 62a_100011215382_100011290775 [0,1,0,0,0,0|1,1,1]=4 693 B13R1.48 N#CCSCCC(=O)c1cccs1 62a_100011290775_100011215382 [0,1,0,0,0,0|1,1,1]=4 694 B13R1.48 N#CSCSCC(=O)c1ccco1 62a_100000211439_100000211825 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.48 N#CSCSCC(=O)c1ccco1 62a_100000211825_100000211439 [0,1,0,0,0,0|2,0,1]=4 696 B13R1.48 NCCCOCC(=O)c1ccsc1 34a_100000182051_100011219462 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.48 O=C(CCCCCF)C1=CCCC1 1458a_100000038896_100000729378 [0,1,0,0,0,0|1,0,2]=4 698 B13R1.48 O=C(CCCCCF)C1=CCOC1 1458a_100000139269_100000729378 [0,1,0,0,0,0|2,0,1]=4 699 B13R1.48 O=C(CCCCCF)C1=COCC1 1458a_100000750620_100000729378 [0,1,0,0,0,0|2,0,1]=4 700 B13R1.48 O=C(CCCCCF)C1CC=CC1 1458a_100000759439_100000729378 [0,1,0,0,0,0|1,0,2]=4 701 B13R1.48 O=C(CCCCCO)C1=CCCC1 1458a_100000038896_100000746330 [0,1,0,0,0,0|1,0,2]=4 702 B13R1.48 O=C(CCCCCO)C1=CCOC1 1458a_100000139269_100000746330 [0,1,0,0,0,0|2,0,1]=4 703 B13R1.48 O=C(CCCCCO)C1=COCC1 1458a_100000750620_100000746330 [0,1,0,0,0,0|2,0,1]=4 704 B13R1.48 O=C(CCCCCO)C1CC=CC1 1458a_100000759439_100000746330 [0,1,0,0,0,0|1,0,2]=4 705 B13R1.48 O=C(CCCCCO)N1CC=CC1 240690a_100015195280_100102619762 [0,1,0,0,0,0|2,0,1]=4 706 B13R1.48 O=C(CCNCCO)c1cccs1 2230a_100016997473_100011290775 [0,1,0,0,0,0|1,1,0]=3 707 B13R1.48 O=C(CCSCCF)c1cccs1 62a_100011217306_100011290775 [0,1,0,0,0,0|1,1,0]=3 708 B13R1.48 O=C(CCSCCF)c1cccs1 62a_100011290775_100011217306 [0,1,0,0,0,0|1,1,0]=3 709 B13R1.48 O=C(CCSCCO)c1cccs1 62a_100000211926_100011290775 [0,1,0,0,0,0|1,1,0]=3 710 B13R1.48 O=C(CCSCCO)c1cccs1 62a_100011290775_100000211926 [0,1,0,0,0,0|1,1,0]=3 711 B13R1.48 O=C(CNCCCF)c1cccs1 2230a_100015189416_100000211436 [0,1,0,0,0,0|1,1,0]=3 712 B13R1.48 O=C(CNCCCF)c1ccsc1 2230a_100015189416_100011219462 [0,1,0,0,0,0|3,0,0]=4 713 B13R1.48 O=C(CNCCCF)c1ccsc1 34a_100015189416_100011219462 [0,1,0,0,0,0|3,0,0]=4 714 B13R1.48 O=C(CNCCCF)n1cccn1 2230a_100015189416_100000077511 [0,1,0,0,0,0|3,0,0]=4 715 B13R1.48 O=C(COCCCBr)c1ccsc1 34a_100011217188_100011219462 [0,1,0,0,0,0|3,0,0]=4 716 B13R1.48 O=C(COCCCCl)c1ccsc1 34a_100000230001_100011219462 [0,1,0,0,0,0|3,0,0]=4 717 B13R1.48 O=C(COCCCF)c1ccsc1 34a_100000759539_100011219462 [0,1,0,0,0,0|3,0,0]=4 718 B13R1.48 O=C(CSCCCF)c1ccc[nH]1 62a_100011934791_200011262396 [0,1,0,0,0,0|2,0,0]=3 719 B13R1.48 O=C(CSCCCF)c1ccc[nH]1 62a_200011262396_100011934791 [0,1,0,0,0,0|2,0,0]=3 720 B13R1.48 O=C(CSCCCF)c1ccco1 62a_100000211439_100011934791 [0,1,0,0,0,0|1,0,0]=2 721 B13R1.48 O=C(CSCCCF)c1ccco1 62a_100011934791_100000211439 [0,1,0,0,0,0|1,0,0]=2 722 B13R1.48 O=C(CSCCCF)c1cccs1 62a_100000211436_100011934791 [0,1,0,0,0,0|1,1,0]=3 723 B13R1.48 O=C(CSCCCF)c1cccs1 62a_100011934791_100000211436 [0,1,0,0,0,0|1,1,0]=3 724 B13R1.48 O=C(CSCCCF)c1ccsc1 62a_100011219462_100011934791 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.48 O=C(CSCCCF)c1ccsc1 62a_100011934791_100011219462 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.48 O=C(CSCCCF)c1nccs1 62a_100000718653_100011934791 [0,1,0,0,0,0|2,1,0]=4 727 B13R1.48 O=C(CSCCCF)c1nccs1 62a_100011934791_100000718653 [0,1,0,0,0,0|2,1,0]=4 728 B13R1.48 O=C(CSCCCF)n1cccn1 62a_100000077511_100011934791 [0,1,0,0,0,0|3,0,0]=4 729 B13R1.48 O=C(CSCCCF)n1cccn1 62a_100011934791_100000077511 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.48 O=C(CSCCCO)c1ccc[nH]1 62a_100011215043_200011262396 [0,1,0,0,0,0|2,0,0]=3 731 B13R1.48 O=C(CSCCCO)c1ccc[nH]1 62a_200011262396_100011215043 [0,1,0,0,0,0|2,0,0]=3 732 B13R1.48 O=C(CSCCCO)c1ccco1 62a_100000211439_100011215043 [0,1,0,0,0,0|1,0,0]=2 733 B13R1.48 O=C(CSCCCO)c1ccco1 62a_100011215043_100000211439 [0,1,0,0,0,0|1,0,0]=2 734 B13R1.48 O=C(CSCCCO)c1cccs1 62a_100000211436_100011215043 [0,1,0,0,0,0|1,1,0]=3 735 B13R1.48 O=C(CSCCCO)c1cccs1 62a_100011215043_100000211436 [0,1,0,0,0,0|1,1,0]=3 736 B13R1.48 O=C(CSCCCO)c1ccsc1 62a_100011215043_100011219462 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.48 O=C(CSCCCO)c1ccsc1 62a_100011219462_100011215043 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.48 O=C(CSCCCO)c1nccs1 62a_100000718653_100011215043 [0,1,0,0,0,0|2,1,0]=4 739 B13R1.48 O=C(CSCCCO)c1nccs1 62a_100011215043_100000718653 [0,1,0,0,0,0|2,1,0]=4 740 B13R1.48 O=C(CSCCCO)n1cccn1 62a_100000077511_100011215043 [0,1,0,0,0,0|3,0,0]=4 741 B13R1.48 O=C(CSCCCO)n1cccn1 62a_100011215043_100000077511 [0,1,0,0,0,0|3,0,0]=4 742 B13R1.48 O=CCSCCC(=O)c1cccs1 62a_100011290775_200015260668 [0,1,0,0,0,0|1,1,1]=4 743 B13R1.48 O=CCSCCC(=O)c1cccs1 62a_200015260668_100011290775 [0,1,0,0,0,0|1,1,1]=4 744 B13R1.48 OC(CNCCCF)c1ccco1 2230a_100000738650_100011934791 [0,1,0,0,0,0|1,0,2]=4 745 B13R1.48 OCCCNCC(O)c1ccco1 2230a_100000738650_100000230001 [0,1,0,0,0,0|1,0,2]=4 746 B13R1.48 [13CH3]NCCCNC(=O)c1ccco1 34a_100025751042_200025704644 [0,1,0,0,0,0|1,0,0]=2 747 B13R1.54 CCCCNS(=O)(=O)c1ccco1 270084a_100000102301_200000702926 [0,1,0,0,0,0|2,0,0]=3 748 B13R1.54 CCCCNS(=O)(=O)c1ccco1 274078a_100000102301_200000702926 [0,1,0,0,0,0|2,0,0]=3 749 B13R1.54 CCCCNS(=O)(=O)c1cccs1 270084a_100000102301_100000205146 [0,1,0,0,0,0|2,1,0]=4 750 B13R1.54 CCCCNS(=O)(=O)c1cccs1 274078a_100000102301_100000205146 [0,1,0,0,0,0|2,1,0]=4 751 B13R1.54 CCCCNS(=O)(=O)c1cccs1 40a_100000102301_200000102146 [0,1,0,0,0,0|2,1,0]=4 752 B13R1.54 COCCNS(=O)(=O)c1ccco1 270084a_100000209980_200000702926 [0,1,0,0,0,0|3,0,0]=4 753 B13R1.54 COCCNS(=O)(=O)c1ccco1 274078a_100000209980_200000702926 [0,1,0,0,0,0|3,0,0]=4 754 B13R1.54 CSCCNS(=O)(=O)c1ccco1 270084a_100020590264_200000702926 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.54 CSCCNS(=O)(=O)c1ccco1 274078a_100020590264_200000702926 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.54 O=S(=O)(NCCCF)c1ccco1 270084a_100015189416_200000702926 [0,1,0,0,0,0|3,0,0]=4 757 B13R1.54 O=S(=O)(NCCCF)c1ccco1 274078a_100015189416_200000702926 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.54 O=S(=O)(NCCCO)c1ccco1 270084a_100000182051_200000702926 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.54 O=S(=O)(NCCCO)c1ccco1 274078a_100000182051_200000702926 [0,1,0,0,0,0|3,0,0]=4 760 B13R1.118 CCCCCC(NC)c1ccco1 269862a_106832991636_200011215134 [0,1,0,0,0,0|1,0,1]=3 761 B13R1.118 CCCCCC(NC)c1ccco1 270004a_106832991635_200011215134 [0,1,0,0,0,0|1,0,1]=3 762 B13R1.118 CCCCNC(CC)c1ccco1 2230a_100015202707_100000210211 [0,1,0,0,0,0|2,0,1]=4 763 B13R1.118 CCCCNC(CC)c1ccco1 269862a_100000102301_100000749595 [0,1,0,0,0,0|2,0,1]=4 764 B13R1.118 CCCCOC(CN)c1ccco1 34a_100000738650_100000210210 [0,1,0,0,0,0|2,0,1]=4 765 B13R1.118 CCCNN=C(CC)c1ccco1 4a_100000740057_100000749595 [0,1,0,0,0,0|3,0,0]=4 766 B13R1.162 C#CC(C)SCC(=O)c1ccco1 62a_200000035995_100000211439 [0,1,0,0,0,0|1,0,2]=4 767 B13R1.162 C#C[C@@H](C)OCC(=O)c1ccco1 7a_100009815206_100000211439 [0,1,0,0,0,0|1,0,2]=4 768 B13R1.162 C=CC(C)SCC(=O)c1ccco1 62a_100011215867_100000211439 [0,1,0,0,0,0|1,0,2]=4 769 B13R1.162 CC(C#N)SCC(=O)c1ccco1 62a_100000211439_100000703298 [0,1,0,0,0,0|2,0,1]=4 770 B13R1.162 CC(C#N)SCC(=O)c1ccco1 62a_100000703298_100000211439 [0,1,0,0,0,0|2,0,1]=4 771 B13R1.162 CC(CF)OCC(=O)c1ccc[nH]1 7a_100016041109_200011262396 [0,1,0,0,0,0|3,0,0]=4 772 B13R1.162 CC(CF)OCC(=O)c1ccco1 7a_100016041109_100000211439 [0,1,0,0,0,0|2,0,0]=3 773 B13R1.162 CC(CF)OCC(=O)c1cccs1 7a_100016041109_100000211436 [0,1,0,0,0,0|2,1,0]=4 774 B13R1.162 CC(CO)SCC(=O)c1ccc[nH]1 62a_100012180447_200011262396 [0,1,0,0,0,0|3,0,0]=4 775 B13R1.162 CC(CO)SCC(=O)c1ccco1 62a_100012180447_100000211439 [0,1,0,0,0,0|2,0,0]=3 776 B13R1.162 CC(CO)SCC(=O)c1cccs1 62a_100012180447_100000211436 [0,1,0,0,0,0|2,1,0]=4 777 B13R1.162 CCC(=O)CCC(=O)c1cccs1 1458a_100000210414_100011290775 [0,1,0,0,0,0|0,1,1]=3 778 B13R1.162 CCC(=O)CNC(=O)c1ccco1 1458a_200000183647_100000210202 [0,1,0,0,0,0|1,0,1]=3 779 B13R1.162 CCC(=O)CNC(=O)c1cccs1 1458a_100000183069_100000210202 [0,1,0,0,0,0|1,1,1]=4 780 B13R1.162 CCC(=O)NNC(=O)c1ccco1 22a_100000185077_100000210414 [0,1,0,0,0,0|2,0,1]=4 781 B13R1.162 CCC(C)CCC(=O)N1CC=CC1 1626a_100015195280_100000701222 [0,1,0,0,0,0|2,0,1]=4 782 B13R1.162 CCC(C)CCC(=O)N1CC=CC1 240690a_100015195280_100000701222 [0,1,0,0,0,0|2,0,1]=4 783 B13R1.162 CCC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000748023 [0,1,0,0,0,0|2,0,1]=4 784 B13R1.162 CCC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000243153 [0,1,0,0,0,0|2,0,1]=4 785 B13R1.162 CCC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000748023 [0,1,0,0,0,0|2,0,1]=4 786 B13R1.162 CCC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000748023 [0,1,0,0,0,0|2,0,1]=4 787 B13R1.162 CCC(C)NCC(=O)c1cccs1 2230a_100000209981_100000211436 [0,1,0,0,0,0|1,1,0]=3 788 B13R1.162 CCC(C)NCC(=O)c1ccsc1 2230a_100000209981_100011219462 [0,1,0,0,0,0|3,0,0]=4 789 B13R1.162 CCC(C)NCC(=O)n1cccn1 2230a_100000209981_100000077511 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.162 CCC(C)NCC(O)c1ccco1 2230a_100000738650_100000758301 [0,1,0,0,0,0|1,0,2]=4 791 B13R1.162 CCC(C)NN=C(C)c1ccco1 4a_100000718999_100000210965 [0,1,0,0,0,0|3,0,0]=4 792 B13R1.162 CCC(C)OCC(=O)c1ccc[nH]1 7a_100000210228_200011262396 [0,1,0,0,0,0|2,0,0]=3 793 B13R1.162 CCC(C)OCC(=O)c1ccco1 7a_100000210228_100000211439 [0,1,0,0,0,0|1,0,0]=2 794 B13R1.162 CCC(C)OCC(=O)c1cccs1 7a_100000210228_100000211436 [0,1,0,0,0,0|1,1,0]=3 795 B13R1.162 CCC(C)OCC(=O)c1ccsc1 7a_100000210228_100011219462 [0,1,0,0,0,0|3,0,0]=4 796 B13R1.162 CCC(C)OCC(=O)c1nccs1 7a_100000210228_100000718653 [0,1,0,0,0,0|2,1,0]=4 797 B13R1.162 CCC(C)OCC(=O)n1cccn1 7a_100000210228_100000077511 [0,1,0,0,0,0|3,0,0]=4 798 B13R1.162 CCC(C)SCC(=O)c1ccc[nH]1 62a_100000758301_200011262396 [0,1,0,0,0,0|2,0,0]=3 799 B13R1.162 CCC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000758301 [0,1,0,0,0,0|2,0,0]=3 800 B13R1.162 CCC(C)SCC(=O)c1ccco1 62a_100000211439_100000758301 [0,1,0,0,0,0|1,0,0]=2 801 B13R1.162 CCC(C)SCC(=O)c1ccco1 62a_100000758301_100000211439 [0,1,0,0,0,0|1,0,0]=2 802 B13R1.162 CCC(C)SCC(=O)c1cccs1 62a_100000211436_100000758301 [0,1,0,0,0,0|1,1,0]=3 803 B13R1.162 CCC(C)SCC(=O)c1cccs1 62a_100000758301_100000211436 [0,1,0,0,0,0|1,1,0]=3 804 B13R1.162 CCC(C)SCC(=O)c1ccsc1 62a_100000758301_100011219462 [0,1,0,0,0,0|3,0,0]=4 805 B13R1.162 CCC(C)SCC(=O)c1ccsc1 62a_100011219462_100000758301 [0,1,0,0,0,0|3,0,0]=4 806 B13R1.162 CCC(C)SCC(=O)c1nccs1 62a_100000718653_100000758301 [0,1,0,0,0,0|2,1,0]=4 807 B13R1.162 CCC(C)SCC(=O)c1nccs1 62a_100000758301_100000718653 [0,1,0,0,0,0|2,1,0]=4 808 B13R1.162 CCC(C)SCC(=O)n1cccn1 62a_100000077511_100000758301 [0,1,0,0,0,0|3,0,0]=4 809 B13R1.162 CCC(C)SCC(=O)n1cccn1 62a_100000758301_100000077511 [0,1,0,0,0,0|3,0,0]=4 810 B13R1.162 CCC(O)CCC(=O)N1CC=CC1 1626a_100015195280_203496584001 [0,1,0,0,0,0|2,0,1]=4 811 B13R1.162 CCC(O)CCC(=O)N1CC=CC1 240690a_100015195280_203496584001 [0,1,0,0,0,0|2,0,1]=4 812 B13R1.162 CCC(O)CN[C@H](C)c1ccco1 2230a_100160469435_100011218378 [0,1,0,0,0,0|2,0,1]=4 813 B13R1.162 CCC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011218378 [0,1,0,0,0,0|2,0,1]=4 814 B13R1.162 CCC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011218378 [0,1,0,0,0,0|2,0,1]=4 815 B13R1.162 CCN(C)CCC(=O)c1cccs1 2230a_100000225621_100011290775 [0,1,0,0,0,0|1,1,0]=3 816 B13R1.162 CCN(C)CCC(=O)c1cccs1 269982a_100000225621_100011290775 [0,1,0,0,0,0|1,1,0]=3 817 B13R1.162 CC[C@H](C)CN[C@H](C)c1ccco1 2230a_100160469435_100009816398 [0,1,0,0,0,0|2,0,1]=4 818 B13R1.162 CC[C@H](C)CO[C@@H](C)c1ccco1 34a_100000755270_100009816398 [0,1,0,0,0,0|2,0,1]=4 819 B13R1.162 CC[C@H](C)CO[C@@H](C)c1ccco1 7a_100000755270_100009816398 [0,1,0,0,0,0|2,0,1]=4 820 B13R1.162 CNC(=O)CNC(=O)c1ccco1 11a_106832991635_200000183647 [0,1,0,0,0,0|2,0,1]=4 821 B13R1.162 CNC(=O)CNC(=O)c1ccco1 240690a_100102657272_200000183647 [0,1,0,0,0,0|2,0,1]=4 822 B13R1.162 CNC(=O)CNC(=O)c1ccco1 527a_100102657272_200000183647 [0,1,0,0,0,0|2,0,1]=4 823 B13R1.162 COC(C)SCC(=O)c1ccc[nH]1 62a_100009879195_200011262396 [0,1,0,0,0,0|3,0,0]=4 824 B13R1.162 COC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100009879195 [0,1,0,0,0,0|3,0,0]=4 825 B13R1.162 COC(C)SCC(=O)c1ccco1 62a_100000211439_100009879195 [0,1,0,0,0,0|2,0,0]=3 826 B13R1.162 COC(C)SCC(=O)c1ccco1 62a_100009879195_100000211439 [0,1,0,0,0,0|2,0,0]=3 827 B13R1.162 COC(C)SCC(=O)c1cccs1 62a_100000211436_100009879195 [0,1,0,0,0,0|2,1,0]=4 828 B13R1.162 COC(C)SCC(=O)c1cccs1 62a_100009879195_100000211436 [0,1,0,0,0,0|2,1,0]=4 829 B13R1.162 C[C@H](CO)NCC(=O)c1cccs1 2230a_100000737577_100000211436 [0,1,0,0,0,0|2,1,0]=4 830 B13R1.162 C[C@H](CO)SCC(=O)c1ccc[nH]1 62a_100016084084_200011262396 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.162 C[C@H](CO)SCC(=O)c1ccc[nH]1 62a_200011262396_100016084084 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.162 C[C@H](CO)SCC(=O)c1ccco1 62a_100000211439_100016084084 [0,1,0,0,0,0|2,0,0]=3 833 B13R1.162 C[C@H](CO)SCC(=O)c1ccco1 62a_100016084084_100000211439 [0,1,0,0,0,0|2,0,0]=3 834 B13R1.162 C[C@H](CO)SCC(=O)c1cccs1 62a_100000211436_100016084084 [0,1,0,0,0,0|2,1,0]=4 835 B13R1.162 C[C@H](CO)SCC(=O)c1cccs1 62a_100016084084_100000211436 [0,1,0,0,0,0|2,1,0]=4 836 B13R1.162 N#CC(F)SCC(=O)c1ccco1 62a_100000211439_200000117898 [0,1,0,0,0,0|2,0,1]=4 837 B13R1.162 N#CC(F)SCC(=O)c1ccco1 62a_200000117898_100000211439 [0,1,0,0,0,0|2,0,1]=4 838 B13R1.162 O=C(CF)CNC(=O)c1ccco1 1458a_200000183647_100015361967 [0,1,0,0,0,0|2,0,1]=4 839 B13R1.162 O=C(CO)CCC(=O)c1cccs1 1458a_100000210174_100011290775 [0,1,0,0,0,0|1,1,1]=4 840 B13R1.166 CC(NCCO)C(=O)c1cccs1 2230a_100016997473_100011262360 [0,1,0,0,0,0|2,1,0]=4 841 B13R1.166 CC(SCCF)C(=O)c1cccs1 62a_100011217306_100011262360 [0,1,0,0,0,0|2,1,0]=4 842 B13R1.166 CC(SCCF)C(=O)c1cccs1 62a_100011262360_100011217306 [0,1,0,0,0,0|2,1,0]=4 843 B13R1.166 CC(SCCO)C(=O)c1cccs1 62a_100000211926_100011262360 [0,1,0,0,0,0|2,1,0]=4 844 B13R1.166 CC(SCCO)C(=O)c1cccs1 62a_100011262360_100000211926 [0,1,0,0,0,0|2,1,0]=4 845 B13R1.166 CCCCC(C)C(=O)C1=CCCC1 1458a_100000038896_200011215066 [0,1,0,0,0,0|1,0,2]=4 846 B13R1.166 CCCCC(C)C(=O)C1=CCOC1 1458a_100000139269_200011215066 [0,1,0,0,0,0|2,0,1]=4 847 B13R1.166 CCCCC(C)C(=O)C1=COCC1 1458a_100000750620_200011215066 [0,1,0,0,0,0|2,0,1]=4 848 B13R1.166 CCCCC(C)C(=O)C1CC=CC1 1458a_100000759439_200011215066 [0,1,0,0,0,0|1,0,2]=4 849 B13R1.166 CCCCC(C)C(=O)N1CC=CC1 1626a_100015195280_100000725509 [0,1,0,0,0,0|2,0,1]=4 850 B13R1.166 CCCCC(C)C(=O)N1CC=CC1 240690a_100015195280_100000725509 [0,1,0,0,0,0|2,0,1]=4 851 B13R1.166 CCCCC(O)C(=O)N1CC=CC1 240690a_100015195280_100000720857 [0,1,0,0,0,0|2,0,1]=4 852 B13R1.166 CCCCN(C)C(C)c1ccco1 2230a_100000232712_100000210211 [0,1,0,0,0,0|2,0,1]=4 853 B13R1.166 CCCCN(C)C(C)c1ccco1 269982a_100000232712_100000210211 [0,1,0,0,0,0|2,0,1]=4 854 B13R1.166 CCCSC(C)C(=O)c1cccs1 62a_100000210303_100011262360 [0,1,0,0,0,0|1,1,0]=3 855 B13R1.166 CCCSC(C)C(=O)c1cccs1 62a_100011262360_100000210303 [0,1,0,0,0,0|1,1,0]=3 856 B13R1.166 COCSC(C)C(=O)c1cccs1 62a_100000766300_100011262360 [0,1,0,0,0,0|2,1,0]=4 857 B13R1.166 COCSC(C)C(=O)c1cccs1 62a_100011262360_100000766300 [0,1,0,0,0,0|2,1,0]=4 858 B13R1.166 CSCSC(C)C(=O)c1cccs1 62a_100011218213_100011262360 [0,1,0,0,0,0|2,1,0]=4 859 B13R1.166 CSCSC(C)C(=O)c1cccs1 62a_100011262360_100011218213 [0,1,0,0,0,0|2,1,0]=4 860 B13R1.342 C=C(C)CSCC(=O)c1ccc[nH]1 62a_100000748629_200011262396 [0,1,0,0,0,0|2,0,1]=4 861 B13R1.342 C=C(C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000211660 [0,1,0,0,0,0|2,0,1]=4 862 B13R1.342 C=C(C)CSCC(=O)c1ccco1 62a_100000211439_100000211660 [0,1,0,0,0,0|1,0,1]=3 863 B13R1.342 C=C(C)CSCC(=O)c1ccco1 62a_100000748629_100000211439 [0,1,0,0,0,0|1,0,1]=3 864 B13R1.342 C=C(C)CSCC(=O)c1cccs1 62a_100000211436_100000211660 [0,1,0,0,0,0|1,1,1]=4 865 B13R1.342 C=C(C)CSCC(=O)c1cccs1 62a_100000748629_100000211436 [0,1,0,0,0,0|1,1,1]=4 866 B13R1.342 C=C(F)CSCC(=O)c1ccco1 62a_100000042424_100000211439 [0,1,0,0,0,0|1,0,2]=4 867 B13R1.342 C=C(F)CSCC(=O)c1ccco1 62a_100000211439_100000042424 [0,1,0,0,0,0|1,0,2]=4 868 B13R1.342 CC(=C1C=CC=C1)CCCC(=O)[13CH3] 1458a_100009924236_200025704644 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.342 CC(=NNCC(C)O)c1ccco1 4a_200000730056_100000210965 [0,1,0,0,0,0|3,0,0]=4 870 B13R1.342 CC(=O)CCCC(=C1C=CC=C1)C 1458a_100009924236_200000210301 [0,1,0,0,0,0|2,0,1]=4 871 B13R1.342 CC(=O)CCNC(=O)c1ccco1 1458a_100000184273_200000210301 [0,1,0,0,0,0|1,0,1]=3 872 B13R1.342 CC(=O)CCNC(=O)c1cccs1 1458a_100000195306_200000210301 [0,1,0,0,0,0|1,1,1]=4 873 B13R1.342 CC(Br)COCC(=O)c1ccsc1 34a_100012180447_100011219462 [0,1,0,0,0,0|3,0,0]=4 874 B13R1.342 CC(C)C=NNC(=O)c1ccco1 4a_100000185077_100000210432 [0,1,0,0,0,0|2,0,1]=4 875 B13R1.342 CC(C)CCCC(=O)C1=CCCC1 1458a_100000038896_100011214892 [0,1,0,0,0,0|1,0,2]=4 876 B13R1.342 CC(C)CCCC(=O)C1=CCOC1 1458a_100000139269_100011214892 [0,1,0,0,0,0|2,0,1]=4 877 B13R1.342 CC(C)CCCC(=O)C1=COCC1 1458a_100000750620_100011214892 [0,1,0,0,0,0|2,0,1]=4 878 B13R1.342 CC(C)CCCC(=O)C1CC=CC1 1458a_100000759439_100011214892 [0,1,0,0,0,0|1,0,2]=4 879 B13R1.342 CC(C)CCCC(=O)N1CC=CC1 1626a_100015195280_100011216857 [0,1,0,0,0,0|2,0,1]=4 880 B13R1.342 CC(C)CCCC(=O)N1CC=CC1 240690a_100015195280_100011216857 [0,1,0,0,0,0|2,0,1]=4 881 B13R1.342 CC(C)CCN[C@H](C)c1ccco1 2230a_100160469435_100000210312 [0,1,0,0,0,0|2,0,1]=4 882 B13R1.342 CC(C)CCN[C@H](C)c1ccco1 269862a_100160469435_100000185833 [0,1,0,0,0,0|2,0,1]=4 883 B13R1.342 CC(C)CCO[C@@H](C)c1ccco1 34a_100000755270_100000210312 [0,1,0,0,0,0|2,0,1]=4 884 B13R1.342 CC(C)CCO[C@@H](C)c1ccco1 7a_100000755270_100000210626 [0,1,0,0,0,0|2,0,1]=4 885 B13R1.342 CC(C)CNCC(=O)c1cccs1 2230a_100000210953_100000211436 [0,1,0,0,0,0|1,1,0]=3 886 B13R1.342 CC(C)CNCC(=O)c1ccsc1 2230a_100000210953_100011219462 [0,1,0,0,0,0|3,0,0]=4 887 B13R1.342 CC(C)CNCC(=O)c1ccsc1 34a_100000210953_100011219462 [0,1,0,0,0,0|3,0,0]=4 888 B13R1.342 CC(C)CNCC(=O)n1cccn1 2230a_100000210953_100000077511 [0,1,0,0,0,0|3,0,0]=4 889 B13R1.342 CC(C)CNCC(O)c1ccco1 2230a_100000738650_100000210760 [0,1,0,0,0,0|1,0,2]=4 890 B13R1.342 CC(C)CNCC(O)c1ccco1 270004a_100000738650_100000210432 [0,1,0,0,0,0|1,0,2]=4 891 B13R1.342 CC(C)COCC(=O)c1ccsc1 34a_100000210257_100011219462 [0,1,0,0,0,0|3,0,0]=4 892 B13R1.342 CC(C)CSCC(=O)c1ccc[nH]1 62a_100000210624_200011262396 [0,1,0,0,0,0|2,0,0]=3 893 B13R1.342 CC(C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000210760 [0,1,0,0,0,0|2,0,0]=3 894 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000210624_100000211439 [0,1,0,0,0,0|1,0,0]=2 895 B13R1.342 CC(C)CSCC(=O)c1ccco1 62a_100000211439_100000210760 [0,1,0,0,0,0|1,0,0]=2 896 B13R1.342 CC(C)CSCC(=O)c1cccs1 62a_100000210624_100000211436 [0,1,0,0,0,0|1,1,0]=3 897 B13R1.342 CC(C)CSCC(=O)c1cccs1 62a_100000211436_100000210760 [0,1,0,0,0,0|1,1,0]=3 898 B13R1.342 CC(C)CSCC(=O)c1ccsc1 62a_100000210624_100011219462 [0,1,0,0,0,0|3,0,0]=4 899 B13R1.342 CC(C)CSCC(=O)c1ccsc1 62a_100011219462_100000210760 [0,1,0,0,0,0|3,0,0]=4 900 B13R1.342 CC(C)CSCC(=O)c1nccs1 62a_100000210624_100000718653 [0,1,0,0,0,0|2,1,0]=4 901 B13R1.342 CC(C)CSCC(=O)c1nccs1 62a_100000718653_100000210760 [0,1,0,0,0,0|2,1,0]=4 902 B13R1.342 CC(C)CSCC(=O)n1cccn1 62a_100000077511_100000210760 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.342 CC(C)CSCC(=O)n1cccn1 62a_100000210624_100000077511 [0,1,0,0,0,0|3,0,0]=4 904 B13R1.342 CC(C)NCCC(=O)c1cccs1 2230a_100138425928_100011290775 [0,1,0,0,0,0|1,1,0]=3 905 B13R1.342 CC(C)SCCC(=O)c1cccs1 62a_100000210206_100011290775 [0,1,0,0,0,0|1,1,0]=3 906 B13R1.342 CC(C)SCCC(=O)c1cccs1 62a_100011290775_100000210206 [0,1,0,0,0,0|1,1,0]=3 907 B13R1.342 CC(F)COCC(=O)c1ccsc1 34a_100015925927_100011219462 [0,1,0,0,0,0|3,0,0]=4 908 B13R1.342 CC(O)CCCC(=O)C1=CCCC1 1458a_100000038896_200000718107 [0,1,0,0,0,0|1,0,2]=4 909 B13R1.342 CC(O)CCCC(=O)C1=CCOC1 1458a_100000139269_200000718107 [0,1,0,0,0,0|2,0,1]=4 910 B13R1.342 CC(O)CCCC(=O)C1=COCC1 1458a_100000750620_200000718107 [0,1,0,0,0,0|2,0,1]=4 911 B13R1.342 CC(O)CCCC(=O)C1CC=CC1 1458a_100000759439_200000718107 [0,1,0,0,0,0|1,0,2]=4 912 B13R1.342 CC(O)CCCC(=O)N1CC=CC1 1626a_100015195280_100000761597 [0,1,0,0,0,0|2,0,1]=4 913 B13R1.342 CC(O)CCN[C@H](C)c1ccco1 2230a_100160469435_100012276601 [0,1,0,0,0,0|2,0,1]=4 914 B13R1.342 CC(O)CCO[C@@H](C)c1ccco1 34a_100000755270_100012276601 [0,1,0,0,0,0|2,0,1]=4 915 B13R1.342 CC(O)CCO[C@@H](C)c1ccco1 7a_100000755270_100012276601 [0,1,0,0,0,0|2,0,1]=4 916 B13R1.342 CC(O)CNCC(=O)c1cccs1 2230a_100000210904_100000211436 [0,1,0,0,0,0|1,1,0]=3 917 B13R1.342 CC(O)CNCC(=O)c1ccsc1 2230a_100000210904_100011219462 [0,1,0,0,0,0|3,0,0]=4 918 B13R1.342 CC(O)CNCC(=O)c1ccsc1 34a_100000210904_100011219462 [0,1,0,0,0,0|3,0,0]=4 919 B13R1.342 CC(O)CNCC(=O)n1cccn1 2230a_100000210904_100000077511 [0,1,0,0,0,0|3,0,0]=4 920 B13R1.342 CC(O)CNCC(O)c1ccco1 2230a_100000738650_100011218427 [0,1,0,0,0,0|1,0,2]=4 921 B13R1.342 CC(O)CSCC(=O)c1ccc[nH]1 62a_100011218427_200011262396 [0,1,0,0,0,0|2,0,0]=3 922 B13R1.342 CC(O)CSCC(=O)c1ccc[nH]1 62a_200011262396_100011218427 [0,1,0,0,0,0|2,0,0]=3 923 B13R1.342 CC(O)CSCC(=O)c1ccco1 62a_100000211439_100011218427 [0,1,0,0,0,0|1,0,0]=2 924 B13R1.342 CC(O)CSCC(=O)c1ccco1 62a_100011218427_100000211439 [0,1,0,0,0,0|1,0,0]=2 925 B13R1.342 CC(O)CSCC(=O)c1cccs1 62a_100000211436_100011218427 [0,1,0,0,0,0|1,1,0]=3 926 B13R1.342 CC(O)CSCC(=O)c1cccs1 62a_100011218427_100000211436 [0,1,0,0,0,0|1,1,0]=3 927 B13R1.342 CC(O)CSCC(=O)c1ccsc1 62a_100011218427_100011219462 [0,1,0,0,0,0|3,0,0]=4 928 B13R1.342 CC(O)CSCC(=O)c1ccsc1 62a_100011219462_100011218427 [0,1,0,0,0,0|3,0,0]=4 929 B13R1.342 CC(O)CSCC(=O)c1nccs1 62a_100000718653_100011218427 [0,1,0,0,0,0|2,1,0]=4 930 B13R1.342 CC(O)CSCC(=O)c1nccs1 62a_100011218427_100000718653 [0,1,0,0,0,0|2,1,0]=4 931 B13R1.342 CC(O)CSCC(=O)n1cccn1 62a_100000077511_100011218427 [0,1,0,0,0,0|3,0,0]=4 932 B13R1.342 CC(O)CSCC(=O)n1cccn1 62a_100011218427_100000077511 [0,1,0,0,0,0|3,0,0]=4 933 B13R1.342 C[C@@H](Cl)COCC(=O)c1ccsc1 34a_100016084084_100011219462 [0,1,0,0,0,0|3,0,0]=4 934 B13R1.342 C[C@@H](N)COCC(=O)c1ccsc1 34a_100000737577_100011219462 [0,1,0,0,0,0|3,0,0]=4 935 B13R1.342 C[C@@H](O)CNCC(O)c1ccco1 2230a_100000738650_100009817552 [0,1,0,0,0,0|1,0,2]=4 936 B13R1.342 C[C@@H](O)CSCC(=O)c1ccc[nH]1 62a_100009817552_200011262396 [0,1,0,0,0,0|2,0,0]=3 937 B13R1.342 C[C@@H](O)CSCC(=O)c1ccc[nH]1 62a_200011262396_100009817552 [0,1,0,0,0,0|2,0,0]=3 938 B13R1.342 C[C@@H](O)CSCC(=O)c1ccco1 62a_100000211439_100009817552 [0,1,0,0,0,0|1,0,0]=2 939 B13R1.342 C[C@@H](O)CSCC(=O)c1ccco1 62a_100009817552_100000211439 [0,1,0,0,0,0|1,0,0]=2 940 B13R1.342 C[C@@H](O)CSCC(=O)c1cccs1 62a_100000211436_100009817552 [0,1,0,0,0,0|1,1,0]=3 941 B13R1.342 C[C@@H](O)CSCC(=O)c1cccs1 62a_100009817552_100000211436 [0,1,0,0,0,0|1,1,0]=3 942 B13R1.342 C[C@@H](O)CSCC(=O)c1ccsc1 62a_100009817552_100011219462 [0,1,0,0,0,0|3,0,0]=4 943 B13R1.342 C[C@@H](O)CSCC(=O)c1ccsc1 62a_100011219462_100009817552 [0,1,0,0,0,0|3,0,0]=4 944 B13R1.342 C[C@@H](O)CSCC(=O)c1nccs1 62a_100000718653_100009817552 [0,1,0,0,0,0|2,1,0]=4 945 B13R1.342 C[C@@H](O)CSCC(=O)c1nccs1 62a_100009817552_100000718653 [0,1,0,0,0,0|2,1,0]=4 946 B13R1.342 C[C@@H](O)CSCC(=O)n1cccn1 62a_100000077511_100009817552 [0,1,0,0,0,0|3,0,0]=4 947 B13R1.342 C[C@@H](O)CSCC(=O)n1cccn1 62a_100009817552_100000077511 [0,1,0,0,0,0|3,0,0]=4 948 B13R1.342 NC(=O)CSCC(=O)c1ccco1 62a_100000211439_100000747473 [0,1,0,0,0,0|2,0,1]=4 949 B13R1.342 NC(=O)CSCC(=O)c1ccco1 62a_100000747473_100000211439 [0,1,0,0,0,0|2,0,1]=4 950 B13R1.342 O=C(CSCC(F)F)c1ccc[nH]1 62a_100011934356_200011262396 [0,1,0,0,0,0|3,0,0]=4 951 B13R1.342 O=C(CSCC(F)F)c1ccc[nH]1 62a_200011262396_100011934356 [0,1,0,0,0,0|3,0,0]=4 952 B13R1.342 O=C(CSCC(F)F)c1ccco1 62a_100000211439_100011934356 [0,1,0,0,0,0|2,0,0]=3 953 B13R1.342 O=C(CSCC(F)F)c1ccco1 62a_100011934356_100000211439 [0,1,0,0,0,0|2,0,0]=3 954 B13R1.342 O=C(CSCC(F)F)c1cccs1 62a_100000211436_100011934356 [0,1,0,0,0,0|2,1,0]=4 955 B13R1.342 O=C(CSCC(F)F)c1cccs1 62a_100011934356_100000211436 [0,1,0,0,0,0|2,1,0]=4 956 B13R1.342 O=C(CSC[N+](=O)[O-])c1ccco1 62a_100000211439_100000761209 [0,1,0,0,0,0|3,0,0]=4 957 B13R1.342 O=C(O)CNCC(=O)c1ccco1 269956a_100016091260_100000211439 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.342 O=C([O-])CSCC(=O)c1ccco1 62a_100000211439_100020667443 [0,1,0,0,0,0|2,0,1]=4 959 B13R1.342 O=C([O-])CSCC(=O)c1ccco1 62a_100020667443_100000211439 [0,1,0,0,0,0|2,0,1]=4 960 B13R1.342 [13CH3]C(=O)CCNC(=O)c1ccco1 1458a_100000184273_200025704644 [0,1,0,0,0,0|1,0,1]=3 961 B13R1.342 [13CH3]C(=O)CCNC(=O)c1cccs1 1458a_100000195306_200025704644 [0,1,0,0,0,0|1,1,1]=4 962 B13R1.725 CCCOCC(=O)c1cccn1C 34a_100000210258_200011262399 [0,1,0,0,0,0|2,0,0]=3 963 B13R1.725 CCCOCC(=O)c1nccn1C 34a_100000210258_100010243886 [0,1,0,0,0,0|3,0,0]=4 964 B13R1.725 CCCOCC(=O)c1sccc1Br 34a_100000210258_100000740827 [0,1,0,0,0,0|1,1,0]=3 965 B13R1.725 CCCSCC(=O)c1cccn1C 62a_100000210303_200011262399 [0,1,0,0,0,0|2,0,0]=3 966 B13R1.725 CCCSCC(=O)c1cccn1C 62a_200011262399_100000210303 [0,1,0,0,0,0|2,0,0]=3 967 B13R1.725 CCCSCC(=O)c1nccn1C 62a_100000210303_100010243886 [0,1,0,0,0,0|3,0,0]=4 968 B13R1.725 CCCSCC(=O)c1nccn1C 62a_100010243886_100000210303 [0,1,0,0,0,0|3,0,0]=4 969 B13R1.725 CCCSCC(=O)c1sccc1Br 62a_100000740827_100000210303 [0,1,0,0,0,0|1,1,0]=3 970 B13R1.725 COCSCC(=O)c1cccn1C 62a_100000766300_200011262399 [0,1,0,0,0,0|3,0,0]=4 971 B13R1.725 COCSCC(=O)c1cccn1C 62a_200011262399_100000766300 [0,1,0,0,0,0|3,0,0]=4 972 B13R1.725 COCSCC(=O)c1sccc1Br 62a_100000740827_100000766300 [0,1,0,0,0,0|2,1,0]=4 973 B13R1.725 CSCSCC(=O)c1cccn1C 62a_100011218213_200011262399 [0,1,0,0,0,0|3,0,0]=4 974 B13R1.725 CSCSCC(=O)c1cccn1C 62a_200011262399_100011218213 [0,1,0,0,0,0|3,0,0]=4 975 B13R1.725 CSCSCC(=O)c1sccc1Br 62a_100000740827_100011218213 [0,1,0,0,0,0|2,1,0]=4 976 B13R1.725 Cn1cccc1C(=O)CNCCF 34a_100000724931_200011262399 [0,1,0,0,0,0|3,0,0]=4 977 B13R1.725 Cn1cccc1C(=O)CNCCO 2230a_100016997473_200011262399 [0,1,0,0,0,0|3,0,0]=4 978 B13R1.725 Cn1cccc1C(=O)CNCCO 34a_100016990907_200011262399 [0,1,0,0,0,0|3,0,0]=4 979 B13R1.725 Cn1cccc1C(=O)COCCBr 34a_100000211926_200011262399 [0,1,0,0,0,0|3,0,0]=4 980 B13R1.725 Cn1cccc1C(=O)COCCN 34a_100000210304_200011262399 [0,1,0,0,0,0|3,0,0]=4 981 B13R1.725 Cn1cccc1C(=O)CSCCF 62a_100011217306_200011262399 [0,1,0,0,0,0|3,0,0]=4 982 B13R1.725 Cn1cccc1C(=O)CSCCF 62a_200011262399_100011217306 [0,1,0,0,0,0|3,0,0]=4 983 B13R1.725 Cn1cccc1C(=O)CSCCO 62a_100000211926_200011262399 [0,1,0,0,0,0|3,0,0]=4 984 B13R1.725 Cn1cccc1C(=O)CSCCO 62a_200011262399_100000211926 [0,1,0,0,0,0|3,0,0]=4 985 B13R1.725 NCCOCC(=O)c1sccc1Br 34a_100000210304_100000740827 [0,1,0,0,0,0|2,1,0]=4 986 B13R1.725 O=C(CNCCF)c1sccc1Br 34a_100000724931_100000740827 [0,1,0,0,0,0|2,1,0]=4 987 B13R1.725 O=C(CNCCO)c1sccc1Br 2230a_100016997473_100000740827 [0,1,0,0,0,0|2,1,0]=4 988 B13R1.725 O=C(CNCCO)c1sccc1Br 34a_100016990907_100000740827 [0,1,0,0,0,0|2,1,0]=4 989 B13R1.725 O=C(COCCBr)c1sccc1Br 34a_100000211926_100000740827 [0,1,0,0,0,0|2,1,0]=4 990 B13R1.725 O=C(CSCCF)c1sccc1Br 62a_100000740827_100011217306 [0,1,0,0,0,0|2,1,0]=4 991 B13R1.725 O=C(CSCCO)c1sccc1Br 62a_100000740827_100000211926 [0,1,0,0,0,0|2,1,0]=4 992 B11R0.140 C#CCCCC(=O)C=C/C=C/C 1458a_100000185730_100000731252 [0,0,1,0,0,0|1,0,2]=4 993 B11R0.140 C/C=C/C=CC(=O)C/C=C\CC 1458a_100000185730_100103147603 [0,0,1,0,0,0|1,0,2]=4 994 B11R0.140 C/C=C/C=CC(=O)CC#CCC 1458a_100000185730_100009813939 [0,0,1,0,0,0|1,0,2]=4 995 B11R0.140 C/C=C/C=CC(=O)CCCC#N 1458a_100000185730_100000211468 [0,0,1,0,0,0|2,0,1]=4 996 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,0,1,0,0,0|1,0,0]=2 997 B11R0.140 C/C=C/C=CC(=O)CCCCF 1458a_100000185730_100000729493 [0,0,1,0,0,0|2,0,0]=3 998 B11R0.140 C/C=C/C=CC(=O)CCCCO 1458a_100000185730_100000210776 [0,0,1,0,0,0|2,0,0]=3 999 B11R0.140 C/C=C/C=CC(=O)CCCOC 1458a_100000185730_100000740836 [0,0,1,0,0,0|2,0,0]=3 1000 B11R0.140 C/C=C/C=CC(=O)CCOCC 1458a_100000185730_100011215890 [0,0,1,0,0,0|2,0,0]=3 1001 B11R0.140 C/C=C/C=CC(=O)CCSCC 1458a_100000185730_100000757381 [0,0,1,0,0,0|2,0,0]=3 1002 B11R0.140 C/C=C/C=CC(=O)NCCCC 11a_100000102301_100000185730 [0,0,1,0,0,0|2,0,0]=3 1003 B11R0.140 C/C=C/C=CC(=O)NCCCC 1626a_100000102301_100000185730 [0,0,1,0,0,0|2,0,0]=3 1004 B11R0.140 C/C=C/C=CC(=O)NCCCC 240690a_100000102301_100000185730 [0,0,1,0,0,0|2,0,0]=3 1005 B11R0.140 C/C=C/C=CC(=O)NCCCF 11a_100015189416_100000185730 [0,0,1,0,0,0|3,0,0]=4 1006 B11R0.140 C/C=C/C=CC(=O)NCCCF 1626a_100015189416_100000185730 [0,0,1,0,0,0|3,0,0]=4 1007 B11R0.140 C/C=C/C=CC(=O)NCCCF 240690a_100015189416_100000185730 [0,0,1,0,0,0|3,0,0]=4 1008 B11R0.140 C/C=C/C=CC(=O)NCCCO 240690a_100000182051_100000185730 [0,0,1,0,0,0|3,0,0]=4 1009 B11R0.140 C/C=C/C=CC(=O)NCCOC 1626a_100000209980_100000185730 [0,0,1,0,0,0|3,0,0]=4 1010 B11R0.140 C/C=C/C=CC(=O)NCCOC 240690a_100000209980_100000185730 [0,0,1,0,0,0|3,0,0]=4 1011 B11R0.140 C/C=C/C=CC(=O)NCCSC 11a_100020590264_100000185730 [0,0,1,0,0,0|3,0,0]=4 1012 B11R0.140 C/C=C/C=CC(=O)NCCSC 1626a_100020590264_100000185730 [0,0,1,0,0,0|3,0,0]=4 1013 B11R0.140 C/C=C/C=CC(=O)NCCSC 240690a_100020590264_100000185730 [0,0,1,0,0,0|3,0,0]=4 1014 B11R0.140 C/C=C/C=CC(=O)NNCCC 22a_100000740057_100000185730 [0,0,1,0,0,0|3,0,0]=4 1015 B11R0.140 C=CCCCC(=O)C=C/C=C/C 1458a_100000185730_100000757094 [0,0,1,0,0,0|1,0,2]=4 1016 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,0,1,0,0,0|1,0,2]=4 1017 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,0,1,0,0,0|1,0,2]=4 1018 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [0,0,1,0,0,0|2,0,1]=4 1019 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [0,0,1,0,0,0|2,0,1]=4 1020 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [0,0,1,0,0,0|2,0,1]=4 1021 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [0,0,1,0,0,0|2,0,1]=4 1022 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [0,0,1,0,0,0|1,0,2]=4 1023 B11R0.140 C=CCNNC(=O)CCCCC 22a_100020588587_100000212188 [0,0,1,0,0,0|2,0,1]=4 1024 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [0,0,1,0,0,0|0,0,2]=3 1025 B11R0.140 C=CCOCC(=O)NCCCC 34a_200000210373_100000182744 [0,0,1,0,0,0|1,0,2]=4 1026 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [0,0,1,0,0,0|1,0,2]=4 1027 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [0,0,1,0,0,0|0,1,2]=4 1028 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [0,0,1,0,0,0|0,1,2]=4 1029 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [0,0,1,0,0,0|0,1,2]=4 1030 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [0,0,1,0,0,0|2,0,1]=4 1031 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,0,1,0,0,0|1,0,2]=4 1032 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,0,1,0,0,0|1,0,2]=4 1033 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,0,1,0,0,0|1,0,2]=4 1034 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [0,0,1,0,0,0|2,0,1]=4 1035 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,0,1,0,0,0|2,0,1]=4 1036 B11R0.155 C=CCC(C)C(=O)CCCCC 1458a_100011216819_100000210326 [0,0,1,0,0,0|1,0,2]=4 1037 B11R0.155 C=CCN(C)C(=O)CCCCC 11a_100000225617_100000212188 [0,0,1,0,0,0|2,0,1]=4 1038 B11R0.155 C=CCN(C)C(=O)CCCCC 1626a_100000225617_100000212188 [0,0,1,0,0,0|2,0,1]=4 1039 B11R0.155 C=CCN(C)C(=O)CCCCC 240690a_100000225617_100000212188 [0,0,1,0,0,0|2,0,1]=4 1040 B11R0.155 C=CCN(C)C(=O)CCCCC 527a_100000225617_100000212188 [0,0,1,0,0,0|2,0,1]=4 1041 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,0,1,0,0,0|1,0,2]=4 1042 B13R2.13 O=C1C=C(CCC1)c2ccco2 271570a_100000723966_100009814098 [0,0,0,1,0,0|2,0,1]=4 1043 B13R2.443 CC(=NNC1CC1)c2ccco2 4a_100000701032_100000210965 [0,0,0,1,0,0|3,0,0]=4 1044 B13R2.443 C[C@@H](NCC1CC1)c2ccco2 2230a_100160469435_100000742324 [0,0,0,1,0,0|2,0,1]=4 1045 B13R2.443 C[C@@H](NCC1CC1)c2ccco2 269862a_100160469435_100000741477 [0,0,0,1,0,0|2,0,1]=4 1046 B13R2.443 C[C@H](OCC1CC1)c2ccco2 34a_100000755270_100000742324 [0,0,0,1,0,0|2,0,1]=4 1047 B13R2.443 C[C@H](OCC1CC1)c2ccco2 7a_100000755270_100000742324 [0,0,0,1,0,0|2,0,1]=4 1048 B13R2.443 O=C(CCC1CC1)C2=CCCC2 1458a_100000038896_100000694398 [0,0,0,1,0,0|1,0,2]=4 1049 B13R2.443 O=C(CCC1CC1)C2=CCOC2 1458a_100000139269_100000694398 [0,0,0,1,0,0|2,0,1]=4 1050 B13R2.443 O=C(CCC1CC1)C2=COCC2 1458a_100000750620_100000694398 [0,0,0,1,0,0|2,0,1]=4 1051 B13R2.443 O=C(CCC1CC1)C2CC=CC2 1458a_100000759439_100000694398 [0,0,0,1,0,0|1,0,2]=4 1052 B13R2.443 O=C(CCC1CC1)N2CC=CC2 1626a_100015195280_100000756386 [0,0,0,1,0,0|2,0,1]=4 1053 B13R2.443 O=C(CCC1CC1)N2CC=CC2 240690a_100015195280_100000756386 [0,0,0,1,0,0|2,0,1]=4 1054 B13R2.443 O=C(CNC1CC1)c2ccsc2 34a_100000212008_100011219462 [0,0,0,1,0,0|3,0,0]=4 1055 B13R2.443 O=C(CSC1CC1)c2ccc[nH]2 62a_200011262396_100000211595 [0,0,0,1,0,0|2,0,0]=3 1056 B13R2.443 O=C(CSC1CC1)c2ccco2 62a_100000211439_100000211595 [0,0,0,1,0,0|1,0,0]=2 1057 B13R2.443 O=C(CSC1CC1)c2cccs2 62a_100000211436_100000211595 [0,0,0,1,0,0|1,1,0]=3 1058 B13R2.443 O=C(CSC1CC1)c2ccsc2 62a_100011219462_100000211595 [0,0,0,1,0,0|3,0,0]=4 1059 B13R2.443 O=C(CSC1CC1)c2nccs2 62a_100000718653_100000211595 [0,0,0,1,0,0|2,1,0]=4 1060 B13R2.443 O=C(CSC1CC1)n2cccn2 62a_100000077511_100000211595 [0,0,0,1,0,0|3,0,0]=4 1061 B13R2.445 C[C@@H](NC1CCC1)c2ccco2 270004a_100160469435_100000241760 [0,0,0,1,0,0|2,0,1]=4 1062 B13R2.445 C[C@H](OC1CCC1)c2ccco2 34a_100000755270_100000749161 [0,0,0,1,0,0|2,0,1]=4 1063 B13R2.445 O=C(CC1CCC1)C2=CCCC2 1458a_100000038896_100000763275 [0,0,0,1,0,0|1,0,2]=4 1064 B13R2.445 O=C(CC1CCC1)C2=CCOC2 1458a_100000139269_100000763275 [0,0,0,1,0,0|2,0,1]=4 1065 B13R2.445 O=C(CC1CCC1)C2=COCC2 1458a_100000750620_100000763275 [0,0,0,1,0,0|2,0,1]=4 1066 B13R2.445 O=C(CC1CCC1)C2CC=CC2 1458a_100000759439_100000763275 [0,0,0,1,0,0|1,0,2]=4 1067 B13R2.445 O=C(CC1CCC1)N2CC=CC2 1626a_100015195280_100000763092 [0,0,0,1,0,0|2,0,1]=4 1068 B13R2.445 O=C(CC1CCC1)N2CC=CC2 240690a_100015195280_100000763092 [0,0,0,1,0,0|2,0,1]=4 1069 B13R2.445 O=C(CN1CCC1)c2ccc[nH]2 269982a_100000754969_200011262396 [0,0,0,1,0,0|2,0,0]=3 1070 B13R2.445 O=C(CN1CCC1)c2ccco2 269982a_100000754969_100000211439 [0,0,0,1,0,0|1,0,0]=2 1071 B13R2.445 O=C(CN1CCC1)c2cccs2 269982a_100000754969_100000211436 [0,0,0,1,0,0|1,1,0]=3 1072 B13R2.445 O=C(CN1CCC1)c2ccsc2 269982a_100000754969_100011219462 [0,0,0,1,0,0|3,0,0]=4 1073 B13R2.445 O=C(CN1CCC1)c2nccs2 269982a_100000754969_100000718653 [0,0,0,1,0,0|2,1,0]=4 1074 B13R2.445 O=C(CN1CCC1)n2cccn2 269982a_100000754969_100000077511 [0,0,0,1,0,0|3,0,0]=4 1075 B13R2.549 CCC1CC1C(=O)N2CC=CC2 1626a_100015195280_200011661523 [0,0,0,1,0,0|2,0,1]=4 1076 B13R2.549 CCC1CC1C(=O)N2CC=CC2 240690a_100015195280_200011661523 [0,0,0,1,0,0|2,0,1]=4 1077 B13R2.674 O=C(C1=CCCC1)C2CCCC2 1458a_100000038896_100000179811 [0,0,0,1,0,0|1,0,2]=4 1078 B13R2.674 O=C(C1=CCOC1)C2CCCC2 1458a_100000139269_100000179811 [0,0,0,1,0,0|2,0,1]=4 1079 B13R2.674 O=C(C1=COCC1)C2CCCC2 1458a_100000750620_100000179811 [0,0,0,1,0,0|2,0,1]=4 1080 B13R2.674 O=C(C1CC=CC1)C2CCCC2 1458a_100000759439_100000179811 [0,0,0,1,0,0|1,0,2]=4 1081 B13R2.674 O=C(C1CCCC1)N2CC=CC2 1626a_100015195280_100000210718 [0,0,0,1,0,0|2,0,1]=4 1082 B13R2.674 O=C(C1CCCC1)N2CC=CC2 240690a_100015195280_100000210718 [0,0,0,1,0,0|2,0,1]=4 1083 B13R2.677 C1=C(CCCCC1)c2c[nH]cn2 271570a_200009888920_100000756875 [0,0,0,1,0,0|3,0,0]=4 1084 B13R2.677 C1=C(CCCCC1)c2cc[nH]n2 271570a_200009888920_100000062575 [0,0,0,1,0,0|3,0,0]=4 1085 B13R2.677 C1=C(CCCCC1)c2ccco2 271570a_200009888920_100009814098 [0,0,0,1,0,0|1,0,0]=2 1086 B13R2.677 C1=C(CCCCC1)c2cccs2 271570a_200009888920_100011215356 [0,0,0,1,0,0|1,1,0]=3 1087 B13R2.677 C1=C(CCCCC1)c2ccoc2 271570a_200009888920_100011215275 [0,0,0,1,0,0|3,0,0]=4 1088 B13R2.677 C1=C(CCCCC1)c2ccsc2 271570a_200009888920_100000738268 [0,0,0,1,0,0|3,0,0]=4 1089 B13R2.677 C1=C(CCCCC1)c2ccsn2 271570a_200009888920_100009818082 [0,0,0,1,0,0|3,0,0]=4 1090 B13R2.677 C1=C(CCCCC1)c2cnco2 271570a_200009888920_100020591547 [0,0,0,1,0,0|2,0,0]=3 1091 B13R2.677 C1=C(CCCCC1)c2cncs2 271570a_200009888920_100011934649 [0,0,0,1,0,0|2,1,0]=4 1092 B13R2.677 C1=C(CCCCC1)c2cscn2 271570a_200009888920_100000751502 [0,0,0,1,0,0|3,0,0]=4 1093 B13R2.677 C1=C(CCCCC1)c2ncc[nH]2 271570a_200009888920_100025796157 [0,0,0,1,0,0|3,0,0]=4 1094 B13R2.677 C1=C(CCCCC1)c2ncco2 271570a_200009888920_100011787736 [0,0,0,1,0,0|2,0,0]=3 1095 B13R2.677 C1=C(CCCCC1)c2nccs2 271570a_200009888920_100000211983 [0,0,0,1,0,0|2,1,0]=4 1096 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,0,0,0,1,0|0,0,3]=4 1097 B13R1.24 C#CCCCC(=O)c1ccccc1 1458a_100000185807_100000731252 [0,0,0,0,0,1|1,0,2]=4 1098 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [0,0,0,0,0,1|1,0,2]=4 1099 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [0,0,0,0,0,1|1,0,2]=4 1100 B13R1.24 CCC#CCC(=O)c1ccccc1 1458a_100000185807_100009813939 [0,0,0,0,0,1|1,0,2]=4 1101 B13R1.24 CCCCCC(=O)C1=CCCCC1 1458a_100000765259_100000210326 [0,0,0,0,0,1|1,0,2]=4 1102 B13R1.24 CCCCCC(=O)C1=CCCCO1 1458a_100000764163_100000210326 [0,0,0,0,0,1|0,0,2]=3 1103 B13R1.24 CCCCCC(=O)C1=COCCC1 1458a_100000749935_100000210326 [0,0,0,0,0,1|0,0,3]=4 1104 B13R1.24 CCCCCC(=O)C1=COCCO1 1458a_100000008702_100000210326 [0,0,0,0,0,1|0,0,2]=3 1105 B13R1.24 CCCCCC(=O)C1C=CCCC1 1458a_100000212188_100000751183 [0,0,0,0,0,1|1,0,2]=4 1106 B13R1.24 CCCCCC(=O)N1CC=CCC1 11a_100000698166_100000212188 [0,0,0,0,0,1|2,0,1]=4 1107 B13R1.24 CCCCCC(=O)N1CC=CCC1 1626a_100000698166_100000212188 [0,0,0,0,0,1|2,0,1]=4 1108 B13R1.24 CCCCCC(=O)N1CC=CCC1 240690a_100000698166_100000212188 [0,0,0,0,0,1|2,0,1]=4 1109 B13R1.24 CCCCCC(=O)N1CC=CCC1 527a_100000698166_100000212188 [0,0,0,0,0,1|2,0,1]=4 1110 B13R1.24 CCCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210326 [0,0,0,0,0,1|1,0,2]=4 1111 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,0,0,0,0,1|1,0,0]=2 1112 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [0,0,0,0,0,1|3,0,0]=4 1113 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [0,0,0,0,0,1|3,0,0]=4 1114 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [0,0,0,0,0,1|3,0,0]=4 1115 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [0,0,0,0,0,1|3,0,0]=4 1116 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [0,0,0,0,0,1|3,0,0]=4 1117 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [0,0,0,0,0,1|3,0,0]=4 1118 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [0,0,0,0,0,1|3,0,0]=4 1119 B13R1.24 CCCCCN(C)c1cccnn1 27a_100000223495_100016991348 [0,0,0,0,0,1|3,0,0]=4 1120 B13R1.24 CCCCCN(C)c1ccncn1 27a_100000223495_100000703185 [0,0,0,0,0,1|3,0,0]=4 1121 B13R1.24 CCCCCN(C)c1cnccn1 27a_100000223495_100000211759 [0,0,0,0,0,1|3,0,0]=4 1122 B13R1.24 CCCCCN(C)c1ncccn1 27a_100000223495_100000211032 [0,0,0,0,0,1|3,0,0]=4 1123 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [0,0,0,0,0,1|3,0,0]=4 1124 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [0,0,0,0,0,1|3,0,0]=4 1125 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [0,0,0,0,0,1|3,0,0]=4 1126 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [0,0,0,0,0,1|3,0,0]=4 1127 B13R1.24 CCCCNC(=O)C1=CCCCO1 11a_100000102301_100000764163 [0,0,0,0,0,1|1,0,2]=4 1128 B13R1.24 CCCCNC(=O)C1=CCCCO1 1626a_100000102301_100000764163 [0,0,0,0,0,1|1,0,2]=4 1129 B13R1.24 CCCCNC(=O)C1=CCCCO1 240690a_100000102301_100000764163 [0,0,0,0,0,1|1,0,2]=4 1130 B13R1.24 CCCCNC(=O)C1=CCCCO1 527a_100000102301_100000764163 [0,0,0,0,0,1|1,0,2]=4 1131 B13R1.24 CCCCNC(=O)C1=COCCO1 11a_100000102301_100000008702 [0,0,0,0,0,1|1,0,2]=4 1132 B13R1.24 CCCCNC(=O)C1=COCCO1 1626a_100000102301_100000008702 [0,0,0,0,0,1|1,0,2]=4 1133 B13R1.24 CCCCNC(=O)C1=COCCO1 240690a_100000102301_100000008702 [0,0,0,0,0,1|1,0,2]=4 1134 B13R1.24 CCCCNC(=O)C1=COCCO1 527a_100000102301_100000008702 [0,0,0,0,0,1|1,0,2]=4 1135 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,0,0,0,0,1|2,0,0]=3 1136 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,0,0,0,0,1|2,0,0]=3 1137 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,0,0,0,0,1|2,0,0]=3 1138 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,0,0,0,0,1|2,0,0]=3 1139 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [0,0,0,0,0,1|3,0,0]=4 1140 B13R1.24 CCCOCC(=O)c1ccccn1 34a_100000210258_100000027445 [0,0,0,0,0,1|2,0,0]=3 1141 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,0,0,0,0,1|2,0,0]=3 1142 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,0,0,0,0,1|2,0,0]=3 1143 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000027445_100000210303 [0,0,0,0,0,1|2,0,0]=3 1144 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000210303_100000027445 [0,0,0,0,0,1|2,0,0]=3 1145 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000210303_100000757877 [0,0,0,0,0,1|2,0,0]=3 1146 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000757877_100000210303 [0,0,0,0,0,1|2,0,0]=3 1147 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000027454_100000210303 [0,0,0,0,0,1|2,0,0]=3 1148 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000210303_100000027454 [0,0,0,0,0,1|2,0,0]=3 1149 B13R1.24 CCCSCC(=O)c1ncccn1 62a_100000210303_100020636365 [0,0,0,0,0,1|2,0,0]=3 1150 B13R1.24 CCCSCC(=O)c1ncccn1 62a_100020636365_100000210303 [0,0,0,0,0,1|2,0,0]=3 1151 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [0,0,0,0,0,1|3,0,0]=4 1152 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,0,0,0,0,1|2,0,0]=3 1153 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [0,0,0,0,0,1|3,0,0]=4 1154 B13R1.24 CCOCCC(=O)C1=CCCCO1 1458a_100000764163_100011215890 [0,0,0,0,0,1|1,0,2]=4 1155 B13R1.24 CCOCCC(=O)C1=COCCO1 1458a_100000008702_100011215890 [0,0,0,0,0,1|1,0,2]=4 1156 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,0,0,0,0,1|2,0,0]=3 1157 B13R1.24 CCSCCC(=O)C1=CCCCO1 1458a_100000764163_100000757381 [0,0,0,0,0,1|1,0,2]=4 1158 B13R1.24 CCSCCC(=O)C1=COCCO1 1458a_100000008702_100000757381 [0,0,0,0,0,1|1,0,2]=4 1159 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,0,0,0,0,1|2,0,0]=3 1160 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,0,0,0,0,1|2,0,0]=3 1161 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,0,0,0,0,1|2,0,0]=3 1162 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [0,0,0,0,0,1|3,0,0]=4 1163 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [0,0,0,0,0,1|3,0,0]=4 1164 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [0,0,0,0,0,1|3,0,0]=4 1165 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,0,0,0,0,1|2,0,0]=3 1166 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,0,0,0,0,1|2,0,0]=3 1167 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [0,0,0,0,0,1|3,0,0]=4 1168 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [0,0,0,0,0,1|3,0,0]=4 1169 B13R1.24 CNCCNC(=O)c1ccncc1 2230a_200011198449_200000210301 [0,0,0,0,0,1|3,0,0]=4 1170 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [0,0,0,0,0,1|3,0,0]=4 1171 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [0,0,0,0,0,1|3,0,0]=4 1172 B13R1.24 COCCCC(=O)C1=CCCCO1 1458a_100000764163_100000740836 [0,0,0,0,0,1|1,0,2]=4 1173 B13R1.24 COCCCC(=O)C1=COCCO1 1458a_100000008702_100000740836 [0,0,0,0,0,1|1,0,2]=4 1174 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [0,0,0,0,0,1|2,0,0]=3 1175 B13R1.24 COCCNC(=O)c1ccccc1 1626a_100000209980_100000185807 [0,0,0,0,0,1|3,0,0]=4 1176 B13R1.24 COCCNC(=O)c1ccccc1 240690a_100000209980_100000185807 [0,0,0,0,0,1|3,0,0]=4 1177 B13R1.24 COCCNC(=O)c1ccccc1 34a_200000158897_200000210301 [0,0,0,0,0,1|3,0,0]=4 1178 B13R1.24 COCCNC(=O)c1ccccc1 527a_100000209980_100000185807 [0,0,0,0,0,1|3,0,0]=4 1179 B13R1.24 COCCNC(=O)c1ccccc1 7a_200000158897_200000210301 [0,0,0,0,0,1|3,0,0]=4 1180 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [0,0,0,0,0,1|3,0,0]=4 1181 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [0,0,0,0,0,1|3,0,0]=4 1182 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000211460_100000766300 [0,0,0,0,0,1|3,0,0]=4 1183 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000766300_100000211460 [0,0,0,0,0,1|3,0,0]=4 1184 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000027445_100000766300 [0,0,0,0,0,1|3,0,0]=4 1185 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000766300_100000027445 [0,0,0,0,0,1|3,0,0]=4 1186 B13R1.24 COCSCC(=O)c1cccnc1 62a_100000757877_100000766300 [0,0,0,0,0,1|3,0,0]=4 1187 B13R1.24 COCSCC(=O)c1cccnc1 62a_100000766300_100000757877 [0,0,0,0,0,1|3,0,0]=4 1188 B13R1.24 COCSCC(=O)c1ccncc1 62a_100000027454_100000766300 [0,0,0,0,0,1|3,0,0]=4 1189 B13R1.24 COCSCC(=O)c1ccncc1 62a_100000766300_100000027454 [0,0,0,0,0,1|3,0,0]=4 1190 B13R1.24 COCSCC(=O)c1ncccn1 62a_100000766300_100020636365 [0,0,0,0,0,1|3,0,0]=4 1191 B13R1.24 COCSCC(=O)c1ncccn1 62a_100020636365_100000766300 [0,0,0,0,0,1|3,0,0]=4 1192 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [0,0,0,0,0,1|2,0,0]=3 1193 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [0,0,0,0,0,1|2,0,0]=3 1194 B13R1.24 CSCCNC(=O)c1ccccc1 11a_100020590264_100000185807 [0,0,0,0,0,1|3,0,0]=4 1195 B13R1.24 CSCCNC(=O)c1ccccc1 1626a_100020590264_100000185807 [0,0,0,0,0,1|3,0,0]=4 1196 B13R1.24 CSCCNC(=O)c1ccccc1 240690a_100020590264_100000185807 [0,0,0,0,0,1|3,0,0]=4 1197 B13R1.24 CSCCNC(=O)c1ccccc1 527a_100020590264_100000185807 [0,0,0,0,0,1|3,0,0]=4 1198 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200000210301_200011215302 [0,0,0,0,0,1|3,0,0]=4 1199 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200011215302_200000210301 [0,0,0,0,0,1|3,0,0]=4 1200 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [0,0,0,0,0,1|3,0,0]=4 1201 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [0,0,0,0,0,1|3,0,0]=4 1202 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100000211460_100011218213 [0,0,0,0,0,1|3,0,0]=4 1203 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100011218213_100000211460 [0,0,0,0,0,1|3,0,0]=4 1204 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100000027445_100011218213 [0,0,0,0,0,1|3,0,0]=4 1205 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100011218213_100000027445 [0,0,0,0,0,1|3,0,0]=4 1206 B13R1.24 CSCSCC(=O)c1cccnc1 62a_100000757877_100011218213 [0,0,0,0,0,1|3,0,0]=4 1207 B13R1.24 CSCSCC(=O)c1cccnc1 62a_100011218213_100000757877 [0,0,0,0,0,1|3,0,0]=4 1208 B13R1.24 CSCSCC(=O)c1ccncc1 62a_100000027454_100011218213 [0,0,0,0,0,1|3,0,0]=4 1209 B13R1.24 CSCSCC(=O)c1ccncc1 62a_100011218213_100000027454 [0,0,0,0,0,1|3,0,0]=4 1210 B13R1.24 CSCSCC(=O)c1ncccn1 62a_100011218213_100020636365 [0,0,0,0,0,1|3,0,0]=4 1211 B13R1.24 CSCSCC(=O)c1ncccn1 62a_100020636365_100011218213 [0,0,0,0,0,1|3,0,0]=4 1212 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [0,0,0,0,0,1|2,0,1]=4 1213 B13R1.24 NCCOCC(=O)c1ccccn1 34a_100000210304_100000027445 [0,0,0,0,0,1|3,0,0]=4 1214 B13R1.24 O=C(CCCCF)C1=CCCCO1 1458a_100000764163_100000729493 [0,0,0,0,0,1|1,0,2]=4 1215 B13R1.24 O=C(CCCCF)C1=COCCO1 1458a_100000008702_100000729493 [0,0,0,0,0,1|1,0,2]=4 1216 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [0,0,0,0,0,1|2,0,0]=3 1217 B13R1.24 O=C(CCCCO)C1=CCCCO1 1458a_100000764163_100000210776 [0,0,0,0,0,1|1,0,2]=4 1218 B13R1.24 O=C(CCCCO)C1=COCCO1 1458a_100000008702_100000210776 [0,0,0,0,0,1|1,0,2]=4 1219 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [0,0,0,0,0,1|2,0,0]=3 1220 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [0,0,0,0,0,1|3,0,0]=4 1221 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [0,0,0,0,0,1|3,0,0]=4 1222 B13R1.24 O=C(CNCCF)c1ccccn1 34a_100000724931_100000027445 [0,0,0,0,0,1|3,0,0]=4 1223 B13R1.24 O=C(CNCCO)c1ccccn1 34a_100016990907_100000027445 [0,0,0,0,0,1|3,0,0]=4 1224 B13R1.24 O=C(COCCBr)c1ccccn1 34a_100000211926_100000027445 [0,0,0,0,0,1|3,0,0]=4 1225 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [0,0,0,0,0,1|3,0,0]=4 1226 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [0,0,0,0,0,1|3,0,0]=4 1227 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100000027445_100011217306 [0,0,0,0,0,1|3,0,0]=4 1228 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100011217306_100000027445 [0,0,0,0,0,1|3,0,0]=4 1229 B13R1.24 O=C(CSCCF)c1cccnc1 62a_100000757877_100011217306 [0,0,0,0,0,1|3,0,0]=4 1230 B13R1.24 O=C(CSCCF)c1cccnc1 62a_100011217306_100000757877 [0,0,0,0,0,1|3,0,0]=4 1231 B13R1.24 O=C(CSCCF)c1ccncc1 62a_100000027454_100011217306 [0,0,0,0,0,1|3,0,0]=4 1232 B13R1.24 O=C(CSCCF)c1ccncc1 62a_100011217306_100000027454 [0,0,0,0,0,1|3,0,0]=4 1233 B13R1.24 O=C(CSCCF)c1ncccn1 62a_100011217306_100020636365 [0,0,0,0,0,1|3,0,0]=4 1234 B13R1.24 O=C(CSCCF)c1ncccn1 62a_100020636365_100011217306 [0,0,0,0,0,1|3,0,0]=4 1235 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [0,0,0,0,0,1|3,0,0]=4 1236 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [0,0,0,0,0,1|3,0,0]=4 1237 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000027445_100000211926 [0,0,0,0,0,1|3,0,0]=4 1238 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000211926_100000027445 [0,0,0,0,0,1|3,0,0]=4 1239 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000211926_100000757877 [0,0,0,0,0,1|3,0,0]=4 1240 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000757877_100000211926 [0,0,0,0,0,1|3,0,0]=4 1241 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000027454_100000211926 [0,0,0,0,0,1|3,0,0]=4 1242 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000211926_100000027454 [0,0,0,0,0,1|3,0,0]=4 1243 B13R1.24 O=C(CSCCO)c1ncccn1 62a_100000211926_100020636365 [0,0,0,0,0,1|3,0,0]=4 1244 B13R1.24 O=C(CSCCO)c1ncccn1 62a_100020636365_100000211926 [0,0,0,0,0,1|3,0,0]=4 1245 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [0,0,0,0,0,1|3,0,0]=4 1246 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [0,0,0,0,0,1|3,0,0]=4 1247 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [0,0,0,0,0,1|3,0,0]=4 1248 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [0,0,0,0,0,1|3,0,0]=4 1249 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [0,0,0,0,0,1|3,0,0]=4 1250 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [0,0,0,0,0,1|3,0,0]=4 1251 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [0,0,0,0,0,1|3,0,0]=4 1252 B13R1.24 [13CH3]NCCNC(=O)c1ccncc1 2230a_200011198449_200025704644 [0,0,0,0,0,1|3,0,0]=4 1253 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 34a_200000158897_200025704644 [0,0,0,0,0,1|3,0,0]=4 1254 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 7a_200000158897_200025704644 [0,0,0,0,0,1|3,0,0]=4 1255 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [0,0,0,0,0,1|3,0,0]=4 1256 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [0,0,0,0,0,1|2,0,0]=3 1257 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [0,0,0,0,0,1|2,0,0]=3 1258 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200011215302_200025704644 [0,0,0,0,0,1|3,0,0]=4 1259 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200025704644_200011215302 [0,0,0,0,0,1|3,0,0]=4 1260 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [0,0,0,0,0,1|3,0,0]=4 1261 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [0,0,0,0,0,1|3,0,0]=4 1262 B13R1.156 C#CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000731252 [0,0,0,0,0,1|1,0,2]=4 1263 B13R1.156 C#CCCCC(=O)Cc1ccco1 1458a_100011217309_100000731252 [0,0,0,0,0,1|0,0,2]=3 1264 B13R1.156 C#CCCCC(=O)Cc1cccs1 1458a_100000210189_100000731252 [0,0,0,0,0,1|0,1,2]=4 1265 B13R1.156 C#CCCCC(=O)Cc1ncco1 1458a_100000690238_103436540062 [0,0,0,0,0,1|1,0,2]=4 1266 B13R1.156 C#CCCNC(=O)Cc1ccco1 11a_100000755551_100011217309 [0,0,0,0,0,1|1,0,2]=4 1267 B13R1.156 C#CCCNC(=O)Cc1ccco1 527a_100000755551_100011217309 [0,0,0,0,0,1|1,0,2]=4 1268 B13R1.156 C=CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000757094 [0,0,0,0,0,1|1,0,2]=4 1269 B13R1.156 C=CCCCC(=O)Cc1ccco1 1458a_100011217309_100000757094 [0,0,0,0,0,1|0,0,2]=3 1270 B13R1.156 C=CCCCC(=O)Cc1cccs1 1458a_100000210189_100000757094 [0,0,0,0,0,1|0,1,2]=4 1271 B13R1.156 C=CCCCC(=O)Cc1ncco1 1458a_100000766728_103436540062 [0,0,0,0,0,1|1,0,2]=4 1272 B13R1.156 C=CCCNC(=O)Cc1ccco1 11a_100015191253_100011217309 [0,0,0,0,0,1|1,0,2]=4 1273 B13R1.156 C=CCCNC(=O)Cc1ccco1 527a_100015191253_100011217309 [0,0,0,0,0,1|1,0,2]=4 1274 B13R1.156 C=COCCC(=O)Cc1ccco1 1458a_100011217309_100000039644 [0,0,0,0,0,1|1,0,2]=4 1275 B13R1.156 CC#CCNC(=O)Cc1ccco1 11a_100000685387_100011217309 [0,0,0,0,0,1|1,0,2]=4 1276 B13R1.156 CC#CCNC(=O)Cc1ccco1 527a_100000685387_100011217309 [0,0,0,0,0,1|1,0,2]=4 1277 B13R1.156 CC/C=C/CC(=O)Cc1ncco1 1458a_100016274230_103436540062 [0,0,0,0,0,1|1,0,2]=4 1278 B13R1.156 CC/C=C\CC(=O)Cc1ccc[nH]1 1458a_100000238377_100103147603 [0,0,0,0,0,1|1,0,2]=4 1279 B13R1.156 CC/C=C\CC(=O)Cc1ccco1 1458a_100011217309_100103147603 [0,0,0,0,0,1|0,0,2]=3 1280 B13R1.156 CC/C=C\CC(=O)Cc1cccs1 1458a_100000210189_100103147603 [0,0,0,0,0,1|0,1,2]=4 1281 B13R1.156 CCC#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100009813939 [0,0,0,0,0,1|1,0,2]=4 1282 B13R1.156 CCC#CCC(=O)Cc1ccco1 1458a_100011217309_100009813939 [0,0,0,0,0,1|0,0,2]=3 1283 B13R1.156 CCC#CCC(=O)Cc1cccs1 1458a_100000210189_100009813939 [0,0,0,0,0,1|0,1,2]=4 1284 B13R1.156 CCCC#CC(=O)Cc1ncco1 1458a_200011218047_103436540062 [0,0,0,0,0,1|1,0,2]=4 1285 B13R1.156 CCCC=CC(=O)Cc1ncco1 1458a_100000212230_103436540062 [0,0,0,0,0,1|1,0,2]=4 1286 B13R1.156 CCCCCC(=O)CC1=CCCC1 1458a_100000050221_100000210326 [0,0,0,0,0,1|1,0,2]=4 1287 B13R1.156 CCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210326 [0,0,0,0,0,1|1,0,2]=4 1288 B13R1.156 CCCCCC(=O)CC1CC=CC1 1458a_200000137526_100000210326 [0,0,0,0,0,1|1,0,2]=4 1289 B13R1.156 CCCCCC(=O)CN1CC=CC1 269982a_100015195280_200012276598 [0,0,0,0,0,1|2,0,1]=4 1290 B13R1.156 CCCCCC(=O)Cc1c[nH]cn1 1458a_100000212188_100000707719 [0,0,0,0,0,1|2,0,0]=3 1291 B13R1.156 CCCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210326 [0,0,0,0,0,1|2,0,0]=3 1292 B13R1.156 CCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210326 [0,0,0,0,0,1|1,0,0]=2 1293 B13R1.156 CCCCCC(=O)Cc1ccco1 1458a_100011217309_100000210326 [0,0,0,0,0,1|0,0,0]=1 1294 B13R1.156 CCCCCC(=O)Cc1cccs1 1458a_100000210189_100000210326 [0,0,0,0,0,1|0,1,0]=2 1295 B13R1.156 CCCCCC(=O)Cc1ccn[nH]1 1458a_100000212188_100000728653 [0,0,0,0,0,1|2,0,0]=3 1296 B13R1.156 CCCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210326 [0,0,0,0,0,1|2,0,0]=3 1297 B13R1.156 CCCCCC(=O)Cc1ccoc1 1458a_100000684892_100000210326 [0,0,0,0,0,1|2,0,0]=3 1298 B13R1.156 CCCCCC(=O)Cc1ccon1 1458a_100000212188_100000234950 [0,0,0,0,0,1|2,0,0]=3 1299 B13R1.156 CCCCCC(=O)Cc1ccsc1 1458a_100000184062_100000210326 [0,0,0,0,0,1|2,0,0]=3 1300 B13R1.156 CCCCCC(=O)Cc1ccsc1 1458a_100000212188_100011233845 [0,0,0,0,0,1|2,0,0]=3 1301 B13R1.156 CCCCCC(=O)Cc1cncs1 1458a_100000212188_100015185245 [0,0,0,0,0,1|1,1,0]=3 1302 B13R1.156 CCCCCC(=O)Cc1cscn1 1458a_100000212188_100000205941 [0,0,0,0,0,1|2,0,0]=3 1303 B13R1.156 CCCCCC(=O)Cc1cscn1 1458a_100011438297_100000210326 [0,0,0,0,0,1|2,0,0]=3 1304 B13R1.156 CCCCCC(=O)Cc1ncco1 1458a_100000212188_103436540062 [0,0,0,0,0,1|1,0,0]=2 1305 B13R1.156 CCCCCC(=O)Cc1nccs1 1458a_100000212188_100015184050 [0,0,0,0,0,1|1,1,0]=3 1306 B13R1.156 CCCCCC(=O)Cn1cccc1 1458a_100011196272_100000210326 [0,0,0,0,0,1|2,0,0]=3 1307 B13R1.156 CCCCCC(=O)Cn1cccn1 1458a_100000233772_100000210326 [0,0,0,0,0,1|2,0,0]=3 1308 B13R1.156 CCCCCC(=O)Cn1ccnc1 1458a_100000739072_100000210326 [0,0,0,0,0,1|3,0,0]=4 1309 B13R1.156 CCCCCC(=O)Cn1ccnn1 1458a_100000080816_100000210326 [0,0,0,0,0,1|3,0,0]=4 1310 B13R1.156 CCCCCC(=O)Cn1cncn1 1458a_100000212188_200020645497 [0,0,0,0,0,1|3,0,0]=4 1311 B13R1.156 CCCCCC(=O)Cn1cncn1 1458a_100000699347_100000210326 [0,0,0,0,0,1|3,0,0]=4 1312 B13R1.156 CCCCCC(=O)Cn1nccn1 1458a_100000080817_100000210326 [0,0,0,0,0,1|3,0,0]=4 1313 B13R1.156 CCCCCC(=O)NC1C=CN=N1 11a_100134613517_100000212188 [0,0,0,0,0,1|2,0,1]=4 1314 B13R1.156 CCCCCC(=O)NC1C=CN=N1 240690a_100134613517_100000212188 [0,0,0,0,0,1|2,0,1]=4 1315 B13R1.156 CCCCCC(=O)NC1CC=CC1 11a_100015188752_100000212188 [0,0,0,0,0,1|1,0,2]=4 1316 B13R1.156 CCCCCC(=O)NC1CC=CC1 1626a_100015188752_100000212188 [0,0,0,0,0,1|1,0,2]=4 1317 B13R1.156 CCCCCC(=O)NC1CC=CC1 240690a_100015188752_100000212188 [0,0,0,0,0,1|1,0,2]=4 1318 B13R1.156 CCCCCC(=O)NC1CC=CC1 527a_100015188752_100000212188 [0,0,0,0,0,1|1,0,2]=4 1319 B13R1.156 CCCCCC(C)Sc1ccco1 62a_100009814098_200011218191 [0,0,0,0,0,1|1,0,1]=3 1320 B13R1.156 CCCCCC(C)Sc1ccco1 62a_200011218191_100009814098 [0,0,0,0,0,1|1,0,1]=3 1321 B13R1.156 CCCCCC(C)Sc1cccs1 62a_100011215356_200011218191 [0,0,0,0,0,1|1,1,1]=4 1322 B13R1.156 CCCCCC(C)Sc1cccs1 62a_200011218191_100011215356 [0,0,0,0,0,1|1,1,1]=4 1323 B13R1.156 CCCCCC(C)Sc1cnco1 62a_100020591547_200011218191 [0,0,0,0,0,1|2,0,1]=4 1324 B13R1.156 CCCCCC(C)Sc1cnco1 62a_200011218191_100020591547 [0,0,0,0,0,1|2,0,1]=4 1325 B13R1.156 CCCCCC(C)Sc1ncco1 62a_100011787736_200011218191 [0,0,0,0,0,1|2,0,1]=4 1326 B13R1.156 CCCCCC(C)Sc1ncco1 62a_200011218191_100011787736 [0,0,0,0,0,1|2,0,1]=4 1327 B13R1.156 CCCCCN(C)Cc1ccco1 2230a_100000185268_100000210326 [0,0,0,0,0,1|2,0,0]=3 1328 B13R1.156 CCCCCN(C)Cc1ccco1 269982a_100000185268_100000210215 [0,0,0,0,0,1|2,0,0]=3 1329 B13R1.156 CCCCCN(C)Cc1ccco1 270004a_100000223495_100000186105 [0,0,0,0,0,1|2,0,0]=3 1330 B13R1.156 CCCCCN(C)Cc1cccs1 2230a_100000184426_100000210326 [0,0,0,0,0,1|2,1,0]=4 1331 B13R1.156 CCCCCN(C)Cc1cccs1 269982a_100000184426_100000210215 [0,0,0,0,0,1|2,1,0]=4 1332 B13R1.156 CCCCCN(C)Cc1cccs1 270004a_100000223495_100000209959 [0,0,0,0,0,1|2,1,0]=4 1333 B13R1.156 CCCCCN(C)Cc1cnco1 270004a_100000223495_100000064291 [0,0,0,0,0,1|3,0,0]=4 1334 B13R1.156 CCCCCN(C)Cc1ncco1 2230a_100000223495_103436540062 [0,0,0,0,0,1|3,0,0]=4 1335 B13R1.156 CCCCCN(C)Cc1ncco1 269982a_100000223495_103436540062 [0,0,0,0,0,1|3,0,0]=4 1336 B13R1.156 CCCCCN(C)Cc1ncco1 270004a_100000223495_100000064290 [0,0,0,0,0,1|3,0,0]=4 1337 B13R1.156 CCCCNC(=O)Cc1c[nH]cn1 240690a_100000102301_100015291406 [0,0,0,0,0,1|3,0,0]=4 1338 B13R1.156 CCCCNC(=O)Cc1ccc[nH]1 11a_100000102301_100000238377 [0,0,0,0,0,1|2,0,0]=3 1339 B13R1.156 CCCCNC(=O)Cc1ccc[nH]1 240690a_100000102301_100000238377 [0,0,0,0,0,1|2,0,0]=3 1340 B13R1.156 CCCCNC(=O)Cc1ccc[nH]1 527a_100000102301_100000238377 [0,0,0,0,0,1|2,0,0]=3 1341 B13R1.156 CCCCNC(=O)Cc1ccco1 11a_100000102301_100011217309 [0,0,0,0,0,1|1,0,0]=2 1342 B13R1.156 CCCCNC(=O)Cc1ccco1 527a_100000102301_100011217309 [0,0,0,0,0,1|1,0,0]=2 1343 B13R1.156 CCCCNC(=O)Cc1cccs1 11a_100000102301_100000210189 [0,0,0,0,0,1|1,1,0]=3 1344 B13R1.156 CCCCNC(=O)Cc1cccs1 1626a_100000102301_100000210189 [0,0,0,0,0,1|1,1,0]=3 1345 B13R1.156 CCCCNC(=O)Cc1cccs1 240690a_100000102301_100000210189 [0,0,0,0,0,1|1,1,0]=3 1346 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 11a_100000102301_100000752941 [0,0,0,0,0,1|3,0,0]=4 1347 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 1626a_100000102301_100000752941 [0,0,0,0,0,1|3,0,0]=4 1348 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 240690a_100000102301_100000752941 [0,0,0,0,0,1|3,0,0]=4 1349 B13R1.156 CCCCNC(=O)Cc1ccn[nH]1 527a_100000102301_100000752941 [0,0,0,0,0,1|3,0,0]=4 1350 B13R1.156 CCCCNC(=O)Cc1ccoc1 11a_100000102301_100000684892 [0,0,0,0,0,1|3,0,0]=4 1351 B13R1.156 CCCCNC(=O)Cc1ccoc1 1626a_100000102301_100000684892 [0,0,0,0,0,1|3,0,0]=4 1352 B13R1.156 CCCCNC(=O)Cc1ccoc1 240690a_100000102301_100000684892 [0,0,0,0,0,1|3,0,0]=4 1353 B13R1.156 CCCCNC(=O)Cc1ccoc1 527a_100000102301_100000684892 [0,0,0,0,0,1|3,0,0]=4 1354 B13R1.156 CCCCNC(=O)Cc1ccsc1 11a_100000102301_100000184062 [0,0,0,0,0,1|3,0,0]=4 1355 B13R1.156 CCCCNC(=O)Cc1ccsc1 1626a_100000102301_100000184062 [0,0,0,0,0,1|3,0,0]=4 1356 B13R1.156 CCCCNC(=O)Cc1ccsc1 240690a_100000102301_100000184062 [0,0,0,0,0,1|3,0,0]=4 1357 B13R1.156 CCCCNC(=O)Cc1ccsc1 527a_100000102301_100000184062 [0,0,0,0,0,1|3,0,0]=4 1358 B13R1.156 CCCCNC(=O)Cc1cscn1 11a_100000102301_100011438297 [0,0,0,0,0,1|3,0,0]=4 1359 B13R1.156 CCCCNC(=O)Cc1cscn1 1626a_100000102301_100011438297 [0,0,0,0,0,1|3,0,0]=4 1360 B13R1.156 CCCCNC(=O)Cc1cscn1 240690a_100000102301_100011438297 [0,0,0,0,0,1|3,0,0]=4 1361 B13R1.156 CCCCNC(=O)Cc1cscn1 527a_100000102301_100011438297 [0,0,0,0,0,1|3,0,0]=4 1362 B13R1.156 CCCCNC(=O)Cn1cccc1 11a_100000102301_100011196272 [0,0,0,0,0,1|3,0,0]=4 1363 B13R1.156 CCCCNC(=O)Cn1cccc1 1626a_100000102301_100011196272 [0,0,0,0,0,1|3,0,0]=4 1364 B13R1.156 CCCCNC(=O)Cn1cccc1 527a_100000102301_100011196272 [0,0,0,0,0,1|3,0,0]=4 1365 B13R1.156 CCCCNC(=O)Cn1cccn1 11a_100000102301_100000233772 [0,0,0,0,0,1|3,0,0]=4 1366 B13R1.156 CCCCNC(=O)Cn1cccn1 1626a_100000102301_100000233772 [0,0,0,0,0,1|3,0,0]=4 1367 B13R1.156 CCCCNC(=O)Cn1cccn1 240690a_100000102301_100000233772 [0,0,0,0,0,1|3,0,0]=4 1368 B13R1.156 CCCCNC(=O)Cn1cccn1 527a_100000102301_100000233772 [0,0,0,0,0,1|3,0,0]=4 1369 B13R1.156 CCCCNC(C)Cc1ccco1 270004a_100000102301_100011216958 [0,0,0,0,0,1|2,0,1]=4 1370 B13R1.156 CCCCOC(C)Cc1ccco1 34a_100011803939_100000210210 [0,0,0,0,0,1|2,0,1]=4 1371 B13R1.156 CCCCOC(C)Cc1ccco1 7a_100011803939_100000210211 [0,0,0,0,0,1|2,0,1]=4 1372 B13R1.156 CCCNNC(=O)Cc1ccc[nH]1 22a_100000740057_100000238377 [0,0,0,0,0,1|3,0,0]=4 1373 B13R1.156 CCCNNC(=O)Cc1ccco1 22a_100000740057_100011217309 [0,0,0,0,0,1|2,0,0]=3 1374 B13R1.156 CCCNNC(=O)Cc1cccs1 22a_100000740057_100000210189 [0,0,0,0,0,1|2,1,0]=4 1375 B13R1.156 CCCOCC(=O)Cc1c[nH]cn1 1458a_100000745993_100000707719 [0,0,0,0,0,1|3,0,0]=4 1376 B13R1.156 CCCOCC(=O)Cc1ccn[nH]1 1458a_100000745993_100000728653 [0,0,0,0,0,1|3,0,0]=4 1377 B13R1.156 CCCOCC(=O)Cc1ccon1 1458a_100000745993_100000234950 [0,0,0,0,0,1|3,0,0]=4 1378 B13R1.156 CCCOCC(=O)Cc1ccsc1 1458a_100000745993_100011233845 [0,0,0,0,0,1|3,0,0]=4 1379 B13R1.156 CCCOCC(=O)Cc1cncs1 1458a_100000745993_100015185245 [0,0,0,0,0,1|2,1,0]=4 1380 B13R1.156 CCCOCC(=O)Cc1cscn1 1458a_100000745993_100000205941 [0,0,0,0,0,1|3,0,0]=4 1381 B13R1.156 CCCOCC(=O)Cc1ncco1 1458a_100000745993_103436540062 [0,0,0,0,0,1|2,0,0]=3 1382 B13R1.156 CCCOCC(=O)Cc1nccs1 1458a_100000745993_100015184050 [0,0,0,0,0,1|2,1,0]=4 1383 B13R1.156 CCCSCC(=O)Cc1c[nH]cn1 1458a_100000217233_100000707719 [0,0,0,0,0,1|3,0,0]=4 1384 B13R1.156 CCCSCC(=O)Cc1ccn[nH]1 1458a_100000217233_100000728653 [0,0,0,0,0,1|3,0,0]=4 1385 B13R1.156 CCCSCC(=O)Cc1ccon1 1458a_100000217233_100000234950 [0,0,0,0,0,1|3,0,0]=4 1386 B13R1.156 CCCSCC(=O)Cc1ccsc1 1458a_100000217233_100011233845 [0,0,0,0,0,1|3,0,0]=4 1387 B13R1.156 CCCSCC(=O)Cc1cncs1 1458a_100000217233_100015185245 [0,0,0,0,0,1|2,1,0]=4 1388 B13R1.156 CCCSCC(=O)Cc1cscn1 1458a_100000217233_100000205941 [0,0,0,0,0,1|3,0,0]=4 1389 B13R1.156 CCCSCC(=O)Cc1ncco1 1458a_100000217233_103436540062 [0,0,0,0,0,1|2,0,0]=3 1390 B13R1.156 CCCSCC(=O)Cc1nccs1 1458a_100000217233_100015184050 [0,0,0,0,0,1|2,1,0]=4 1391 B13R1.156 CCCSCC(=O)Nc1ccon1 62a_100000210303_100000239699 [0,0,0,0,0,1|3,0,0]=4 1392 B13R1.156 CCCSCC(=O)Nc1ccon1 62a_100000239699_100000210303 [0,0,0,0,0,1|3,0,0]=4 1393 B13R1.156 CCCSCC(=O)Nc1nccs1 62a_100000183294_100000210303 [0,0,0,0,0,1|2,1,0]=4 1394 B13R1.156 CCCSCC(=O)Nc1nccs1 62a_100000210303_100000183294 [0,0,0,0,0,1|2,1,0]=4 1395 B13R1.156 CCNCCC(=O)Nc1nccs1 2230a_100015525214_200011194430 [0,0,0,0,0,1|2,1,0]=4 1396 B13R1.156 CCOCCC(=O)Cc1c[nH]cn1 1458a_100000749530_100000707719 [0,0,0,0,0,1|3,0,0]=4 1397 B13R1.156 CCOCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100011215890 [0,0,0,0,0,1|3,0,0]=4 1398 B13R1.156 CCOCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011215890 [0,0,0,0,0,1|2,0,0]=3 1399 B13R1.156 CCOCCC(=O)Cc1ccco1 1458a_100011217309_100011215890 [0,0,0,0,0,1|1,0,0]=2 1400 B13R1.156 CCOCCC(=O)Cc1cccs1 1458a_100000210189_100011215890 [0,0,0,0,0,1|1,1,0]=3 1401 B13R1.156 CCOCCC(=O)Cc1ccn[nH]1 1458a_100000749530_100000728653 [0,0,0,0,0,1|3,0,0]=4 1402 B13R1.156 CCOCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100011215890 [0,0,0,0,0,1|3,0,0]=4 1403 B13R1.156 CCOCCC(=O)Cc1ccoc1 1458a_100000684892_100011215890 [0,0,0,0,0,1|3,0,0]=4 1404 B13R1.156 CCOCCC(=O)Cc1ccon1 1458a_100000749530_100000234950 [0,0,0,0,0,1|3,0,0]=4 1405 B13R1.156 CCOCCC(=O)Cc1ccsc1 1458a_100000184062_100011215890 [0,0,0,0,0,1|3,0,0]=4 1406 B13R1.156 CCOCCC(=O)Cc1ccsc1 1458a_100000749530_100011233845 [0,0,0,0,0,1|3,0,0]=4 1407 B13R1.156 CCOCCC(=O)Cc1cncs1 1458a_100000749530_100015185245 [0,0,0,0,0,1|2,1,0]=4 1408 B13R1.156 CCOCCC(=O)Cc1cscn1 1458a_100000749530_100000205941 [0,0,0,0,0,1|3,0,0]=4 1409 B13R1.156 CCOCCC(=O)Cc1cscn1 1458a_100011438297_100011215890 [0,0,0,0,0,1|3,0,0]=4 1410 B13R1.156 CCOCCC(=O)Cc1ncco1 1458a_100000749530_103436540062 [0,0,0,0,0,1|2,0,0]=3 1411 B13R1.156 CCOCCC(=O)Cc1nccs1 1458a_100000749530_100015184050 [0,0,0,0,0,1|2,1,0]=4 1412 B13R1.156 CCOCCC(=O)Cn1cccc1 1458a_100011196272_100011215890 [0,0,0,0,0,1|3,0,0]=4 1413 B13R1.156 CCOCCC(=O)Cn1cccn1 1458a_100000233772_100011215890 [0,0,0,0,0,1|3,0,0]=4 1414 B13R1.156 CCOCCN(C)Cc1ccco1 2230a_100000185268_100011215890 [0,0,0,0,0,1|3,0,0]=4 1415 B13R1.156 CCOCCN(C)Cc1ccco1 269982a_100000185268_100011215890 [0,0,0,0,0,1|3,0,0]=4 1416 B13R1.156 CCSCCC(=O)Cc1c[nH]cn1 1458a_100000230768_100000707719 [0,0,0,0,0,1|3,0,0]=4 1417 B13R1.156 CCSCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000757381 [0,0,0,0,0,1|3,0,0]=4 1418 B13R1.156 CCSCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000757381 [0,0,0,0,0,1|2,0,0]=3 1419 B13R1.156 CCSCCC(=O)Cc1ccco1 1458a_100011217309_100000757381 [0,0,0,0,0,1|1,0,0]=2 1420 B13R1.156 CCSCCC(=O)Cc1cccs1 1458a_100000210189_100000757381 [0,0,0,0,0,1|1,1,0]=3 1421 B13R1.156 CCSCCC(=O)Cc1ccn[nH]1 1458a_100000230768_100000728653 [0,0,0,0,0,1|3,0,0]=4 1422 B13R1.156 CCSCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000757381 [0,0,0,0,0,1|3,0,0]=4 1423 B13R1.156 CCSCCC(=O)Cc1ccoc1 1458a_100000684892_100000757381 [0,0,0,0,0,1|3,0,0]=4 1424 B13R1.156 CCSCCC(=O)Cc1ccon1 1458a_100000230768_100000234950 [0,0,0,0,0,1|3,0,0]=4 1425 B13R1.156 CCSCCC(=O)Cc1ccsc1 1458a_100000184062_100000757381 [0,0,0,0,0,1|3,0,0]=4 1426 B13R1.156 CCSCCC(=O)Cc1ccsc1 1458a_100000230768_100011233845 [0,0,0,0,0,1|3,0,0]=4 1427 B13R1.156 CCSCCC(=O)Cc1cncs1 1458a_100000230768_100015185245 [0,0,0,0,0,1|2,1,0]=4 1428 B13R1.156 CCSCCC(=O)Cc1cscn1 1458a_100000230768_100000205941 [0,0,0,0,0,1|3,0,0]=4 1429 B13R1.156 CCSCCC(=O)Cc1cscn1 1458a_100011438297_100000757381 [0,0,0,0,0,1|3,0,0]=4 1430 B13R1.156 CCSCCC(=O)Cc1ncco1 1458a_100000230768_103436540062 [0,0,0,0,0,1|2,0,0]=3 1431 B13R1.156 CCSCCC(=O)Cc1nccs1 1458a_100000230768_100015184050 [0,0,0,0,0,1|2,1,0]=4 1432 B13R1.156 CCSCCC(=O)Cn1cccc1 1458a_100011196272_100000757381 [0,0,0,0,0,1|3,0,0]=4 1433 B13R1.156 CCSCCC(=O)Cn1cccn1 1458a_100000233772_100000757381 [0,0,0,0,0,1|3,0,0]=4 1434 B13R1.156 CCSCCC(=O)Nc1nccs1 62a_100000210202_200011194430 [0,0,0,0,0,1|2,1,0]=4 1435 B13R1.156 CCSCCN(C)Cc1ccco1 2230a_100000185268_100000757381 [0,0,0,0,0,1|3,0,0]=4 1436 B13R1.156 CCSCCN(C)Cc1ccco1 269982a_100000185268_100000757381 [0,0,0,0,0,1|3,0,0]=4 1437 B13R1.156 CN(CCCCF)Cc1ccco1 2230a_100000185268_100000729493 [0,0,0,0,0,1|3,0,0]=4 1438 B13R1.156 CN(CCCCF)Cc1ccco1 269982a_100000185268_100000729493 [0,0,0,0,0,1|3,0,0]=4 1439 B13R1.156 CN(CCCCO)Cc1ccco1 2230a_100000185268_100000210776 [0,0,0,0,0,1|3,0,0]=4 1440 B13R1.156 CN(CCCCO)Cc1ccco1 269982a_100000185268_100000210776 [0,0,0,0,0,1|3,0,0]=4 1441 B13R1.156 CN(CCCCO)Cc1ccco1 270004a_100000717598_100000186105 [0,0,0,0,0,1|3,0,0]=4 1442 B13R1.156 COCCCC(=O)Cc1c[nH]cn1 1458a_100000741012_100000707719 [0,0,0,0,0,1|3,0,0]=4 1443 B13R1.156 COCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000740836 [0,0,0,0,0,1|3,0,0]=4 1444 B13R1.156 COCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000740836 [0,0,0,0,0,1|2,0,0]=3 1445 B13R1.156 COCCCC(=O)Cc1ccco1 1458a_100011217309_100000740836 [0,0,0,0,0,1|1,0,0]=2 1446 B13R1.156 COCCCC(=O)Cc1cccs1 1458a_100000210189_100000740836 [0,0,0,0,0,1|1,1,0]=3 1447 B13R1.156 COCCCC(=O)Cc1ccn[nH]1 1458a_100000741012_100000728653 [0,0,0,0,0,1|3,0,0]=4 1448 B13R1.156 COCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000740836 [0,0,0,0,0,1|3,0,0]=4 1449 B13R1.156 COCCCC(=O)Cc1ccoc1 1458a_100000684892_100000740836 [0,0,0,0,0,1|3,0,0]=4 1450 B13R1.156 COCCCC(=O)Cc1ccon1 1458a_100000741012_100000234950 [0,0,0,0,0,1|3,0,0]=4 1451 B13R1.156 COCCCC(=O)Cc1ccsc1 1458a_100000184062_100000740836 [0,0,0,0,0,1|3,0,0]=4 1452 B13R1.156 COCCCC(=O)Cc1ccsc1 1458a_100000741012_100011233845 [0,0,0,0,0,1|3,0,0]=4 1453 B13R1.156 COCCCC(=O)Cc1cncs1 1458a_100000741012_100015185245 [0,0,0,0,0,1|2,1,0]=4 1454 B13R1.156 COCCCC(=O)Cc1cscn1 1458a_100000741012_100000205941 [0,0,0,0,0,1|3,0,0]=4 1455 B13R1.156 COCCCC(=O)Cc1cscn1 1458a_100011438297_100000740836 [0,0,0,0,0,1|3,0,0]=4 1456 B13R1.156 COCCCC(=O)Cc1ncco1 1458a_100000741012_103436540062 [0,0,0,0,0,1|2,0,0]=3 1457 B13R1.156 COCCCC(=O)Cc1nccs1 1458a_100000741012_100015184050 [0,0,0,0,0,1|2,1,0]=4 1458 B13R1.156 COCCCC(=O)Cn1cccc1 1458a_100011196272_100000740836 [0,0,0,0,0,1|3,0,0]=4 1459 B13R1.156 COCCCC(=O)Cn1cccn1 1458a_100000233772_100000740836 [0,0,0,0,0,1|3,0,0]=4 1460 B13R1.156 COCCCN(C)Cc1ccco1 2230a_100000185268_100000740836 [0,0,0,0,0,1|3,0,0]=4 1461 B13R1.156 COCCCN(C)Cc1ccco1 269982a_100000185268_100000740836 [0,0,0,0,0,1|3,0,0]=4 1462 B13R1.156 COCCCN(C)Cc1ccco1 270004a_100000224831_100000186105 [0,0,0,0,0,1|3,0,0]=4 1463 B13R1.156 COCCNC(=O)Cc1ccc[nH]1 240690a_100000209980_100000238377 [0,0,0,0,0,1|3,0,0]=4 1464 B13R1.156 COCCNC(=O)Cc1ccc[nH]1 527a_100000209980_100000238377 [0,0,0,0,0,1|3,0,0]=4 1465 B13R1.156 COCCNC(=O)Cc1ccco1 527a_100000209980_100011217309 [0,0,0,0,0,1|2,0,0]=3 1466 B13R1.156 COCCNC(=O)Cc1cccs1 1626a_100000209980_100000210189 [0,0,0,0,0,1|2,1,0]=4 1467 B13R1.156 COCCNC(=O)Cc1cccs1 240690a_100000209980_100000210189 [0,0,0,0,0,1|2,1,0]=4 1468 B13R1.156 CSCCCC(=O)Cc1c[nH]cn1 1458a_100000173376_100000707719 [0,0,0,0,0,1|3,0,0]=4 1469 B13R1.156 CSCCCC(=O)Cc1ccn[nH]1 1458a_100000173376_100000728653 [0,0,0,0,0,1|3,0,0]=4 1470 B13R1.156 CSCCCC(=O)Cc1ccon1 1458a_100000173376_100000234950 [0,0,0,0,0,1|3,0,0]=4 1471 B13R1.156 CSCCCC(=O)Cc1ccsc1 1458a_100000173376_100011233845 [0,0,0,0,0,1|3,0,0]=4 1472 B13R1.156 CSCCCC(=O)Cc1cncs1 1458a_100000173376_100015185245 [0,0,0,0,0,1|2,1,0]=4 1473 B13R1.156 CSCCCC(=O)Cc1cscn1 1458a_100000173376_100000205941 [0,0,0,0,0,1|3,0,0]=4 1474 B13R1.156 CSCCCC(=O)Cc1ncco1 1458a_100000173376_103436540062 [0,0,0,0,0,1|2,0,0]=3 1475 B13R1.156 CSCCCC(=O)Cc1nccs1 1458a_100000173376_100015184050 [0,0,0,0,0,1|2,1,0]=4 1476 B13R1.156 CSCCNC(=O)Cc1ccc[nH]1 11a_100020590264_100000238377 [0,0,0,0,0,1|3,0,0]=4 1477 B13R1.156 CSCCNC(=O)Cc1ccc[nH]1 240690a_100020590264_100000238377 [0,0,0,0,0,1|3,0,0]=4 1478 B13R1.156 CSCCNC(=O)Cc1ccc[nH]1 527a_100020590264_100000238377 [0,0,0,0,0,1|3,0,0]=4 1479 B13R1.156 CSCCNC(=O)Cc1ccco1 11a_100020590264_100011217309 [0,0,0,0,0,1|2,0,0]=3 1480 B13R1.156 CSCCNC(=O)Cc1ccco1 527a_100020590264_100011217309 [0,0,0,0,0,1|2,0,0]=3 1481 B13R1.156 CSCCNC(=O)Cc1cccs1 11a_100020590264_100000210189 [0,0,0,0,0,1|2,1,0]=4 1482 B13R1.156 CSCCNC(=O)Cc1cccs1 1626a_100020590264_100000210189 [0,0,0,0,0,1|2,1,0]=4 1483 B13R1.156 CSCCNC(=O)Cc1cccs1 240690a_100020590264_100000210189 [0,0,0,0,0,1|2,1,0]=4 1484 B13R1.156 N#CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000211468 [0,0,0,0,0,1|2,0,1]=4 1485 B13R1.156 N#CCCCC(=O)Cc1ccco1 1458a_100011217309_100000211468 [0,0,0,0,0,1|1,0,1]=3 1486 B13R1.156 N#CCCCC(=O)Cc1cccs1 1458a_100000210189_100000211468 [0,0,0,0,0,1|1,1,1]=4 1487 B13R1.156 N#CCCCC(=O)Cc1ncco1 1458a_100000075515_103436540062 [0,0,0,0,0,1|2,0,1]=4 1488 B13R1.156 N#CCCNC(=O)Cc1ccco1 11a_100000720768_100011217309 [0,0,0,0,0,1|2,0,1]=4 1489 B13R1.156 N#CCCNC(=O)Cc1ccco1 527a_100000720768_100011217309 [0,0,0,0,0,1|2,0,1]=4 1490 B13R1.156 O=C(CC#CCO)Cc1ccco1 1458a_100011217309_200000047223 [0,0,0,0,0,1|1,0,2]=4 1491 B13R1.156 O=C(CCCCF)Cc1c[nH]cn1 1458a_100015291406_100000729493 [0,0,0,0,0,1|3,0,0]=4 1492 B13R1.156 O=C(CCCCF)Cc1ccc[nH]1 1458a_100000238377_100000729493 [0,0,0,0,0,1|2,0,0]=3 1493 B13R1.156 O=C(CCCCF)Cc1ccco1 1458a_100011217309_100000729493 [0,0,0,0,0,1|1,0,0]=2 1494 B13R1.156 O=C(CCCCF)Cc1cccs1 1458a_100000210189_100000729493 [0,0,0,0,0,1|1,1,0]=3 1495 B13R1.156 O=C(CCCCF)Cc1ccn[nH]1 1458a_100000752941_100000729493 [0,0,0,0,0,1|3,0,0]=4 1496 B13R1.156 O=C(CCCCF)Cc1ccoc1 1458a_100000684892_100000729493 [0,0,0,0,0,1|3,0,0]=4 1497 B13R1.156 O=C(CCCCF)Cc1ccsc1 1458a_100000184062_100000729493 [0,0,0,0,0,1|3,0,0]=4 1498 B13R1.156 O=C(CCCCF)Cc1cscn1 1458a_100011438297_100000729493 [0,0,0,0,0,1|3,0,0]=4 1499 B13R1.156 O=C(CCCCF)Cn1cccc1 1458a_100011196272_100000729493 [0,0,0,0,0,1|3,0,0]=4 1500 B13R1.156 O=C(CCCCF)Cn1cccn1 1458a_100000233772_100000729493 [0,0,0,0,0,1|3,0,0]=4 1501 B13R1.156 O=C(CCCCO)Cc1c[nH]cn1 1458a_100000695505_100000707719 [0,0,0,0,0,1|3,0,0]=4 1502 B13R1.156 O=C(CCCCO)Cc1c[nH]cn1 1458a_100015291406_100000210776 [0,0,0,0,0,1|3,0,0]=4 1503 B13R1.156 O=C(CCCCO)Cc1ccc[nH]1 1458a_100000238377_100000210776 [0,0,0,0,0,1|2,0,0]=3 1504 B13R1.156 O=C(CCCCO)Cc1ccco1 1458a_100011217309_100000210776 [0,0,0,0,0,1|1,0,0]=2 1505 B13R1.156 O=C(CCCCO)Cc1cccs1 1458a_100000210189_100000210776 [0,0,0,0,0,1|1,1,0]=3 1506 B13R1.156 O=C(CCCCO)Cc1ccn[nH]1 1458a_100000695505_100000728653 [0,0,0,0,0,1|3,0,0]=4 1507 B13R1.156 O=C(CCCCO)Cc1ccn[nH]1 1458a_100000752941_100000210776 [0,0,0,0,0,1|3,0,0]=4 1508 B13R1.156 O=C(CCCCO)Cc1ccoc1 1458a_100000684892_100000210776 [0,0,0,0,0,1|3,0,0]=4 1509 B13R1.156 O=C(CCCCO)Cc1ccon1 1458a_100000695505_100000234950 [0,0,0,0,0,1|3,0,0]=4 1510 B13R1.156 O=C(CCCCO)Cc1ccsc1 1458a_100000184062_100000210776 [0,0,0,0,0,1|3,0,0]=4 1511 B13R1.156 O=C(CCCCO)Cc1ccsc1 1458a_100000695505_100011233845 [0,0,0,0,0,1|3,0,0]=4 1512 B13R1.156 O=C(CCCCO)Cc1cncs1 1458a_100000695505_100015185245 [0,0,0,0,0,1|2,1,0]=4 1513 B13R1.156 O=C(CCCCO)Cc1cscn1 1458a_100000695505_100000205941 [0,0,0,0,0,1|3,0,0]=4 1514 B13R1.156 O=C(CCCCO)Cc1cscn1 1458a_100011438297_100000210776 [0,0,0,0,0,1|3,0,0]=4 1515 B13R1.156 O=C(CCCCO)Cc1ncco1 1458a_100000695505_103436540062 [0,0,0,0,0,1|2,0,0]=3 1516 B13R1.156 O=C(CCCCO)Cc1nccs1 1458a_100000695505_100015184050 [0,0,0,0,0,1|2,1,0]=4 1517 B13R1.156 O=C(CCCCO)Cn1cccc1 1458a_100011196272_100000210776 [0,0,0,0,0,1|3,0,0]=4 1518 B13R1.156 O=C(CCCCO)Cn1cccn1 1458a_100000233772_100000210776 [0,0,0,0,0,1|3,0,0]=4 1519 B13R1.156 O=C(COCCO)Cc1ncco1 1458a_100000708028_103436540062 [0,0,0,0,0,1|3,0,0]=4 1520 B13R1.156 O=C(Cc1ccc[nH]1)NCCCF 11a_100015189416_100000238377 [0,0,0,0,0,1|3,0,0]=4 1521 B13R1.156 O=C(Cc1ccc[nH]1)NCCCF 240690a_100015189416_100000238377 [0,0,0,0,0,1|3,0,0]=4 1522 B13R1.156 O=C(Cc1ccc[nH]1)NCCCF 527a_100015189416_100000238377 [0,0,0,0,0,1|3,0,0]=4 1523 B13R1.156 O=C(Cc1ccc[nH]1)NCCCO 240690a_100000182051_100000238377 [0,0,0,0,0,1|3,0,0]=4 1524 B13R1.156 O=C(Cc1ccc[nH]1)NCCCO 527a_100000182051_100000238377 [0,0,0,0,0,1|3,0,0]=4 1525 B13R1.156 O=C(Cc1ccco1)NCCCF 11a_100015189416_100011217309 [0,0,0,0,0,1|2,0,0]=3 1526 B13R1.156 O=C(Cc1ccco1)NCCCF 527a_100015189416_100011217309 [0,0,0,0,0,1|2,0,0]=3 1527 B13R1.156 O=C(Cc1ccco1)NCCCO 527a_100000182051_100011217309 [0,0,0,0,0,1|2,0,0]=3 1528 B13R1.156 O=C(Cc1ccco1)NNCCO 22a_100000210001_100011217309 [0,0,0,0,0,1|3,0,0]=4 1529 B13R1.156 O=C(Cc1cccs1)NCCCF 11a_100015189416_100000210189 [0,0,0,0,0,1|2,1,0]=4 1530 B13R1.156 O=C(Cc1cccs1)NCCCF 1626a_100015189416_100000210189 [0,0,0,0,0,1|2,1,0]=4 1531 B13R1.156 O=C(Cc1cccs1)NCCCF 240690a_100015189416_100000210189 [0,0,0,0,0,1|2,1,0]=4 1532 B13R1.156 O=C(Cc1cccs1)NCCCO 240690a_100000182051_100000210189 [0,0,0,0,0,1|2,1,0]=4 1533 B10R0.91 C#CCCCC(=O)C=CC=C 1458a_100016291481_100000731252 [1,0,1,0,0,0|0,0,2]=4 1534 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [1,0,1,0,0,0|1,0,0]=3 1535 B10R0.91 C/C=C/C=CC(=O)CCCF 1458a_100000185730_100011934791 [1,0,1,0,0,0|2,0,0]=4 1536 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [1,0,1,0,0,0|2,0,0]=4 1537 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [1,0,1,0,0,0|2,0,0]=4 1538 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [1,0,1,0,0,0|2,0,0]=4 1539 B10R0.91 C/C=C/C=CC(=O)NCCC 11a_100020643023_100000185730 [1,0,1,0,0,0|2,0,0]=4 1540 B10R0.91 C/C=C/C=CC(=O)NCCC 1626a_100020643023_100000185730 [1,0,1,0,0,0|2,0,0]=4 1541 B10R0.91 C/C=C/C=CC(=O)NCCC 240690a_100020643023_100000185730 [1,0,1,0,0,0|2,0,0]=4 1542 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,0,1,0,0,0|0,0,2]=4 1543 B10R0.91 C=CC=CC(=O)C/C=C\CC 1458a_100016291481_100103147603 [1,0,1,0,0,0|0,0,2]=4 1544 B10R0.91 C=CC=CC(=O)CC#CCC 1458a_100016291481_100009813939 [1,0,1,0,0,0|0,0,2]=4 1545 B10R0.91 C=CC=CC(=O)CCCC#N 1458a_100016291481_100000211468 [1,0,1,0,0,0|1,0,1]=4 1546 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [1,0,1,0,0,0|0,0,2]=4 1547 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [1,0,1,0,0,0|0,0,0]=2 1548 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [1,0,1,0,0,0|1,0,0]=3 1549 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [1,0,1,0,0,0|1,0,0]=3 1550 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [1,0,1,0,0,0|1,0,0]=3 1551 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [1,0,1,0,0,0|1,0,0]=3 1552 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [1,0,1,0,0,0|1,0,0]=3 1553 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [1,0,1,0,0,0|1,0,0]=3 1554 B10R0.91 C=CC=CC(=O)NCCCF 1626a_100015189416_100016291481 [1,0,1,0,0,0|2,0,0]=4 1555 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [1,0,1,0,0,0|2,0,0]=4 1556 B10R0.91 C=CC=CC(=O)NCCSC 1626a_100020590264_100016291481 [1,0,1,0,0,0|2,0,0]=4 1557 B10R0.91 C=CC=CC(=O)NNCCC 22a_100000740057_100016291481 [1,0,1,0,0,0|2,0,0]=4 1558 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,0,1,0,0,0|0,0,2]=4 1559 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,0,1,0,0,0|0,0,2]=4 1560 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,0,1,0,0,0|1,0,1]=4 1561 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,0,1,0,0,0|1,0,1]=4 1562 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,0,1,0,0,0|1,0,1]=4 1563 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [1,0,1,0,0,0|1,0,1]=4 1564 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [1,0,1,0,0,0|1,0,1]=4 1565 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [1,0,1,0,0,0|1,0,1]=4 1566 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,0,1,0,0,0|0,0,2]=4 1567 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,0,1,0,0,0|0,0,2]=4 1568 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,0,1,0,0,0|0,0,2]=4 1569 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,0,1,0,0,0|1,0,1]=4 1570 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [1,0,1,0,0,0|0,0,2]=4 1571 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [1,0,1,0,0,0|0,0,2]=4 1572 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [2,0,0,0,0,0|0,0,1]=3 1573 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [2,0,0,0,0,0|0,1,1]=4 1574 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [2,0,0,0,0,0|1,0,1]=4 1575 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [2,0,0,0,0,0|1,0,1]=4 1576 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [2,0,0,0,0,0|1,0,0]=3 1577 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [2,0,0,0,0,0|1,0,0]=3 1578 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [2,0,0,0,0,0|1,1,0]=4 1579 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [2,0,0,0,0,0|1,1,0]=4 1580 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [2,0,0,0,0,0|2,0,0]=4 1581 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [2,0,0,0,0,0|2,0,0]=4 1582 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [2,0,0,0,0,0|2,0,0]=4 1583 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [2,0,0,0,0,0|2,0,0]=4 1584 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [2,0,0,0,0,0|1,0,0]=3 1585 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [2,0,0,0,0,0|1,0,0]=3 1586 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [2,0,0,0,0,0|1,0,0]=3 1587 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [2,0,0,0,0,0|1,0,0]=3 1588 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [2,0,0,0,0,0|1,1,0]=4 1589 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [2,0,0,0,0,0|1,1,0]=4 1590 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [2,0,0,0,0,0|1,1,0]=4 1591 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [2,0,0,0,0,0|2,0,0]=4 1592 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [2,0,0,0,0,0|2,0,0]=4 1593 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [2,0,0,0,0,0|2,0,0]=4 1594 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [2,0,0,0,0,0|1,0,0]=3 1595 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [2,0,0,0,0,0|1,1,0]=4 1596 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [2,0,0,0,0,0|2,0,0]=4 1597 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [2,0,0,0,0,0|2,0,0]=4 1598 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [2,0,0,0,0,0|2,0,0]=4 1599 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [2,0,0,0,0,0|2,0,0]=4 1600 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [2,0,0,0,0,0|2,0,0]=4 1601 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [2,0,0,0,0,0|1,0,0]=3 1602 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [2,0,0,0,0,0|1,0,0]=3 1603 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [2,0,0,0,0,0|1,1,0]=4 1604 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [2,0,0,0,0,0|1,1,0]=4 1605 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [2,0,0,0,0,0|1,1,0]=4 1606 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [2,0,0,0,0,0|2,0,0]=4 1607 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [2,0,0,0,0,0|1,0,1]=4 1608 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [2,0,0,0,0,0|1,1,0]=4 1609 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [2,0,0,0,0,0|1,1,0]=4 1610 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [2,0,0,0,0,0|1,1,0]=4 1611 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [2,0,0,0,0,0|2,0,0]=4 1612 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [2,0,0,0,0,0|2,0,0]=4 1613 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [2,0,0,0,0,0|1,1,0]=4 1614 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [2,0,0,0,0,0|1,1,0]=4 1615 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [2,0,0,0,0,0|1,0,1]=4 1616 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [2,0,0,0,0,0|1,1,0]=4 1617 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [2,0,0,0,0,0|1,1,0]=4 1618 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [2,0,0,0,0,0|1,1,0]=4 1619 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [2,0,0,0,0,0|1,0,1]=4 1620 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [2,0,0,0,0,0|1,1,0]=4 1621 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [2,0,0,0,0,0|1,1,0]=4 1622 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [2,0,0,0,0,0|1,1,0]=4 1623 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [2,0,0,0,0,0|2,0,0]=4 1624 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [2,0,0,0,0,0|2,0,0]=4 1625 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [2,0,0,0,0,0|2,0,0]=4 1626 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [2,0,0,0,0,0|1,1,0]=4 1627 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [2,0,0,0,0,0|1,1,0]=4 1628 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [2,0,0,0,0,0|2,0,0]=4 1629 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [2,0,0,0,0,0|2,0,0]=4 1630 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [2,0,0,0,0,0|2,0,0]=4 1631 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [2,0,0,0,0,0|2,0,0]=4 1632 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [2,0,0,0,0,0|2,0,0]=4 1633 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [2,0,0,0,0,0|2,0,0]=4 1634 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [2,0,0,0,0,0|2,0,0]=4 1635 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [2,0,0,0,0,0|2,0,0]=4 1636 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [2,0,0,0,0,0|2,0,0]=4 1637 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [2,0,0,0,0,0|2,0,0]=4 1638 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [2,0,0,0,0,0|2,0,0]=4 1639 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [2,0,0,0,0,0|2,0,0]=4 1640 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [2,0,0,0,0,0|2,0,0]=4 1641 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [2,0,0,0,0,0|2,0,0]=4 1642 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [2,0,0,0,0,0|2,0,0]=4 1643 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [2,0,0,0,0,0|2,0,0]=4 1644 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [2,0,0,0,0,0|2,0,0]=4 1645 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [2,0,0,0,0,0|2,0,0]=4 1646 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [2,0,0,0,0,0|1,1,0]=4 1647 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [2,0,0,0,0,0|1,1,0]=4 1648 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [2,0,0,0,0,0|1,1,0]=4 1649 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [2,0,0,0,0,0|1,1,0]=4 1650 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [2,0,0,0,0,0|2,0,0]=4 1651 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [2,0,0,0,0,0|1,0,0]=3 1652 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [2,0,0,0,0,0|1,1,0]=4 1653 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [2,0,0,0,0,0|1,1,0]=4 1654 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [2,0,0,0,0,0|2,0,0]=4 1655 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [2,0,0,0,0,0|2,0,0]=4 1656 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [2,0,0,0,0,0|1,0,0]=3 1657 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [2,0,0,0,0,0|1,0,0]=3 1658 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [2,0,0,0,0,0|1,1,0]=4 1659 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [2,0,0,0,0,0|1,1,0]=4 1660 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [2,0,0,0,0,0|2,0,0]=4 1661 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [2,0,0,0,0,0|2,0,0]=4 1662 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [2,0,0,0,0,0|1,0,0]=3 1663 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [2,0,0,0,0,0|1,0,0]=3 1664 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [2,0,0,0,0,0|1,1,0]=4 1665 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [2,0,0,0,0,0|1,1,0]=4 1666 B12R0.47 C#CCCCCC(=O)C=C/C=C/C 1458a_100000185730_100010269958 [0,1,1,0,0,0|1,0,1]=4 1667 B12R0.47 C/C=C/C=CC(=O)CC/C=C\CC 1458a_100000185730_100015370543 [0,1,1,0,0,0|1,0,1]=4 1668 B12R0.47 C/C=C/C=CC(=O)CCCCC#N 1458a_100000185730_100000211819 [0,1,1,0,0,0|1,0,1]=4 1669 B12R0.47 C/C=C/C=CC(=O)CCCCCC 1458a_100000185730_100000210757 [0,1,1,0,0,0|1,0,0]=3 1670 B12R0.47 C/C=C/C=CC(=O)CCCCCF 1458a_100000185730_100000729378 [0,1,1,0,0,0|1,0,0]=3 1671 B12R0.47 C/C=C/C=CC(=O)CCCCCO 1458a_100000185730_100000746330 [0,1,1,0,0,0|1,0,0]=3 1672 B12R0.47 C/C=C/C=CC(=O)CCCCOC 1458a_100000185730_100000755781 [0,1,1,0,0,0|1,0,0]=3 1673 B12R0.47 C/C=C/C=CC(=O)CCCOCC 1458a_100000185730_100012232248 [0,1,1,0,0,0|1,0,0]=3 1674 B12R0.47 C/C=C/C=CC(=O)CCOCCC 1458a_100000185730_100011215938 [0,1,1,0,0,0|1,0,0]=3 1675 B12R0.47 C/C=C/C=CC(=O)CCOCCO 1458a_100000185730_100011215305 [0,1,1,0,0,0|2,0,0]=4 1676 B12R0.47 C/C=C/C=CC(=O)COCCCC 1458a_100000185730_100011995733 [0,1,1,0,0,0|1,0,0]=3 1677 B12R0.47 C/C=C/C=CC(=O)NCCCCC 11a_100000209983_100000185730 [0,1,1,0,0,0|1,0,0]=3 1678 B12R0.47 C/C=C/C=CC(=O)NCCCCC 1626a_100000209983_100000185730 [0,1,1,0,0,0|1,0,0]=3 1679 B12R0.47 C/C=C/C=CC(=O)NCCCCC 240690a_100000209983_100000185730 [0,1,1,0,0,0|1,0,0]=3 1680 B12R0.47 C/C=C/C=CC(=O)NCCCCO 240690a_100000750430_100000185730 [0,1,1,0,0,0|2,0,0]=4 1681 B12R0.47 C/C=C/C=CC(=O)NCCCOC 1626a_100150723488_100000185730 [0,1,1,0,0,0|2,0,0]=4 1682 B12R0.47 C/C=C/C=CC(=O)NCCCOC 240690a_100150723488_100000185730 [0,1,1,0,0,0|2,0,0]=4 1683 B12R0.47 C/C=C/C=CC(=O)NCCCSC 11a_100000749238_100000185730 [0,1,1,0,0,0|2,0,0]=4 1684 B12R0.47 C/C=C/C=CC(=O)NCCCSC 1626a_100000749238_100000185730 [0,1,1,0,0,0|2,0,0]=4 1685 B12R0.47 C/C=C/C=CC(=O)NCCCSC 240690a_100000749238_100000185730 [0,1,1,0,0,0|2,0,0]=4 1686 B12R0.47 C/C=C/C=CC(=O)NCCOCC 11a_100011200944_100000185730 [0,1,1,0,0,0|2,0,0]=4 1687 B12R0.47 C/C=C/C=CC(=O)NCCOCC 1626a_102516460346_100000185730 [0,1,1,0,0,0|2,0,0]=4 1688 B12R0.47 C/C=C/C=CC(=O)NCCOCC 240690a_100011200944_100000185730 [0,1,1,0,0,0|2,0,0]=4 1689 B12R0.47 C/C=C/C=CC(=O)NCCSCC 11a_100000106463_100000185730 [0,1,1,0,0,0|2,0,0]=4 1690 B12R0.47 C/C=C/C=CC(=O)NCCSCC 1626a_100000106463_100000185730 [0,1,1,0,0,0|2,0,0]=4 1691 B12R0.47 C/C=C/C=CC(=O)NCCSCC 240690a_100000106463_100000185730 [0,1,1,0,0,0|2,0,0]=4 1692 B12R0.47 C/C=C/C=CC(=O)NNCCCC 22a_100025702795_100000185730 [0,1,1,0,0,0|2,0,0]=4 1693 B12R0.47 C/C=C/COCC(=O)CCCCC 34a_100016270725_200012276598 [0,1,1,0,0,0|0,0,2]=4 1694 B12R0.47 C=CCCCCC(=O)C=C/C=C/C 1458a_100000185730_100011215482 [0,1,1,0,0,0|1,0,1]=4 1695 B12R0.47 C=CCCOCC(=O)CCCCC 34a_100011205117_200012276598 [0,1,1,0,0,0|0,0,2]=4 1696 B12R0.47 C=CCOCC(=O)NCCCCC 34a_200000210373_100000230301 [0,1,1,0,0,0|0,0,2]=4 1697 B12R0.47 C=CCOCCC(=O)CCCCC 1458a_200011217002_100000210326 [0,1,1,0,0,0|0,0,2]=4 1698 B12R0.142 C/C=C/C=CC(=O)NCC(C)CC 11a_100020588543_100000185730 [0,1,1,0,0,0|2,0,0]=4 1699 B12R0.142 C/C=C/C=CC(=O)NCC(C)CC 1626a_100020588543_100000185730 [0,1,1,0,0,0|2,0,0]=4 1700 B12R0.142 C/C=C/C=CC(=O)NCC(C)CC 240690a_100020588543_100000185730 [0,1,1,0,0,0|2,0,0]=4 1701 B12R0.142 C/C=C/C=CC(=O)NCC(O)CC 11a_100011218483_100000185730 [0,1,1,0,0,0|2,0,0]=4 1702 B12R0.142 C/C=C/C=CC(=O)NCC(O)CC 240690a_100011218483_100000185730 [0,1,1,0,0,0|2,0,0]=4 1703 B12R0.142 C=CC(=NNC(=O)CCCCC)C 4a_100000189784_200015361842 [0,1,1,0,0,0|2,0,0]=4 1704 B12R0.142 C=CC(=O)NCC(=O)CCCCC 1458a_200011222540_100000210326 [0,1,1,0,0,0|1,0,1]=4 1705 B12R0.142 C=CC(=O)NNC(=O)CCCCC 22a_100000189784_100000185746 [0,1,1,0,0,0|2,0,0]=4 1706 B12R0.142 C=CC(C)OCC(=O)CCCCC 34a_100000695699_200012276598 [0,1,1,0,0,0|0,0,2]=4 1707 B12R0.142 CC=C(C)C=CC(=O)CCCCC 1458a_100000692105_100000210326 [0,1,1,0,0,0|1,0,0]=3 1708 B12R0.142 CC=C(C)C=CC(=O)CCCCF 1458a_100000692105_100000729493 [0,1,1,0,0,0|2,0,0]=4 1709 B12R0.142 CC=C(C)C=CC(=O)CCCCO 1458a_100000692105_100000210776 [0,1,1,0,0,0|2,0,0]=4 1710 B12R0.142 CC=C(C)C=CC(=O)CCCOC 1458a_100000692105_100000740836 [0,1,1,0,0,0|2,0,0]=4 1711 B12R0.142 CC=C(C)C=CC(=O)CCOCC 1458a_100000692105_100011215890 [0,1,1,0,0,0|2,0,0]=4 1712 B12R0.142 CC=C(C)C=CC(=O)CCSCC 1458a_100000692105_100000757381 [0,1,1,0,0,0|2,0,0]=4 1713 B12R0.142 CC=C(C)C=CC(=O)NCCCC 1626a_100000102301_100000692105 [0,1,1,0,0,0|2,0,0]=4 1714 B12R0.142 CCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210326 [0,1,1,0,0,0|2,0,0]=4 1715 B12R0.233 C/C=C/C=CC(=O)CCCC(=O)C 1458a_100000185730_100011215641 [0,1,1,0,0,0|1,0,1]=4 1716 B12R0.233 C/C=C/C=CC(=O)CCCC(C)C 1458a_100000185730_100011214892 [0,1,1,0,0,0|1,0,0]=3 1717 B12R0.233 C/C=C/C=CC(=O)CCCC(C)O 1458a_100000185730_200000718107 [0,1,1,0,0,0|1,0,0]=3 1718 B12R0.233 C/C=C/C=CC(=O)CCCN(C)C 1458a_100000185730_100000695564 [0,1,1,0,0,0|2,0,0]=4 1719 B12R0.233 C/C=C/C=CC(=O)CCOC(C)C 1458a_100000185730_100000211751 [0,1,1,0,0,0|2,0,0]=4 1720 B12R0.233 C/C=C/C=CC(=O)CCSC(C)C 1458a_100000185730_100000730970 [0,1,1,0,0,0|2,0,0]=4 1721 B12R0.233 C/C=C/C=CC(=O)NCCC(C)C 11a_100000210545_100000185730 [0,1,1,0,0,0|2,0,0]=4 1722 B12R0.233 C/C=C/C=CC(=O)NCCC(C)C 1626a_100000210545_100000185730 [0,1,1,0,0,0|2,0,0]=4 1723 B12R0.233 C/C=C/C=CC(=O)NCCC(C)C 240690a_100000210545_100000185730 [0,1,1,0,0,0|2,0,0]=4 1724 B12R0.233 C/C=C/C=CC(=O)NCCC(C)O 240690a_200000755665_100000185730 [0,1,1,0,0,0|2,0,0]=4 1725 B12R0.233 C=C(C)C=NNC(=O)CCCCC 4a_100000189784_100000210575 [0,1,1,0,0,0|2,0,0]=4 1726 B12R0.233 C=C(C)COCC(=O)CCCCC 34a_100000210245_200012276598 [0,1,1,0,0,0|0,0,2]=4 1727 B12R0.233 C=C(F)COCC(=O)CCCCC 34a_200010262243_200012276598 [0,1,1,0,0,0|0,0,2]=4 1728 B12R0.233 CCCCCC(=O)C/C=C/B(O)O 1458a_100000212188_100016262062 [0,1,1,0,0,0|1,0,1]=4 1729 B12R0.239 C/C=C/C=CC(=O)CC(=O)CCC 1458a_100000185730_100000747444 [0,1,1,0,0,0|1,0,1]=4 1730 B12R0.239 C/C=C/C=CC(=O)CC(C)CCC 1458a_100000185730_100011216630 [0,1,1,0,0,0|1,0,0]=3 1731 B12R0.239 C/C=C/C=CC(=O)NC(C)CCC 11a_100000741246_100000185730 [0,1,1,0,0,0|2,0,0]=4 1732 B12R0.239 C/C=C/C=CC(=O)NC(C)CCC 1626a_100000741246_100000185730 [0,1,1,0,0,0|2,0,0]=4 1733 B12R0.239 C/C=C/C=CC(=O)NC(C)CCC 240690a_100000741246_100000185730 [0,1,1,0,0,0|2,0,0]=4 1734 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,1,1,0,0,0|1,0,1]=4 1735 B12R0.239 CCCCCC(=O)CC(=O)C=CBr 1458a_100016273825_200012276598 [0,1,1,0,0,0|1,0,1]=4 1736 B12R0.239 CCCCCC(=O)CC(=O)C=CCl 1458a_200016279998_200012276598 [0,1,1,0,0,0|1,0,1]=4 1737 B12R0.239 CCCCCC(=O)CC(=O)C=CI 1458a_100016256311_200012276598 [0,1,1,0,0,0|1,0,1]=4 1738 B12R0.648 C/C=C/C=CC(=O)C(C)CCCC 1458a_100000185730_200011215066 [0,1,1,0,0,0|1,0,0]=3 1739 B12R0.648 C/C=C/C=CC(=O)N(C)CCCC 11a_100000207549_100000185730 [0,1,1,0,0,0|2,0,0]=4 1740 B12R0.648 C/C=C/C=CC(=O)N(C)CCCC 1626a_100000207549_100000185730 [0,1,1,0,0,0|2,0,0]=4 1741 B12R0.648 C/C=C/C=CC(=O)N(C)CCCC 240690a_100000207549_100000185730 [0,1,1,0,0,0|2,0,0]=4 1742 B12R1.7 CCCCC=Cc1cc(cs1)C 271570a_100016275911_100009876951 [1,1,0,0,0,0|0,1,1]=4 1743 B12R1.7 CCCCC=Cc1ccc(s1)Br 271570a_100016275911_100010197418 [1,1,0,0,0,0|0,1,1]=4 1744 B12R1.7 CCCCC=Cc1ccc(s1)C 271570a_100016275911_100000761539 [1,1,0,0,0,0|0,1,1]=4 1745 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [1,1,0,0,0,0|0,1,1]=4 1746 B12R1.7 CCCCCSc1cc(cs1)C 62a_100000210326_100009876951 [1,1,0,0,0,0|1,1,0]=4 1747 B12R1.7 CCCCCSc1cc(cs1)C 62a_100009876951_100000210326 [1,1,0,0,0,0|1,1,0]=4 1748 B12R1.7 CCCCCSc1ccc(s1)Br 62a_100000210326_100010197418 [1,1,0,0,0,0|1,1,0]=4 1749 B12R1.7 CCCCCSc1ccc(s1)Br 62a_100010197418_100000210326 [1,1,0,0,0,0|1,1,0]=4 1750 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000031368_100000210326 [1,1,0,0,0,0|1,1,0]=4 1751 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000210326_100000031368 [1,1,0,0,0,0|1,1,0]=4 1752 B12R1.7 CCCCNCc1cc(co1)Br 270004a_100000102301_100000747035 [1,1,0,0,0,0|1,0,1]=4 1753 B12R1.7 CCCCNCc1ccc(o1)Br 207a_100000102301_100000185145 [1,1,0,0,0,0|1,0,1]=4 1754 B12R1.7 CCCCNCc1ccc(o1)Br 270004a_100000102301_100000185145 [1,1,0,0,0,0|1,0,1]=4 1755 B12R1.7 CCCCNCc1ccc(o1)Br 34a_100000708654_100000210210 [1,1,0,0,0,0|1,0,1]=4 1756 B12R1.7 CCCCNCc1ccc(o1)C 207a_100000102301_100000183696 [1,1,0,0,0,0|1,0,1]=4 1757 B12R1.7 CCCCNCc1ccc(o1)C 270004a_100000102301_100000183696 [1,1,0,0,0,0|1,0,1]=4 1758 B12R1.7 CCCCNCc1ccc(o1)C 34a_100011194323_100000210210 [1,1,0,0,0,0|1,0,1]=4 1759 B12R1.7 CCCCNCc1ccc(o1)Cl 207a_100000102301_100000188459 [1,1,0,0,0,0|1,0,1]=4 1760 B12R1.7 CCCCNCc1ccc(o1)Cl 270004a_100000102301_100000188459 [1,1,0,0,0,0|1,0,1]=4 1761 B12R1.7 CCCCNCc1ccc(o1)I 207a_100000102301_100000186757 [1,1,0,0,0,0|1,0,1]=4 1762 B12R1.7 CCCCOCc1ccc(o1)Br 34a_100000246276_100000210210 [1,1,0,0,0,0|1,0,1]=4 1763 B12R1.7 CCCCOCc1ccc(o1)Br 7a_100000246276_100000210211 [1,1,0,0,0,0|1,0,1]=4 1764 B12R1.7 CCCCOCc1ccc(o1)C 34a_100011232665_100000210210 [1,1,0,0,0,0|1,0,1]=4 1765 B12R1.7 CCCCOCc1ccc(o1)C 7a_100011232665_100000210211 [1,1,0,0,0,0|1,0,1]=4 1766 B12R1.7 CCCNCCc1ccc(o1)C 2230a_100000739271_100000210303 [1,1,0,0,0,0|1,0,1]=4 1767 B12R1.7 CCCNCCc1ccc(o1)C 34a_100000739271_100000210303 [1,1,0,0,0,0|1,0,1]=4 1768 B12R1.7 CCCNN=Cc1cc(co1)Br 4a_100000740057_100000747035 [1,1,0,0,0,0|2,0,0]=4 1769 B12R1.7 CCCNN=Cc1ccc(o1)Br 4a_100000740057_100000185145 [1,1,0,0,0,0|2,0,0]=4 1770 B12R1.7 CCCNN=Cc1ccc(o1)C 4a_100000740057_100000183696 [1,1,0,0,0,0|2,0,0]=4 1771 B12R1.7 CCCNN=Cc1ccc(o1)Cl 4a_100000740057_100000188459 [1,1,0,0,0,0|2,0,0]=4 1772 B12R1.7 CCCNN=Cc1ccc(o1)I 4a_100000740057_100000186757 [1,1,0,0,0,0|2,0,0]=4 1773 B12R1.7 CCCOCCc1ccc(o1)C 34a_100012161071_100000210303 [1,1,0,0,0,0|1,0,1]=4 1774 B12R1.7 CCCOCCc1ccc(o1)C 7a_100012161071_100000210303 [1,1,0,0,0,0|1,0,1]=4 1775 B12R1.37 C#CCCCCSc1ccco1 62a_100009814098_100010269958 [1,1,0,0,0,0|1,0,1]=4 1776 B12R1.37 C#CCCCCSc1ccco1 62a_100010269958_100009814098 [1,1,0,0,0,0|1,0,1]=4 1777 B12R1.37 C=CCCCCSc1ccco1 62a_100009814098_100011215482 [1,1,0,0,0,0|1,0,1]=4 1778 B12R1.37 C=CCCCCSc1ccco1 62a_100011215482_100009814098 [1,1,0,0,0,0|1,0,1]=4 1779 B12R1.37 CC/C=C\CCSc1ccco1 62a_100009814098_100015370543 [1,1,0,0,0,0|1,0,1]=4 1780 B12R1.37 CC/C=C\CCSc1ccco1 62a_100015370543_100009814098 [1,1,0,0,0,0|1,0,1]=4 1781 B12R1.37 CCCCCC=Cc1c[nH]cn1 271570a_100000062253_100000756875 [1,1,0,0,0,0|2,0,0]=4 1782 B12R1.37 CCCCCC=Cc1cc[nH]n1 271570a_100000062253_100000062575 [1,1,0,0,0,0|2,0,0]=4 1783 B12R1.37 CCCCCC=Cc1ccco1 271570a_100000062253_100009814098 [1,1,0,0,0,0|0,0,0]=2 1784 B12R1.37 CCCCCC=Cc1cccs1 271570a_100000062253_100011215356 [1,1,0,0,0,0|0,1,0]=3 1785 B12R1.37 CCCCCC=Cc1ccoc1 271570a_100000062253_100011215275 [1,1,0,0,0,0|2,0,0]=4 1786 B12R1.37 CCCCCC=Cc1ccsc1 271570a_100000062253_100000738268 [1,1,0,0,0,0|2,0,0]=4 1787 B12R1.37 CCCCCC=Cc1ccsn1 271570a_100000062253_100009818082 [1,1,0,0,0,0|2,0,0]=4 1788 B12R1.37 CCCCCC=Cc1cnco1 271570a_100000062253_100020591547 [1,1,0,0,0,0|1,0,0]=3 1789 B12R1.37 CCCCCC=Cc1cncs1 271570a_100000062253_100011934649 [1,1,0,0,0,0|1,1,0]=4 1790 B12R1.37 CCCCCC=Cc1cscn1 271570a_100000062253_100000751502 [1,1,0,0,0,0|2,0,0]=4 1791 B12R1.37 CCCCCC=Cc1ncc[nH]1 271570a_100000062253_100025796157 [1,1,0,0,0,0|2,0,0]=4 1792 B12R1.37 CCCCCC=Cc1ncco1 271570a_100000062253_100011787736 [1,1,0,0,0,0|1,0,0]=3 1793 B12R1.37 CCCCCC=Cc1nccs1 271570a_100000062253_100000211983 [1,1,0,0,0,0|1,1,0]=4 1794 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [1,1,0,0,0,0|0,0,1]=3 1795 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [1,1,0,0,0,0|0,0,1]=3 1796 B12R1.37 CCCCCCSc1cccs1 62a_100000210314_100011215356 [1,1,0,0,0,0|0,1,1]=4 1797 B12R1.37 CCCCCCSc1cccs1 62a_100011215356_100000210757 [1,1,0,0,0,0|0,1,1]=4 1798 B12R1.37 CCCCCCSc1cnco1 62a_100000210314_100020591547 [1,1,0,0,0,0|1,0,1]=4 1799 B12R1.37 CCCCCCSc1cnco1 62a_100020591547_100000210757 [1,1,0,0,0,0|1,0,1]=4 1800 B12R1.37 CCCCCCSc1ncco1 62a_100000210314_100011787736 [1,1,0,0,0,0|1,0,1]=4 1801 B12R1.37 CCCCCCSc1ncco1 62a_100011787736_100000210757 [1,1,0,0,0,0|1,0,1]=4 1802 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [1,1,0,0,0,0|0,0,1]=3 1803 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [1,1,0,0,0,0|0,0,1]=3 1804 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [1,1,0,0,0,0|0,0,1]=3 1805 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [1,1,0,0,0,0|0,0,1]=3 1806 B12R1.37 CCCCCNCc1cccs1 207a_100000209983_100000209959 [1,1,0,0,0,0|0,1,1]=4 1807 B12R1.37 CCCCCNCc1cccs1 2230a_100000211653_100000210326 [1,1,0,0,0,0|0,1,1]=4 1808 B12R1.37 CCCCCNCc1cccs1 270004a_100000209983_100000209959 [1,1,0,0,0,0|0,1,1]=4 1809 B12R1.37 CCCCCNCc1cnco1 270004a_100000209983_100000064291 [1,1,0,0,0,0|1,0,1]=4 1810 B12R1.37 CCCCCNCc1ncco1 2230a_100000209983_103436540062 [1,1,0,0,0,0|1,0,1]=4 1811 B12R1.37 CCCCCNCc1ncco1 2230a_100016994969_100000210326 [1,1,0,0,0,0|1,0,1]=4 1812 B12R1.37 CCCCCNCc1ncco1 270004a_100000209983_100000064290 [1,1,0,0,0,0|1,0,1]=4 1813 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [1,1,0,0,0,0|0,0,1]=3 1814 B12R1.37 CCCCCOCc1cccs1 34a_100000211240_100000718602 [1,1,0,0,0,0|0,1,1]=4 1815 B12R1.37 CCCCCOCc1ccno1 34a_100000740478_100000718602 [1,1,0,0,0,0|1,0,1]=4 1816 B12R1.37 CCCCCOCc1ncco1 34a_100000062594_100000718602 [1,1,0,0,0,0|1,0,1]=4 1817 B12R1.37 CCCCCOCc1ncco1 34a_100000210253_103436540062 [1,1,0,0,0,0|1,0,1]=4 1818 B12R1.37 CCCCCOCc1ncco1 7a_100000210253_103436540062 [1,1,0,0,0,0|1,0,1]=4 1819 B12R1.37 CCCCCSCc1ncco1 62a_100000210326_103436540062 [1,1,0,0,0,0|1,0,1]=4 1820 B12R1.37 CCCCCSCc1ncco1 62a_103436540062_100000210326 [1,1,0,0,0,0|1,0,1]=4 1821 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [1,1,0,0,0,0|0,0,1]=3 1822 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [1,1,0,0,0,0|0,0,1]=3 1823 B12R1.37 CCCCNCCc1cccs1 2230a_100000102301_100000748579 [1,1,0,0,0,0|0,1,1]=4 1824 B12R1.37 CCCCNCCc1cccs1 2230a_100000203755_100000210211 [1,1,0,0,0,0|0,1,1]=4 1825 B12R1.37 CCCCNCCc1cccs1 34a_100000203755_100000210210 [1,1,0,0,0,0|0,1,1]=4 1826 B12R1.37 CCCCNCCc1cccs1 7a_106832991798_100000748579 [1,1,0,0,0,0|0,1,1]=4 1827 B12R1.37 CCCCNN=Cc1ccc[nH]1 4a_100025702795_100000211237 [1,1,0,0,0,0|2,0,0]=4 1828 B12R1.37 CCCCNN=Cc1ccco1 4a_100025702795_100000186105 [1,1,0,0,0,0|1,0,0]=3 1829 B12R1.37 CCCCNN=Cc1cccs1 4a_100025702795_100000209959 [1,1,0,0,0,0|1,1,0]=4 1830 B12R1.37 CCCCNN=Cc1cnco1 4a_100025702795_100000064291 [1,1,0,0,0,0|2,0,0]=4 1831 B12R1.37 CCCCNN=Cc1ncco1 4a_100025702795_100000064290 [1,1,0,0,0,0|2,0,0]=4 1832 B12R1.37 CCCCOCCc1cccs1 34a_100000210227_100000748579 [1,1,0,0,0,0|0,1,1]=4 1833 B12R1.37 CCCCOCCc1cccs1 34a_100011216825_100000210210 [1,1,0,0,0,0|0,1,1]=4 1834 B12R1.37 CCCCOCCc1cccs1 7a_100000210227_100000748579 [1,1,0,0,0,0|0,1,1]=4 1835 B12R1.37 CCCCOCCc1cccs1 7a_100011216825_100000210211 [1,1,0,0,0,0|0,1,1]=4 1836 B12R1.37 CCCCOCSc1ccco1 62a_100009814098_100011995733 [1,1,0,0,0,0|1,0,0]=3 1837 B12R1.37 CCCCOCSc1ccco1 62a_100011995733_100009814098 [1,1,0,0,0,0|1,0,0]=3 1838 B12R1.37 CCCCOCSc1cccs1 62a_100011215356_100011995733 [1,1,0,0,0,0|1,1,0]=4 1839 B12R1.37 CCCCOCSc1cccs1 62a_100011995733_100011215356 [1,1,0,0,0,0|1,1,0]=4 1840 B12R1.37 CCCCOCSc1cnco1 62a_100011995733_100020591547 [1,1,0,0,0,0|2,0,0]=4 1841 B12R1.37 CCCCOCSc1cnco1 62a_100020591547_100011995733 [1,1,0,0,0,0|2,0,0]=4 1842 B12R1.37 CCCCOCSc1ncco1 62a_100011787736_100011995733 [1,1,0,0,0,0|2,0,0]=4 1843 B12R1.37 CCCCOCSc1ncco1 62a_100011995733_100011787736 [1,1,0,0,0,0|2,0,0]=4 1844 B12R1.37 CCCCSCCc1cccs1 62a_100000210211_100000748579 [1,1,0,0,0,0|0,1,1]=4 1845 B12R1.37 CCCCSCCc1cccs1 62a_100000748579_100000210210 [1,1,0,0,0,0|0,1,1]=4 1846 B12R1.37 CCCNCC=Cc1ccco1 270004a_100020643023_100000185671 [1,1,0,0,0,0|0,0,1]=3 1847 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [1,1,0,0,0,0|0,1,1]=4 1848 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [1,1,0,0,0,0|0,1,1]=4 1849 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [1,1,0,0,0,0|0,1,1]=4 1850 B12R1.37 CCCOCCSc1ccco1 62a_100009814098_100011215938 [1,1,0,0,0,0|1,0,0]=3 1851 B12R1.37 CCCOCCSc1ccco1 62a_100011215938_100009814098 [1,1,0,0,0,0|1,0,0]=3 1852 B12R1.37 CCCOCCSc1cccs1 62a_100011215356_100011215938 [1,1,0,0,0,0|1,1,0]=4 1853 B12R1.37 CCCOCCSc1cccs1 62a_100011215938_100011215356 [1,1,0,0,0,0|1,1,0]=4 1854 B12R1.37 CCCOCCSc1cnco1 62a_100011215938_100020591547 [1,1,0,0,0,0|2,0,0]=4 1855 B12R1.37 CCCOCCSc1cnco1 62a_100020591547_100011215938 [1,1,0,0,0,0|2,0,0]=4 1856 B12R1.37 CCCOCCSc1ncco1 62a_100011215938_100011787736 [1,1,0,0,0,0|2,0,0]=4 1857 B12R1.37 CCCOCCSc1ncco1 62a_100011787736_100011215938 [1,1,0,0,0,0|2,0,0]=4 1858 B12R1.37 CCCSCCCc1cccs1 62a_100000210303_100010992444 [1,1,0,0,0,0|0,1,1]=4 1859 B12R1.37 CCCSCCCc1cccs1 62a_100010992444_100000210303 [1,1,0,0,0,0|0,1,1]=4 1860 B12R1.37 CCNCCSCc1ccco1 2230a_100000184675_100000210202 [1,1,0,0,0,0|1,0,1]=4 1861 B12R1.37 CCNCCSCc1ccco1 7a_100000184675_100000210202 [1,1,0,0,0,0|1,0,1]=4 1862 B12R1.37 CCOCCCSc1ccco1 62a_100009814098_100012232248 [1,1,0,0,0,0|1,0,0]=3 1863 B12R1.37 CCOCCCSc1ccco1 62a_100012232248_100009814098 [1,1,0,0,0,0|1,0,0]=3 1864 B12R1.37 CCOCCCSc1cccs1 62a_100011215356_100012232248 [1,1,0,0,0,0|1,1,0]=4 1865 B12R1.37 CCOCCCSc1cccs1 62a_100012232248_100011215356 [1,1,0,0,0,0|1,1,0]=4 1866 B12R1.37 CCOCCCSc1cnco1 62a_100012232248_100020591547 [1,1,0,0,0,0|2,0,0]=4 1867 B12R1.37 CCOCCCSc1cnco1 62a_100020591547_100012232248 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.37 CCOCCCSc1ncco1 62a_100011787736_100012232248 [1,1,0,0,0,0|2,0,0]=4 1869 B12R1.37 CCOCCCSc1ncco1 62a_100012232248_100011787736 [1,1,0,0,0,0|2,0,0]=4 1870 B12R1.37 CCOCCNCc1ccco1 207a_100011200944_100000186105 [1,1,0,0,0,0|1,0,1]=4 1871 B12R1.37 CCOCCNCc1ccco1 2230a_100000185738_100011215890 [1,1,0,0,0,0|1,0,1]=4 1872 B12R1.37 CCOCCNCc1ccco1 270004a_102516460346_100000186105 [1,1,0,0,0,0|1,0,1]=4 1873 B12R1.37 CCOCCNCc1ccco1 34a_100000185738_100000210147 [1,1,0,0,0,0|1,0,1]=4 1874 B12R1.37 CCOCCOCc1ccco1 34a_100000210059_100000210147 [1,1,0,0,0,0|1,0,1]=4 1875 B12R1.37 CCSCCNCc1ccco1 207a_100000106463_100000186105 [1,1,0,0,0,0|1,0,1]=4 1876 B12R1.37 CCSCCNCc1ccco1 2230a_100000185738_100000757381 [1,1,0,0,0,0|1,0,1]=4 1877 B12R1.37 CCSCCNCc1ccco1 270004a_100000106463_100000186105 [1,1,0,0,0,0|1,0,1]=4 1878 B12R1.37 CCSCCNCc1ccco1 34a_100000185738_100000757381 [1,1,0,0,0,0|1,0,1]=4 1879 B12R1.37 CCSCCOCc1ccco1 34a_100000210059_100000757381 [1,1,0,0,0,0|1,0,1]=4 1880 B12R1.37 COCCCCSc1ccco1 62a_100000730899_100009814098 [1,1,0,0,0,0|1,0,0]=3 1881 B12R1.37 COCCCCSc1ccco1 62a_100009814098_100000730899 [1,1,0,0,0,0|1,0,0]=3 1882 B12R1.37 COCCCCSc1cccs1 62a_100000730899_100011215356 [1,1,0,0,0,0|1,1,0]=4 1883 B12R1.37 COCCCCSc1cccs1 62a_100011215356_100000730899 [1,1,0,0,0,0|1,1,0]=4 1884 B12R1.37 COCCCCSc1cnco1 62a_100000730899_100020591547 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.37 COCCCCSc1cnco1 62a_100020591547_100000730899 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.37 COCCCCSc1ncco1 62a_100000730899_100011787736 [1,1,0,0,0,0|2,0,0]=4 1887 B12R1.37 COCCCCSc1ncco1 62a_100011787736_100000730899 [1,1,0,0,0,0|2,0,0]=4 1888 B12R1.37 COCCCNCc1ccco1 207a_100150723488_100000186105 [1,1,0,0,0,0|1,0,1]=4 1889 B12R1.37 COCCCNCc1ccco1 2230a_100000185738_100000740836 [1,1,0,0,0,0|1,0,1]=4 1890 B12R1.37 COCCCNCc1ccco1 270004a_100150723488_100000186105 [1,1,0,0,0,0|1,0,1]=4 1891 B12R1.37 COCCCNCc1ccco1 34a_100000185738_100000740836 [1,1,0,0,0,0|1,0,1]=4 1892 B12R1.37 COCCCOCc1ccco1 34a_100000210059_100000740836 [1,1,0,0,0,0|1,0,1]=4 1893 B12R1.37 COCCNCCc1ccco1 2230a_100000694680_100011201679 [1,1,0,0,0,0|1,0,1]=4 1894 B12R1.37 COCCNCCc1ccco1 34a_100000694680_100011201679 [1,1,0,0,0,0|1,0,1]=4 1895 B12R1.37 COCCOCSc1ccco1 62a_100000231047_100009814098 [1,1,0,0,0,0|2,0,0]=4 1896 B12R1.37 COCCOCSc1ccco1 62a_100009814098_100000231047 [1,1,0,0,0,0|2,0,0]=4 1897 B12R1.37 CSCCCNCc1ccco1 207a_100000749238_100000186105 [1,1,0,0,0,0|1,0,1]=4 1898 B12R1.37 CSCCCNCc1ccco1 270004a_100000749238_100000186105 [1,1,0,0,0,0|1,0,1]=4 1899 B12R1.37 CSCCNCCc1ccco1 2230a_100000694680_100000751147 [1,1,0,0,0,0|1,0,1]=4 1900 B12R1.37 CSCCNCCc1ccco1 34a_100000694680_100000212216 [1,1,0,0,0,0|1,0,1]=4 1901 B12R1.37 FCCCCCSc1ccco1 62a_100000729378_100009814098 [1,1,0,0,0,0|1,0,0]=3 1902 B12R1.37 FCCCCCSc1ccco1 62a_100009814098_100000729378 [1,1,0,0,0,0|1,0,0]=3 1903 B12R1.37 FCCCCCSc1cccs1 62a_100000729378_100011215356 [1,1,0,0,0,0|1,1,0]=4 1904 B12R1.37 FCCCCCSc1cccs1 62a_100011215356_100000729378 [1,1,0,0,0,0|1,1,0]=4 1905 B12R1.37 FCCCCCSc1cnco1 62a_100000729378_100020591547 [1,1,0,0,0,0|2,0,0]=4 1906 B12R1.37 FCCCCCSc1cnco1 62a_100020591547_100000729378 [1,1,0,0,0,0|2,0,0]=4 1907 B12R1.37 FCCCCCSc1ncco1 62a_100000729378_100011787736 [1,1,0,0,0,0|2,0,0]=4 1908 B12R1.37 FCCCCCSc1ncco1 62a_100011787736_100000729378 [1,1,0,0,0,0|2,0,0]=4 1909 B12R1.37 FCCCCNCc1ccco1 2230a_100000185738_100000729493 [1,1,0,0,0,0|1,0,1]=4 1910 B12R1.37 FCCCCNCc1ccco1 34a_100000185738_100000729493 [1,1,0,0,0,0|1,0,1]=4 1911 B12R1.37 FCCCCOCc1ccco1 34a_100000210059_100000729493 [1,1,0,0,0,0|1,0,1]=4 1912 B12R1.37 FCCCNCCc1ccco1 2230a_100000694680_100011934791 [1,1,0,0,0,0|1,0,1]=4 1913 B12R1.37 FCCCNCCc1ccco1 34a_100000694680_100011934791 [1,1,0,0,0,0|1,0,1]=4 1914 B12R1.37 N#CCCCCSc1ccco1 62a_100009814098_100000211819 [1,1,0,0,0,0|1,0,1]=4 1915 B12R1.37 N#CCCCCSc1ccco1 62a_100011219923_100009814098 [1,1,0,0,0,0|1,0,1]=4 1916 B12R1.37 O=CCCCCSc1ccco1 62a_100000139335_100009814098 [1,1,0,0,0,0|1,0,1]=4 1917 B12R1.37 O=CCCCCSc1ccco1 62a_100009814098_100000139335 [1,1,0,0,0,0|1,0,1]=4 1918 B12R1.37 OCCCCCSc1ccco1 62a_100000746330_100009814098 [1,1,0,0,0,0|1,0,0]=3 1919 B12R1.37 OCCCCCSc1ccco1 62a_100009814098_100000746330 [1,1,0,0,0,0|1,0,0]=3 1920 B12R1.37 OCCCCCSc1cccs1 62a_100000746330_100011215356 [1,1,0,0,0,0|1,1,0]=4 1921 B12R1.37 OCCCCCSc1cccs1 62a_100011215356_100000746330 [1,1,0,0,0,0|1,1,0]=4 1922 B12R1.37 OCCCCCSc1cnco1 62a_100000746330_100020591547 [1,1,0,0,0,0|2,0,0]=4 1923 B12R1.37 OCCCCCSc1cnco1 62a_100020591547_100000746330 [1,1,0,0,0,0|2,0,0]=4 1924 B12R1.37 OCCCCCSc1ncco1 62a_100000746330_100011787736 [1,1,0,0,0,0|2,0,0]=4 1925 B12R1.37 OCCCCCSc1ncco1 62a_100011787736_100000746330 [1,1,0,0,0,0|2,0,0]=4 1926 B12R1.37 OCCCCNCc1ccco1 207a_100000750430_100000186105 [1,1,0,0,0,0|1,0,1]=4 1927 B12R1.37 OCCCCNCc1ccco1 2230a_100000185738_100000210776 [1,1,0,0,0,0|1,0,1]=4 1928 B12R1.37 OCCCCNCc1ccco1 270004a_100000750430_100000186105 [1,1,0,0,0,0|1,0,1]=4 1929 B12R1.37 OCCCCNCc1ccco1 34a_100000185738_100011216708 [1,1,0,0,0,0|1,0,1]=4 1930 B12R1.37 OCCCCOCc1ccco1 34a_100000210059_100011216708 [1,1,0,0,0,0|1,0,1]=4 1931 B12R1.37 OCCCNCCc1ccco1 2230a_100000694680_100000230001 [1,1,0,0,0,0|1,0,1]=4 1932 B12R1.37 OCCCNCCc1ccco1 34a_100000694680_100000230001 [1,1,0,0,0,0|1,0,1]=4 1933 B12R1.37 OCCNCC=Cc1ccco1 270004a_100000210304_100000185671 [1,1,0,0,0,0|1,0,1]=4 1934 B12R1.37 OCCOCCSc1ccco1 62a_100009814098_100011215305 [1,1,0,0,0,0|2,0,0]=4 1935 B12R1.37 OCCOCCSc1ccco1 62a_100011215305_100009814098 [1,1,0,0,0,0|2,0,0]=4 1936 B12R1.51 CCCC(=O)CCc1ccco1 1458a_100000185103_100000210303 [1,1,0,0,0,0|0,0,2]=4 1937 B12R1.51 CCCC(=O)CSc1ccco1 62a_100000747444_100009814098 [1,1,0,0,0,0|1,0,1]=4 1938 B12R1.51 CCCC(=O)CSc1ccco1 62a_100009814098_100000747444 [1,1,0,0,0,0|1,0,1]=4 1939 B12R1.51 CCCC(C)CSc1ccco1 62a_100009814098_100011216630 [1,1,0,0,0,0|1,0,0]=3 1940 B12R1.51 CCCC(C)CSc1ccco1 62a_100011216630_100009814098 [1,1,0,0,0,0|1,0,0]=3 1941 B12R1.51 CCCC(C)CSc1cccs1 62a_100011215356_100011216630 [1,1,0,0,0,0|1,1,0]=4 1942 B12R1.51 CCCC(C)CSc1cccs1 62a_100011216630_100011215356 [1,1,0,0,0,0|1,1,0]=4 1943 B12R1.51 CCCC(C)CSc1cnco1 62a_100011216630_100020591547 [1,1,0,0,0,0|2,0,0]=4 1944 B12R1.51 CCCC(C)CSc1cnco1 62a_100020591547_100011216630 [1,1,0,0,0,0|2,0,0]=4 1945 B12R1.51 CCCC(C)CSc1ncco1 62a_100011216630_100011787736 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.51 CCCC(C)CSc1ncco1 62a_100011787736_100011216630 [1,1,0,0,0,0|2,0,0]=4 1947 B12R1.51 CCCC(C)NCc1ccco1 207a_100000741246_100000186105 [1,1,0,0,0,0|1,0,1]=4 1948 B12R1.51 CCCC(C)NCc1ccco1 2230a_100000185738_100000766640 [1,1,0,0,0,0|1,0,1]=4 1949 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000185738_100000211909 [1,1,0,0,0,0|1,0,1]=4 1950 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000741246_100000186105 [1,1,0,0,0,0|1,0,1]=4 1951 B12R1.51 CCCC(C)NCc1ccco1 34a_100000185738_100000766640 [1,1,0,0,0,0|1,0,1]=4 1952 B12R1.51 CCCC(C)OCc1ccco1 34a_100000210059_100000766640 [1,1,0,0,0,0|1,0,1]=4 1953 B12R1.51 CCNC(C)CCc1ccco1 2230a_100000199034_100000210202 [1,1,0,0,0,0|1,0,1]=4 1954 B12R1.51 CCNC(C)CCc1ccco1 34a_100000199034_100000210202 [1,1,0,0,0,0|1,0,1]=4 1955 B12R1.51 COCC(O)CSc1ccco1 62a_100009814098_100011215053 [1,1,0,0,0,0|2,0,0]=4 1956 B12R1.51 COCC(O)CSc1ccco1 62a_100011215053_100009814098 [1,1,0,0,0,0|2,0,0]=4 1957 B12R1.53 CCCCC(=Cc1ccco1)Br 271570a_206741709834_100009814098 [1,1,0,0,0,0|0,0,1]=3 1958 B12R1.53 CCCCC(=Cc1cccs1)Br 271570a_206741709834_100011215356 [1,1,0,0,0,0|0,1,1]=4 1959 B12R1.53 CCCCC(=Cc1cnco1)Br 271570a_206741709834_100020591547 [1,1,0,0,0,0|1,0,1]=4 1960 B12R1.53 CCCCC(=Cc1ncco1)Br 271570a_206741709834_100011787736 [1,1,0,0,0,0|1,0,1]=4 1961 B12R1.53 CCCCC(=O)Cc1ccco1 1458a_100011217309_100000210211 [1,1,0,0,0,0|0,0,2]=4 1962 B12R1.53 CCCCC(C)Sc1ccco1 62a_100009814098_200011215066 [1,1,0,0,0,0|1,0,0]=3 1963 B12R1.53 CCCCC(C)Sc1ccco1 62a_200011215066_100009814098 [1,1,0,0,0,0|1,0,0]=3 1964 B12R1.53 CCCCC(C)Sc1cccs1 62a_100011215356_200011215066 [1,1,0,0,0,0|1,1,0]=4 1965 B12R1.53 CCCCC(C)Sc1cccs1 62a_200011215066_100011215356 [1,1,0,0,0,0|1,1,0]=4 1966 B12R1.53 CCCCC(C)Sc1cnco1 62a_100020591547_200011215066 [1,1,0,0,0,0|2,0,0]=4 1967 B12R1.53 CCCCC(C)Sc1cnco1 62a_200011215066_100020591547 [1,1,0,0,0,0|2,0,0]=4 1968 B12R1.53 CCCCC(C)Sc1ncco1 62a_100011787736_200011215066 [1,1,0,0,0,0|2,0,0]=4 1969 B12R1.53 CCCCC(C)Sc1ncco1 62a_200011215066_100011787736 [1,1,0,0,0,0|2,0,0]=4 1970 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100000185268_100000210211 [1,1,0,0,0,0|1,0,1]=4 1971 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100015184542_200000210301 [1,1,0,0,0,0|1,0,1]=4 1972 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100000185268_100000210211 [1,1,0,0,0,0|1,0,1]=4 1973 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100015184542_200000210301 [1,1,0,0,0,0|1,0,1]=4 1974 B12R1.53 CCCCN(C)Cc1ccco1 270004a_100000207549_100000186105 [1,1,0,0,0,0|1,0,1]=4 1975 B12R1.53 CCCCN([13CH3])Cc1ccco1 2230a_100015184542_200025704644 [1,1,0,0,0,0|1,0,1]=4 1976 B12R1.53 CCCCN([13CH3])Cc1ccco1 269982a_100015184542_200025704644 [1,1,0,0,0,0|1,0,1]=4 1977 B12R1.53 CCCNC(C)Cc1ccco1 270004a_100020643023_100011216958 [1,1,0,0,0,0|1,0,1]=4 1978 B12R1.53 CCCOC(C)Cc1ccco1 34a_100011803939_100000210303 [1,1,0,0,0,0|1,0,1]=4 1979 B12R1.53 CCCOC(C)Cc1ccco1 7a_100011803939_100000210303 [1,1,0,0,0,0|1,0,1]=4 1980 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [1,1,0,0,0,0|1,0,1]=4 1981 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [1,1,0,0,0,0|1,0,1]=4 1982 B12R1.255 CC(C)CCCSc1ccco1 62a_100009814098_100011214892 [1,1,0,0,0,0|1,0,0]=3 1983 B12R1.255 CC(C)CCCSc1ccco1 62a_100011214892_100009814098 [1,1,0,0,0,0|1,0,0]=3 1984 B12R1.255 CC(C)CCCSc1cccs1 62a_100011214892_100011215356 [1,1,0,0,0,0|1,1,0]=4 1985 B12R1.255 CC(C)CCCSc1cccs1 62a_100011215356_100011214892 [1,1,0,0,0,0|1,1,0]=4 1986 B12R1.255 CC(C)CCCSc1cnco1 62a_100011214892_100020591547 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.255 CC(C)CCCSc1cnco1 62a_100020591547_100011214892 [1,1,0,0,0,0|2,0,0]=4 1988 B12R1.255 CC(C)CCCSc1ncco1 62a_100011214892_100011787736 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.255 CC(C)CCCSc1ncco1 62a_100011787736_100011214892 [1,1,0,0,0,0|2,0,0]=4 1990 B12R1.255 CC(C)CCNCc1ccco1 207a_100000210545_100000186105 [1,1,0,0,0,0|1,0,1]=4 1991 B12R1.255 CC(C)CCNCc1ccco1 2230a_100000185738_100000210312 [1,1,0,0,0,0|1,0,1]=4 1992 B12R1.255 CC(C)CCNCc1ccco1 270004a_100000210545_100000186105 [1,1,0,0,0,0|1,0,1]=4 1993 B12R1.255 CC(C)CCNCc1ccco1 34a_100000185738_100000210312 [1,1,0,0,0,0|1,0,1]=4 1994 B12R1.255 CC(C)CCOCc1ccco1 34a_100000210059_100000210312 [1,1,0,0,0,0|1,0,1]=4 1995 B12R1.255 CC(C)CNCCc1ccco1 2230a_100000694680_100000210760 [1,1,0,0,0,0|1,0,1]=4 1996 B12R1.255 CC(C)CNCCc1ccco1 270004a_100000694680_100000210432 [1,1,0,0,0,0|1,0,1]=4 1997 B12R1.255 CC(C)CNCCc1ccco1 34a_100000694680_100000210624 [1,1,0,0,0,0|1,0,1]=4 1998 B12R1.255 CC(C)OCCSc1ccco1 62a_100000211751_100009814098 [1,1,0,0,0,0|2,0,0]=4 1999 B12R1.255 CC(C)OCCSc1ccco1 62a_100009814098_100000211751 [1,1,0,0,0,0|2,0,0]=4 2000 B12R1.255 CC(C)SCCSc1ccco1 62a_100000730970_100009814098 [1,1,0,0,0,0|2,0,0]=4 2001 B12R1.255 CC(C)SCCSc1ccco1 62a_100009814098_100000730970 [1,1,0,0,0,0|2,0,0]=4 2002 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [1,1,0,0,0,0|1,0,0]=3 2003 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [1,1,0,0,0,0|1,0,0]=3 2004 B12R1.255 CC(O)CCCSc1cccs1 62a_100011215356_200000718107 [1,1,0,0,0,0|1,1,0]=4 2005 B12R1.255 CC(O)CCCSc1cccs1 62a_200000718107_100011215356 [1,1,0,0,0,0|1,1,0]=4 2006 B12R1.255 CC(O)CCCSc1cnco1 62a_100020591547_200000718107 [1,1,0,0,0,0|2,0,0]=4 2007 B12R1.255 CC(O)CCCSc1cnco1 62a_200000718107_100020591547 [1,1,0,0,0,0|2,0,0]=4 2008 B12R1.255 CC(O)CCCSc1ncco1 62a_100011787736_200000718107 [1,1,0,0,0,0|2,0,0]=4 2009 B12R1.255 CC(O)CCCSc1ncco1 62a_200000718107_100011787736 [1,1,0,0,0,0|2,0,0]=4 2010 B12R1.255 CC(O)CCNCc1ccco1 207a_200000755665_100000186105 [1,1,0,0,0,0|1,0,1]=4 2011 B12R1.255 CC(O)CCNCc1ccco1 2230a_100000185738_100012276601 [1,1,0,0,0,0|1,0,1]=4 2012 B12R1.255 CC(O)CCNCc1ccco1 270004a_200000755665_100000186105 [1,1,0,0,0,0|1,0,1]=4 2013 B12R1.255 CC(O)CCNCc1ccco1 34a_100000185738_100012276601 [1,1,0,0,0,0|1,0,1]=4 2014 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [1,1,0,0,0,0|1,0,1]=4 2015 B12R1.255 CC(O)CNCCc1ccco1 2230a_100000694680_100011218427 [1,1,0,0,0,0|1,0,1]=4 2016 B12R1.255 CC(O)CNCCc1ccco1 34a_100000694680_100011218427 [1,1,0,0,0,0|1,0,1]=4 2017 B12R1.255 CC(O)CNN=Cc1ccco1 4a_200000730056_100000186105 [1,1,0,0,0,0|2,0,0]=4 2018 B12R1.255 CN(C)CCCSc1ccco1 62a_100009814098_100000757444 [1,1,0,0,0,0|2,0,0]=4 2019 B12R1.255 C[C@@H](O)CNCCc1ccco1 2230a_100000694680_100009817552 [1,1,0,0,0,0|1,0,1]=4 2020 B12R1.255 C[C@@H](O)CNCCc1ccco1 34a_100000694680_100009817552 [1,1,0,0,0,0|1,0,1]=4 2021 B12R1.372 CCCCC=Cc1sccc1Br 271570a_100016275911_100012361411 [1,1,0,0,0,0|0,1,1]=4 2022 B12R1.372 CCCCC=Cc1sccc1C 271570a_100016275911_100000742657 [1,1,0,0,0,0|0,1,1]=4 2023 B12R1.372 CCCCCSc1sccc1Br 62a_100000210326_100012361411 [1,1,0,0,0,0|1,1,0]=4 2024 B12R1.372 CCCCCSc1sccc1Br 62a_100012361411_100000210326 [1,1,0,0,0,0|1,1,0]=4 2025 B12R1.372 CCCCCSc1sccc1C 62a_100000210326_100010247149 [1,1,0,0,0,0|1,1,0]=4 2026 B12R1.372 CCCCCSc1sccc1C 62a_100010247149_100000210326 [1,1,0,0,0,0|1,1,0]=4 2027 B12R1.372 CCCCNCc1occc1Br 270004a_100000102301_100000756499 [1,1,0,0,0,0|1,0,1]=4 2028 B12R1.372 CCCCNCc1occc1C 207a_100000102301_100000763527 [1,1,0,0,0,0|1,0,1]=4 2029 B12R1.372 CCCCNCc1occc1C 270004a_100000102301_100000763527 [1,1,0,0,0,0|1,0,1]=4 2030 B12R1.372 CCCCOCc1occc1C 34a_100011273948_100000210210 [1,1,0,0,0,0|1,0,1]=4 2031 B12R1.372 CCCCOCc1occc1C 7a_100011273948_100000210211 [1,1,0,0,0,0|1,0,1]=4 2032 B12R1.372 CCCNN=Cc1occc1Br 4a_100000740057_100000756499 [1,1,0,0,0,0|2,0,0]=4 2033 B12R1.372 CCCNN=Cc1occc1C 4a_100000740057_100000763527 [1,1,0,0,0,0|2,0,0]=4 2034 B12R1.477 CCC(C)CNCc1ccco1 207a_100020588543_100000186105 [1,1,0,0,0,0|1,0,1]=4 2035 B12R1.477 CCC(C)CNCc1ccco1 2230a_100000185738_100000748023 [1,1,0,0,0,0|1,0,1]=4 2036 B12R1.477 CCC(C)CNCc1ccco1 270004a_100000185738_100000243153 [1,1,0,0,0,0|1,0,1]=4 2037 B12R1.477 CCC(C)CNCc1ccco1 270004a_100020588543_100000186105 [1,1,0,0,0,0|1,0,1]=4 2038 B12R1.477 CCC(C)CNCc1ccco1 34a_100000185738_100000748023 [1,1,0,0,0,0|1,0,1]=4 2039 B12R1.477 CCC(C)COCc1ccco1 34a_100000210059_100000748023 [1,1,0,0,0,0|1,0,1]=4 2040 B12R1.477 CCC(C)NCCc1ccco1 2230a_100000694680_100000758301 [1,1,0,0,0,0|1,0,1]=4 2041 B12R1.477 CCC(C)NCCc1ccco1 34a_100000694680_100011215416 [1,1,0,0,0,0|1,0,1]=4 2042 B12R1.477 CCC(C)NN=Cc1ccco1 4a_100000718999_100000186105 [1,1,0,0,0,0|2,0,0]=4 2043 B12R1.477 CCC(O)CNCc1ccco1 207a_100011218483_100000186105 [1,1,0,0,0,0|1,0,1]=4 2044 B12R1.477 CCC(O)CNCc1ccco1 2230a_100000185738_100011218378 [1,1,0,0,0,0|1,0,1]=4 2045 B12R1.477 CCC(O)CNCc1ccco1 270004a_100011218483_100000186105 [1,1,0,0,0,0|1,0,1]=4 2046 B12R1.477 CCC(O)CNCc1ccco1 34a_100000185738_100011218378 [1,1,0,0,0,0|1,0,1]=4 2047 B12R1.477 CCC(O)COCc1ccco1 34a_100000210059_100011218378 [1,1,0,0,0,0|1,0,1]=4 2048 B12R1.477 CC[C@H](C)CNCc1ccco1 2230a_100000185738_100009816398 [1,1,0,0,0,0|1,0,1]=4 2049 B12R1.477 CC[C@H](C)CNCc1ccco1 34a_100000185738_100009816398 [1,1,0,0,0,0|1,0,1]=4 2050 B12R1.477 CC[C@H](C)COCc1ccco1 34a_100000210059_100009816398 [1,1,0,0,0,0|1,0,1]=4 2051 B12R1.15 CCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210414_200011262396 [1,1,0,0,0,0|1,0,1]=4 2052 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [1,1,0,0,0,0|0,0,1]=3 2053 B12R1.15 CCC(=O)CC(=O)c1cccs1 1458a_100000210414_100000211436 [1,1,0,0,0,0|0,1,1]=4 2054 B12R1.15 CCN(C)CC(=O)c1ccc[nH]1 269982a_100000225621_200011262396 [1,1,0,0,0,0|2,0,0]=4 2055 B12R1.15 CCN(C)CC(=O)c1ccco1 269982a_100000225621_100000211439 [1,1,0,0,0,0|1,0,0]=3 2056 B12R1.15 CCN(C)CC(=O)c1cccs1 2230a_100000225621_100000211436 [1,1,0,0,0,0|1,1,0]=4 2057 B12R1.15 CCN(C)CC(=O)c1cccs1 269982a_100000225621_100000211436 [1,1,0,0,0,0|1,1,0]=4 2058 B12R1.15 O=C(CO)CC(=O)c1ccco1 1458a_100000210174_100000211439 [1,1,0,0,0,0|1,0,1]=4 2059 B12R1.29 CCCNC(=O)c1ccc(o1)O 271570a_203496583355_200000161738 [1,1,0,0,0,0|1,0,0]=3 2060 B12R1.29 CCCNC(=O)c1ccc(s1)O 271570a_203496583355_200000152264 [1,1,0,0,0,0|1,1,0]=4 2061 B12R1.29 CCNCC(=O)c1ccc(s1)Br 2230a_100015525214_100000185163 [1,1,0,0,0,0|1,1,0]=4 2062 B12R1.29 CCNCC(=O)c1ccc(s1)C 2230a_100015525214_100011262362 [1,1,0,0,0,0|1,1,0]=4 2063 B12R1.29 CCNCC(=O)c1ccc(s1)Cl 2230a_100015525214_100000185135 [1,1,0,0,0,0|1,1,0]=4 2064 B12R1.29 CCOCC(=O)c1ccc(s1)C 34a_100121572206_100011262362 [1,1,0,0,0,0|1,1,0]=4 2065 B12R1.29 CCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000210202 [1,1,0,0,0,0|1,1,0]=4 2066 B12R1.29 CCSCC(=O)c1ccc(s1)C 62a_100000210202_100011262362 [1,1,0,0,0,0|1,1,0]=4 2067 B12R1.29 CCSCC(=O)c1ccc(s1)C 62a_100011262362_100000210202 [1,1,0,0,0,0|1,1,0]=4 2068 B12R1.29 CCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000210202 [1,1,0,0,0,0|1,1,0]=4 2069 B12R1.29 CCSCC(=O)c1ccc(s1)Cl 62a_100000210202_100000185135 [1,1,0,0,0,0|1,1,0]=4 2070 B12R1.36 CCCCC(NC)c1ccco1 269862a_106832991636_200011535251 [1,1,0,0,0,0|1,0,1]=4 2071 B12R1.54 CC(=O)CCC(=O)c1cccs1 1458a_100000070787_100011290775 [1,1,0,0,0,0|0,1,1]=4 2072 B12R1.54 CC(=O)CNC(=O)c1ccco1 1458a_200000183647_200000210301 [1,1,0,0,0,0|1,0,1]=4 2073 B12R1.54 CC(C)NCC(=O)c1cccs1 2230a_100138425928_100000211436 [1,1,0,0,0,0|1,1,0]=4 2074 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_100000210206_200011262396 [1,1,0,0,0,0|2,0,0]=4 2075 B12R1.54 CC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000210206 [1,1,0,0,0,0|2,0,0]=4 2076 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000210206_100000211439 [1,1,0,0,0,0|1,0,0]=3 2077 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000211439_100000210206 [1,1,0,0,0,0|1,0,0]=3 2078 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000210206_100000211436 [1,1,0,0,0,0|1,1,0]=4 2079 B12R1.54 CC(C)SCC(=O)c1cccs1 62a_100000211436_100000210206 [1,1,0,0,0,0|1,1,0]=4 2080 B12R1.54 CN(C)CCC(=O)c1cccs1 2230a_100102631434_100011290775 [1,1,0,0,0,0|1,1,0]=4 2081 B12R1.54 CN(C)CCC(=O)c1cccs1 269982a_100102631434_100011290775 [1,1,0,0,0,0|1,1,0]=4 2082 B12R1.54 [13CH3]C(=O)CNC(=O)c1ccco1 1458a_200000183647_200025704644 [1,1,0,0,0,0|1,0,1]=4 2083 B12R1.55 CCNC(C)C(=O)c1cccs1 2230a_100015525214_100011262360 [1,1,0,0,0,0|1,1,0]=4 2084 B12R1.55 CCSC(C)C(=O)c1cccs1 62a_100000210202_100011262360 [1,1,0,0,0,0|1,1,0]=4 2085 B12R1.55 CCSC(C)C(=O)c1cccs1 62a_100011262360_100000210202 [1,1,0,0,0,0|1,1,0]=4 2086 B12R1.99 CCCNS(=O)(=O)c1ccco1 270084a_100020643023_200000702926 [1,1,0,0,0,0|2,0,0]=4 2087 B12R1.99 CCCNS(=O)(=O)c1ccco1 274078a_100020643023_200000702926 [1,1,0,0,0,0|2,0,0]=4 2088 B12R1.460 CCNCC(=O)c1cccn1C 2230a_100015525214_200011262399 [1,1,0,0,0,0|2,0,0]=4 2089 B12R1.460 CCNCC(=O)c1sccc1Br 2230a_100015525214_100000740827 [1,1,0,0,0,0|1,1,0]=4 2090 B12R1.460 CCOCC(=O)c1cccn1C 34a_100121572206_200011262399 [1,1,0,0,0,0|2,0,0]=4 2091 B12R1.460 CCOCC(=O)c1sccc1Br 34a_100121572206_100000740827 [1,1,0,0,0,0|1,1,0]=4 2092 B12R1.460 CCSCC(=O)c1cccn1C 62a_100000210202_200011262399 [1,1,0,0,0,0|2,0,0]=4 2093 B12R1.460 CCSCC(=O)c1cccn1C 62a_200011262399_100000210202 [1,1,0,0,0,0|2,0,0]=4 2094 B12R1.460 CCSCC(=O)c1sccc1Br 62a_100000740827_100000210202 [1,1,0,0,0,0|1,1,0]=4 2095 B14R1.19 CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210326 [0,1,0,0,0,1|1,0,0]=3 2096 B14R1.19 CCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210326 [0,1,0,0,0,1|1,0,0]=3 2097 B14R1.19 CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210326 [0,1,0,0,0,1|1,0,0]=3 2098 B14R1.19 CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210326 [0,1,0,0,0,1|1,0,0]=3 2099 B14R1.19 CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210326 [0,1,0,0,0,1|1,0,0]=3 2100 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210326 [0,1,0,0,0,1|1,0,0]=3 2101 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011267725 [0,1,0,0,0,1|1,0,0]=3 2102 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 11a_100000102301_100000185839 [0,1,0,0,0,1|2,0,0]=4 2103 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 1626a_100000102301_100000185839 [0,1,0,0,0,1|2,0,0]=4 2104 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 240690a_100000102301_100000185839 [0,1,0,0,0,1|2,0,0]=4 2105 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br 527a_100000102301_100000185839 [0,1,0,0,0,1|2,0,0]=4 2106 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 11a_100000102301_100000188618 [0,1,0,0,0,1|2,0,0]=4 2107 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 1626a_100000102301_100000188618 [0,1,0,0,0,1|2,0,0]=4 2108 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 240690a_100000102301_100000188618 [0,1,0,0,0,1|2,0,0]=4 2109 B14R1.19 CCCCNC(=O)c1ccc(cc1)C 527a_100000102301_100000188618 [0,1,0,0,0,1|2,0,0]=4 2110 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 11a_100000102301_100000210187 [0,1,0,0,0,1|2,0,0]=4 2111 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 1626a_100000102301_100000210187 [0,1,0,0,0,1|2,0,0]=4 2112 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 240690a_100000102301_100000210187 [0,1,0,0,0,1|2,0,0]=4 2113 B14R1.19 CCCCNC(=O)c1ccc(cc1)Cl 527a_100000102301_100000210187 [0,1,0,0,0,1|2,0,0]=4 2114 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 11a_100000102301_100000187176 [0,1,0,0,0,1|2,0,0]=4 2115 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 1626a_100000102301_100000187176 [0,1,0,0,0,1|2,0,0]=4 2116 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 240690a_100000102301_100000187176 [0,1,0,0,0,1|2,0,0]=4 2117 B14R1.19 CCCCNC(=O)c1ccc(cc1)F 527a_100000102301_100000187176 [0,1,0,0,0,1|2,0,0]=4 2118 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 11a_100000102301_100000187904 [0,1,0,0,0,1|2,0,0]=4 2119 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 1626a_100000102301_100000187904 [0,1,0,0,0,1|2,0,0]=4 2120 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 240690a_100000102301_100000187904 [0,1,0,0,0,1|2,0,0]=4 2121 B14R1.19 CCCCNC(=O)c1ccc(cc1)I 527a_100000102301_100000187904 [0,1,0,0,0,1|2,0,0]=4 2122 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 240690a_100000102301_100000212099 [0,1,0,0,0,1|2,0,0]=4 2123 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000154866 [0,1,0,0,0,1|2,0,0]=4 2124 B14R1.19 CCCCNC(=O)c1ccc(cc1)O 527a_100000102301_100000212099 [0,1,0,0,0,1|2,0,0]=4 2125 B14R1.19 CCCCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781281 [0,1,0,0,0,1|2,0,0]=4 2126 B14R1.19 CCCOCC(=O)c1ccc(cc1)Br 34a_100000210258_100000188085 [0,1,0,0,0,1|2,0,0]=4 2127 B14R1.19 CCCOCC(=O)c1ccc(cc1)C 34a_100000210258_100000211441 [0,1,0,0,0,1|2,0,0]=4 2128 B14R1.19 CCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210303 [0,1,0,0,0,1|2,0,0]=4 2129 B14R1.19 CCCOCC(=O)c1ccc(cc1)I 34a_100000210258_100011216261 [0,1,0,0,0,1|2,0,0]=4 2130 B14R1.19 CCCOCC(=O)c1ccc(cc1)O 34a_100000210258_100009814261 [0,1,0,0,0,1|2,0,0]=4 2131 B14R1.19 CCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210303 [0,1,0,0,0,1|2,0,0]=4 2132 B14R1.19 CCCSCC(=O)c1ccc(cc1)C 62a_100000210303_100000211441 [0,1,0,0,0,1|2,0,0]=4 2133 B14R1.19 CCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210303 [0,1,0,0,0,1|2,0,0]=4 2134 B14R1.19 CCCSCC(=O)c1ccc(cc1)Cl 62a_100000210303_100000211071 [0,1,0,0,0,1|2,0,0]=4 2135 B14R1.19 CCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210303 [0,1,0,0,0,1|2,0,0]=4 2136 B14R1.19 CCCSCC(=O)c1ccc(cc1)F 62a_100000210303_100000211279 [0,1,0,0,0,1|2,0,0]=4 2137 B14R1.19 CCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210303 [0,1,0,0,0,1|2,0,0]=4 2138 B14R1.19 CCCSCC(=O)c1ccc(cc1)I 62a_100000210303_100011216261 [0,1,0,0,0,1|2,0,0]=4 2139 B14R1.19 CCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210303 [0,1,0,0,0,1|2,0,0]=4 2140 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100000210303_100009814261 [0,1,0,0,0,1|2,0,0]=4 2141 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210303 [0,1,0,0,0,1|2,0,0]=4 2142 B14R1.19 CCCSCC(=O)c1ccc(cn1)Cl 62a_100000210303_100016989621 [0,1,0,0,0,1|2,0,0]=4 2143 B14R1.19 CCCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210303 [0,1,0,0,0,1|2,0,0]=4 2144 B14R1.19 CCCSCC(=O)c1ccc(nc1)C 62a_100000210303_100012027583 [0,1,0,0,0,1|2,0,0]=4 2145 B14R1.19 CCCSCC(=O)c1ccc(nc1)C 62a_100012027583_100000210303 [0,1,0,0,0,1|2,0,0]=4 2146 B14R1.19 CCCSCC(=O)c1ccc(nc1)Cl 62a_100000210303_100009864725 [0,1,0,0,0,1|2,0,0]=4 2147 B14R1.19 CCCSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210303 [0,1,0,0,0,1|2,0,0]=4 2148 B14R1.19 CCNCCC(=O)c1ccc(cc1)C 2230a_100015525214_100000701375 [0,1,0,0,0,1|2,0,0]=4 2149 B14R1.19 CCNCCC(=O)c1ccc(cc1)F 2230a_100015525214_100000211231 [0,1,0,0,0,1|2,0,0]=4 2150 B14R1.19 CCNCCC(=O)c1ccc(cc1)O 2230a_100015525214_100009879949 [0,1,0,0,0,1|2,0,0]=4 2151 B14R1.19 CCOCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215890 [0,1,0,0,0,1|2,0,0]=4 2152 B14R1.19 CCOCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011215890 [0,1,0,0,0,1|2,0,0]=4 2153 B14R1.19 CCOCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215890 [0,1,0,0,0,1|2,0,0]=4 2154 B14R1.19 CCOCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215890 [0,1,0,0,0,1|2,0,0]=4 2155 B14R1.19 CCOCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215890 [0,1,0,0,0,1|2,0,0]=4 2156 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215890 [0,1,0,0,0,1|2,0,0]=4 2157 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 271570a_203496583355_100018808408 [0,1,0,0,0,1|2,0,0]=4 2158 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000757381 [0,1,0,0,0,1|2,0,0]=4 2159 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 62a_100000210202_100011215963 [0,1,0,0,0,1|2,0,0]=4 2160 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210202 [0,1,0,0,0,1|2,0,0]=4 2161 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000757381 [0,1,0,0,0,1|2,0,0]=4 2162 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 62a_100000210202_100000701375 [0,1,0,0,0,1|2,0,0]=4 2163 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000210202 [0,1,0,0,0,1|2,0,0]=4 2164 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000757381 [0,1,0,0,0,1|2,0,0]=4 2165 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 62a_100000210202_100011216492 [0,1,0,0,0,1|2,0,0]=4 2166 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210202 [0,1,0,0,0,1|2,0,0]=4 2167 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000757381 [0,1,0,0,0,1|2,0,0]=4 2168 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 62a_100000210202_100000211231 [0,1,0,0,0,1|2,0,0]=4 2169 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210202 [0,1,0,0,0,1|2,0,0]=4 2170 B14R1.19 CCSCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000757381 [0,1,0,0,0,1|2,0,0]=4 2171 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000757381 [0,1,0,0,0,1|2,0,0]=4 2172 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 62a_100000210202_100009879949 [0,1,0,0,0,1|2,0,0]=4 2173 B14R1.19 CNCCCC(=O)c1ccc(cc1)Br 2230a_106832991635_100000211046 [0,1,0,0,0,1|2,0,0]=4 2174 B14R1.19 CNCCCC(=O)c1ccc(cc1)Br 34a_100102657272_100000211046 [0,1,0,0,0,1|2,0,0]=4 2175 B14R1.19 CNCCCC(=O)c1ccc(cc1)Br 7a_106832991635_100000211046 [0,1,0,0,0,1|2,0,0]=4 2176 B14R1.19 CNCCCC(=O)c1ccc(cc1)Cl 7a_106832991635_200011217871 [0,1,0,0,0,1|2,0,0]=4 2177 B14R1.19 CNCCCC(=O)c1ccc(cc1)F 2230a_106832991635_100000211961 [0,1,0,0,0,1|2,0,0]=4 2178 B14R1.19 CNCCCC(=O)c1ccc(cc1)F 7a_106832991635_100000211961 [0,1,0,0,0,1|2,0,0]=4 2179 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 2230a_106832991635_100000039620 [0,1,0,0,0,1|2,0,0]=4 2180 B14R1.19 CNCCCC(=O)c1ccc(cc1)O 7a_106832991635_100000039620 [0,1,0,0,0,1|2,0,0]=4 2181 B14R1.19 COCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000740836 [0,1,0,0,0,1|2,0,0]=4 2182 B14R1.19 COCCCC(=O)c1ccc(cc1)Br 34a_100138415774_100000211046 [0,1,0,0,0,1|2,0,0]=4 2183 B14R1.19 COCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000740836 [0,1,0,0,0,1|2,0,0]=4 2184 B14R1.19 COCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000740836 [0,1,0,0,0,1|2,0,0]=4 2185 B14R1.19 COCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000740836 [0,1,0,0,0,1|2,0,0]=4 2186 B14R1.19 COCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000740836 [0,1,0,0,0,1|2,0,0]=4 2187 B14R1.19 COCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000740836 [0,1,0,0,0,1|2,0,0]=4 2188 B14R1.19 CSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_200000210301 [0,1,0,0,0,1|2,0,0]=4 2189 B14R1.19 CSCCCC(=O)c1ccc(cc1)Br 62a_200000210301_100000211046 [0,1,0,0,0,1|2,0,0]=4 2190 B14R1.19 CSCCCC(=O)c1ccc(cc1)Cl 62a_200000210301_200011217871 [0,1,0,0,0,1|2,0,0]=4 2191 B14R1.19 CSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_200000210301 [0,1,0,0,0,1|2,0,0]=4 2192 B14R1.19 CSCCCC(=O)c1ccc(cc1)F 62a_100000211961_200000210301 [0,1,0,0,0,1|2,0,0]=4 2193 B14R1.19 CSCCCC(=O)c1ccc(cc1)F 62a_200000210301_100000211961 [0,1,0,0,0,1|2,0,0]=4 2194 B14R1.19 CSCCCC(=O)c1ccc(cc1)O 62a_200000210301_100000039620 [0,1,0,0,0,1|2,0,0]=4 2195 B14R1.19 Cc1ccc(cc1)C(=O)CCCCF 1458a_100000188618_100000729493 [0,1,0,0,0,1|2,0,0]=4 2196 B14R1.19 Cc1ccc(cc1)C(=O)CCCCO 1458a_100000188618_100000210776 [0,1,0,0,0,1|2,0,0]=4 2197 B14R1.19 O=C(CCCCF)c1ccc(cc1)Br 1458a_100000185839_100000729493 [0,1,0,0,0,1|2,0,0]=4 2198 B14R1.19 O=C(CCCCF)c1ccc(cc1)Cl 1458a_100000210187_100000729493 [0,1,0,0,0,1|2,0,0]=4 2199 B14R1.19 O=C(CCCCF)c1ccc(cc1)F 1458a_100000187176_100000729493 [0,1,0,0,0,1|2,0,0]=4 2200 B14R1.19 O=C(CCCCF)c1ccc(cc1)I 1458a_100000187904_100000729493 [0,1,0,0,0,1|2,0,0]=4 2201 B14R1.19 O=C(CCCCF)c1ccc(cc1)O 1458a_100000212099_100000729493 [0,1,0,0,0,1|2,0,0]=4 2202 B14R1.19 O=C(CCCCO)c1ccc(cc1)Br 1458a_100000185839_100000210776 [0,1,0,0,0,1|2,0,0]=4 2203 B14R1.19 O=C(CCCCO)c1ccc(cc1)Cl 1458a_100000210187_100000210776 [0,1,0,0,0,1|2,0,0]=4 2204 B14R1.19 O=C(CCCCO)c1ccc(cc1)F 1458a_100000187176_100000210776 [0,1,0,0,0,1|2,0,0]=4 2205 B14R1.19 O=C(CCCCO)c1ccc(cc1)I 1458a_100000187904_100000210776 [0,1,0,0,0,1|2,0,0]=4 2206 B14R1.19 O=C(CCCCO)c1ccc(cc1)O 1458a_100000212099_100000210776 [0,1,0,0,0,1|2,0,0]=4 2207 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Br 62a_100000211046_200025704644 [0,1,0,0,0,1|2,0,0]=4 2208 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Br 62a_200025704644_100000211046 [0,1,0,0,0,1|2,0,0]=4 2209 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_200025704644 [0,1,0,0,0,1|2,0,0]=4 2210 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)Cl 62a_200025704644_200011217871 [0,1,0,0,0,1|2,0,0]=4 2211 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)F 62a_100000211961_200025704644 [0,1,0,0,0,1|2,0,0]=4 2212 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)F 62a_200025704644_100000211961 [0,1,0,0,0,1|2,0,0]=4 2213 B14R1.19 [13CH3]SCCCC(=O)c1ccc(cc1)O 62a_200025704644_100000039620 [0,1,0,0,0,1|2,0,0]=4 2214 B14R1.20 CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210326 [0,1,0,0,0,1|1,0,0]=3 2215 B14R1.20 CCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210326 [0,1,0,0,0,1|1,0,0]=3 2216 B14R1.20 CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210326 [0,1,0,0,0,1|1,0,0]=3 2217 B14R1.20 CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210326 [0,1,0,0,0,1|1,0,0]=3 2218 B14R1.20 CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210326 [0,1,0,0,0,1|1,0,0]=3 2219 B14R1.20 CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210326 [0,1,0,0,0,1|1,0,0]=3 2220 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 11a_100000102301_100000210664 [0,1,0,0,0,1|2,0,0]=4 2221 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 1626a_100000102301_100000210664 [0,1,0,0,0,1|2,0,0]=4 2222 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 240690a_100000102301_100000210664 [0,1,0,0,0,1|2,0,0]=4 2223 B14R1.20 CCCCNC(=O)c1cccc(c1)Br 527a_100000102301_100000210664 [0,1,0,0,0,1|2,0,0]=4 2224 B14R1.20 CCCCNC(=O)c1cccc(c1)C 11a_100000102301_100000189346 [0,1,0,0,0,1|2,0,0]=4 2225 B14R1.20 CCCCNC(=O)c1cccc(c1)C 1626a_100000102301_100000189346 [0,1,0,0,0,1|2,0,0]=4 2226 B14R1.20 CCCCNC(=O)c1cccc(c1)C 240690a_100000102301_100000189346 [0,1,0,0,0,1|2,0,0]=4 2227 B14R1.20 CCCCNC(=O)c1cccc(c1)C 527a_100000102301_100000189346 [0,1,0,0,0,1|2,0,0]=4 2228 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 11a_100000102301_100000210390 [0,1,0,0,0,1|2,0,0]=4 2229 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 1626a_100000102301_100000210390 [0,1,0,0,0,1|2,0,0]=4 2230 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 240690a_100000102301_100000210390 [0,1,0,0,0,1|2,0,0]=4 2231 B14R1.20 CCCCNC(=O)c1cccc(c1)Cl 527a_100000102301_100000210390 [0,1,0,0,0,1|2,0,0]=4 2232 B14R1.20 CCCCNC(=O)c1cccc(c1)F 11a_100000102301_100000210950 [0,1,0,0,0,1|2,0,0]=4 2233 B14R1.20 CCCCNC(=O)c1cccc(c1)F 1626a_100000102301_100000210950 [0,1,0,0,0,1|2,0,0]=4 2234 B14R1.20 CCCCNC(=O)c1cccc(c1)F 240690a_100000102301_100000210950 [0,1,0,0,0,1|2,0,0]=4 2235 B14R1.20 CCCCNC(=O)c1cccc(c1)F 527a_100000102301_100000210950 [0,1,0,0,0,1|2,0,0]=4 2236 B14R1.20 CCCCNC(=O)c1cccc(c1)I 11a_100000102301_100000184098 [0,1,0,0,0,1|2,0,0]=4 2237 B14R1.20 CCCCNC(=O)c1cccc(c1)I 1626a_100000102301_100000184098 [0,1,0,0,0,1|2,0,0]=4 2238 B14R1.20 CCCCNC(=O)c1cccc(c1)I 240690a_100000102301_100000184098 [0,1,0,0,0,1|2,0,0]=4 2239 B14R1.20 CCCCNC(=O)c1cccc(c1)I 527a_100000102301_100000184098 [0,1,0,0,0,1|2,0,0]=4 2240 B14R1.20 CCCCNC(=O)c1cccc(c1)O 240690a_100000102301_100000183914 [0,1,0,0,0,1|2,0,0]=4 2241 B14R1.20 CCCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000154868 [0,1,0,0,0,1|2,0,0]=4 2242 B14R1.20 CCCCNC(=O)c1cccc(c1)O 527a_100000102301_100000183914 [0,1,0,0,0,1|2,0,0]=4 2243 B14R1.20 CCCCNC(=O)c1cncc(c1)O 271570a_203496583355_200000154871 [0,1,0,0,0,1|2,0,0]=4 2244 B14R1.20 CCCOCC(=O)c1cccc(c1)Br 34a_100000210258_100000212080 [0,1,0,0,0,1|2,0,0]=4 2245 B14R1.20 CCCOCC(=O)c1cccc(c1)C 34a_100000210258_100000739480 [0,1,0,0,0,1|2,0,0]=4 2246 B14R1.20 CCCOCC(=O)c1cccc(c1)Cl 34a_100000210258_100000211444 [0,1,0,0,0,1|2,0,0]=4 2247 B14R1.20 CCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210303 [0,1,0,0,0,1|2,0,0]=4 2248 B14R1.20 CCCOCC(=O)c1cccc(c1)F 34a_100000210258_100000215616 [0,1,0,0,0,1|2,0,0]=4 2249 B14R1.20 CCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210303 [0,1,0,0,0,1|2,0,0]=4 2250 B14R1.20 CCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210303 [0,1,0,0,0,1|2,0,0]=4 2251 B14R1.20 CCCOCC(=O)c1cccc(c1)O 34a_100000210258_100009813753 [0,1,0,0,0,1|2,0,0]=4 2252 B14R1.20 CCCSCC(=O)c1cccc(c1)Br 62a_100000210303_100000212080 [0,1,0,0,0,1|2,0,0]=4 2253 B14R1.20 CCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210303 [0,1,0,0,0,1|2,0,0]=4 2254 B14R1.20 CCCSCC(=O)c1cccc(c1)C 62a_100000210303_100000739480 [0,1,0,0,0,1|2,0,0]=4 2255 B14R1.20 CCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210303 [0,1,0,0,0,1|2,0,0]=4 2256 B14R1.20 CCCSCC(=O)c1cccc(c1)Cl 62a_100000210303_100000211444 [0,1,0,0,0,1|2,0,0]=4 2257 B14R1.20 CCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210303 [0,1,0,0,0,1|2,0,0]=4 2258 B14R1.20 CCCSCC(=O)c1cccc(c1)F 62a_100000210303_100000215616 [0,1,0,0,0,1|2,0,0]=4 2259 B14R1.20 CCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210303 [0,1,0,0,0,1|2,0,0]=4 2260 B14R1.20 CCCSCC(=O)c1cccc(c1)O 62a_100000210303_100009813753 [0,1,0,0,0,1|2,0,0]=4 2261 B14R1.20 CCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210303 [0,1,0,0,0,1|2,0,0]=4 2262 B14R1.20 CCCSCC(=O)c1ccnc(c1)Cl 62a_100000210303_100009817076 [0,1,0,0,0,1|2,0,0]=4 2263 B14R1.20 CCCSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210303 [0,1,0,0,0,1|2,0,0]=4 2264 B14R1.20 CCOCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215890 [0,1,0,0,0,1|2,0,0]=4 2265 B14R1.20 CCOCCC(=O)c1cccc(c1)C 1458a_100000189346_100011215890 [0,1,0,0,0,1|2,0,0]=4 2266 B14R1.20 CCOCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215890 [0,1,0,0,0,1|2,0,0]=4 2267 B14R1.20 CCOCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215890 [0,1,0,0,0,1|2,0,0]=4 2268 B14R1.20 CCOCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215890 [0,1,0,0,0,1|2,0,0]=4 2269 B14R1.20 CCOCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215890 [0,1,0,0,0,1|2,0,0]=4 2270 B14R1.20 CCSCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000757381 [0,1,0,0,0,1|2,0,0]=4 2271 B14R1.20 CCSCCC(=O)c1cccc(c1)C 1458a_100000189346_100000757381 [0,1,0,0,0,1|2,0,0]=4 2272 B14R1.20 CCSCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000757381 [0,1,0,0,0,1|2,0,0]=4 2273 B14R1.20 CCSCCC(=O)c1cccc(c1)F 1458a_100000210950_100000757381 [0,1,0,0,0,1|2,0,0]=4 2274 B14R1.20 CCSCCC(=O)c1cccc(c1)I 1458a_100000184098_100000757381 [0,1,0,0,0,1|2,0,0]=4 2275 B14R1.20 CCSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000757381 [0,1,0,0,0,1|2,0,0]=4 2276 B14R1.20 COCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000740836 [0,1,0,0,0,1|2,0,0]=4 2277 B14R1.20 COCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000740836 [0,1,0,0,0,1|2,0,0]=4 2278 B14R1.20 COCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000740836 [0,1,0,0,0,1|2,0,0]=4 2279 B14R1.20 COCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000740836 [0,1,0,0,0,1|2,0,0]=4 2280 B14R1.20 COCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000740836 [0,1,0,0,0,1|2,0,0]=4 2281 B14R1.20 COCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000740836 [0,1,0,0,0,1|2,0,0]=4 2282 B14R1.20 Cc1cccc(c1)C(=O)CCCCF 1458a_100000189346_100000729493 [0,1,0,0,0,1|2,0,0]=4 2283 B14R1.20 Cc1cccc(c1)C(=O)CCCCO 1458a_100000189346_100000210776 [0,1,0,0,0,1|2,0,0]=4 2284 B14R1.20 O=C(CCCCF)c1cccc(c1)Br 1458a_100000210664_100000729493 [0,1,0,0,0,1|2,0,0]=4 2285 B14R1.20 O=C(CCCCF)c1cccc(c1)Cl 1458a_100000210390_100000729493 [0,1,0,0,0,1|2,0,0]=4 2286 B14R1.20 O=C(CCCCF)c1cccc(c1)F 1458a_100000210950_100000729493 [0,1,0,0,0,1|2,0,0]=4 2287 B14R1.20 O=C(CCCCF)c1cccc(c1)I 1458a_100000184098_100000729493 [0,1,0,0,0,1|2,0,0]=4 2288 B14R1.20 O=C(CCCCF)c1cccc(c1)O 1458a_100000183914_100000729493 [0,1,0,0,0,1|2,0,0]=4 2289 B14R1.20 O=C(CCCCO)c1cccc(c1)Br 1458a_100000210664_100000210776 [0,1,0,0,0,1|2,0,0]=4 2290 B14R1.20 O=C(CCCCO)c1cccc(c1)Cl 1458a_100000210390_100000210776 [0,1,0,0,0,1|2,0,0]=4 2291 B14R1.20 O=C(CCCCO)c1cccc(c1)F 1458a_100000210950_100000210776 [0,1,0,0,0,1|2,0,0]=4 2292 B14R1.20 O=C(CCCCO)c1cccc(c1)I 1458a_100000184098_100000210776 [0,1,0,0,0,1|2,0,0]=4 2293 B14R1.20 O=C(CCCCO)c1cccc(c1)O 1458a_100000183914_100000210776 [0,1,0,0,0,1|2,0,0]=4 2294 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747444 [0,1,0,0,0,1|1,0,1]=4 2295 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000211992_100000211460 [0,1,0,0,0,1|1,0,1]=4 2296 B14R1.29 CCCC(=O)CC(=O)c1ccccn1 1458a_100000211992_100000027445 [0,1,0,0,0,1|1,0,1]=4 2297 B14R1.29 CCCC(=O)CC(=O)c1cccnc1 1458a_100000211992_100015188593 [0,1,0,0,0,1|1,0,1]=4 2298 B14R1.29 CCCC(=O)CC(=O)c1ccncc1 1458a_100000211992_100000027454 [0,1,0,0,0,1|1,0,1]=4 2299 B14R1.29 CCCC(=O)CC(=O)c1ncccn1 1458a_100000211992_100020636365 [0,1,0,0,0,1|1,0,1]=4 2300 B14R1.29 CCCC(C)CC(=O)C1=CCCCO1 1458a_100000764163_100011216630 [0,1,0,0,0,1|0,0,2]=4 2301 B14R1.29 CCCC(C)CC(=O)C1=COCCO1 1458a_100000008702_100011216630 [0,1,0,0,0,1|0,0,2]=4 2302 B14R1.29 CCCC(C)CC(=O)c1ccccc1 1458a_100000185807_100011216630 [0,1,0,0,0,1|1,0,0]=3 2303 B14R1.29 CCCC(C)NC(=O)c1ccccc1 11a_100000741246_100000185807 [0,1,0,0,0,1|2,0,0]=4 2304 B14R1.29 CCCC(C)NC(=O)c1ccccc1 1626a_100000741246_100000185807 [0,1,0,0,0,1|2,0,0]=4 2305 B14R1.29 CCCC(C)NC(=O)c1ccccc1 240690a_100000741246_100000185807 [0,1,0,0,0,1|2,0,0]=4 2306 B14R1.29 CCCC(C)NC(=O)c1ccccc1 527a_100000741246_100000185807 [0,1,0,0,0,1|2,0,0]=4 2307 B14R1.29 CCCN(C)CC(=O)c1ccccc1 269982a_100000747261_100000211460 [0,1,0,0,0,1|2,0,0]=4 2308 B14R1.29 CCCN(C)CC(=O)c1ccccn1 269982a_100000747261_100000027445 [0,1,0,0,0,1|2,0,0]=4 2309 B14R1.29 CCCN(C)CC(=O)c1cccnc1 269982a_100000747261_100000757877 [0,1,0,0,0,1|2,0,0]=4 2310 B14R1.29 CCCN(C)CC(=O)c1ccncc1 269982a_100000747261_100000027454 [0,1,0,0,0,1|2,0,0]=4 2311 B14R1.38 C#CCCCCC(=O)c1ccccc1 1458a_100000185807_100010269958 [0,1,0,0,0,1|1,0,1]=4 2312 B14R1.38 C=CCCCCC(=O)c1ccccc1 1458a_100000185807_100011215482 [0,1,0,0,0,1|1,0,1]=4 2313 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [0,1,0,0,0,1|1,0,1]=4 2314 B14R1.38 CCCCCCC(=O)C1=CCCCO1 1458a_100000764163_100000210757 [0,1,0,0,0,1|0,0,2]=4 2315 B14R1.38 CCCCCCC(=O)C1=COCCO1 1458a_100000008702_100000210757 [0,1,0,0,0,1|0,0,2]=4 2316 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [0,1,0,0,0,1|1,0,0]=3 2317 B14R1.38 CCCCCNC(=O)C1=CCCCO1 11a_100000209983_100000764163 [0,1,0,0,0,1|0,0,2]=4 2318 B14R1.38 CCCCCNC(=O)C1=CCCCO1 1626a_100000209983_100000764163 [0,1,0,0,0,1|0,0,2]=4 2319 B14R1.38 CCCCCNC(=O)C1=CCCCO1 240690a_100000209983_100000764163 [0,1,0,0,0,1|0,0,2]=4 2320 B14R1.38 CCCCCNC(=O)C1=CCCCO1 527a_100000209983_100000764163 [0,1,0,0,0,1|0,0,2]=4 2321 B14R1.38 CCCCCNC(=O)C1=COCCO1 11a_100000209983_100000008702 [0,1,0,0,0,1|0,0,2]=4 2322 B14R1.38 CCCCCNC(=O)C1=COCCO1 1626a_100000209983_100000008702 [0,1,0,0,0,1|0,0,2]=4 2323 B14R1.38 CCCCCNC(=O)C1=COCCO1 240690a_100000209983_100000008702 [0,1,0,0,0,1|0,0,2]=4 2324 B14R1.38 CCCCCNC(=O)C1=COCCO1 527a_100000209983_100000008702 [0,1,0,0,0,1|0,0,2]=4 2325 B14R1.38 CCCCCNC(=O)c1ccccc1 11a_100000209983_100000185807 [0,1,0,0,0,1|1,0,0]=3 2326 B14R1.38 CCCCCNC(=O)c1ccccc1 1626a_100000209983_100000185807 [0,1,0,0,0,1|1,0,0]=3 2327 B14R1.38 CCCCCNC(=O)c1ccccc1 240690a_100000209983_100000185807 [0,1,0,0,0,1|1,0,0]=3 2328 B14R1.38 CCCCCNC(=O)c1ccccc1 527a_100000209983_100000185807 [0,1,0,0,0,1|1,0,0]=3 2329 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [0,1,0,0,0,1|1,0,0]=3 2330 B14R1.38 CCCCNCC(=O)c1ccccn1 7a_106832991798_100000027445 [0,1,0,0,0,1|1,0,0]=3 2331 B14R1.38 CCCCNCC(=O)c1ccncc1 7a_106832991798_100015248511 [0,1,0,0,0,1|1,0,0]=3 2332 B14R1.38 CCCCNNC(=O)c1ccccc1 22a_100025702795_100000185807 [0,1,0,0,0,1|2,0,0]=4 2333 B14R1.38 CCCCOCC(=O)C1=CCCCO1 1458a_100000764163_100011995733 [0,1,0,0,0,1|0,0,2]=4 2334 B14R1.38 CCCCOCC(=O)C1=COCCO1 1458a_100000008702_100011995733 [0,1,0,0,0,1|0,0,2]=4 2335 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [0,1,0,0,0,1|1,0,0]=3 2336 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [0,1,0,0,0,1|1,0,0]=3 2337 B14R1.38 CCCCOCC(=O)c1ccccn1 34a_100000210227_100000027445 [0,1,0,0,0,1|1,0,0]=3 2338 B14R1.38 CCCCOCC(=O)c1ccccn1 7a_100000210227_100000027445 [0,1,0,0,0,1|1,0,0]=3 2339 B14R1.38 CCCCOCC(=O)c1ccncc1 7a_100000210227_100015248511 [0,1,0,0,0,1|1,0,0]=3 2340 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [0,1,0,0,0,1|1,0,0]=3 2341 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [0,1,0,0,0,1|1,0,0]=3 2342 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000027445_100000210210 [0,1,0,0,0,1|1,0,0]=3 2343 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000210211_100000027445 [0,1,0,0,0,1|1,0,0]=3 2344 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000210211_100000757877 [0,1,0,0,0,1|1,0,0]=3 2345 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000757877_100000210210 [0,1,0,0,0,1|1,0,0]=3 2346 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000027454_100000210210 [0,1,0,0,0,1|1,0,0]=3 2347 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000210211_100000027454 [0,1,0,0,0,1|1,0,0]=3 2348 B14R1.38 CCCCSCC(=O)c1ncccn1 62a_100000210211_100020636365 [0,1,0,0,0,1|1,0,0]=3 2349 B14R1.38 CCCCSCC(=O)c1ncccn1 62a_100020636365_100000210210 [0,1,0,0,0,1|1,0,0]=3 2350 B14R1.38 CCCCSCS(=O)c1ccccc1 62a_100000210211_100000031784 [0,1,0,0,0,1|2,0,0]=4 2351 B14R1.38 CCCOCCC(=O)C1=CCCCO1 1458a_100000764163_100011215938 [0,1,0,0,0,1|0,0,2]=4 2352 B14R1.38 CCCOCCC(=O)C1=COCCO1 1458a_100000008702_100011215938 [0,1,0,0,0,1|0,0,2]=4 2353 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [0,1,0,0,0,1|1,0,0]=3 2354 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000210303_100000750707 [0,1,0,0,0,1|1,0,0]=3 2355 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000750707_100000210303 [0,1,0,0,0,1|1,0,0]=3 2356 B14R1.38 CCCSCCS(=O)c1ccccc1 62a_100000210303_100000740319 [0,1,0,0,0,1|2,0,0]=4 2357 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000073877_100000210303 [0,1,0,0,0,1|2,0,0]=4 2358 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000210303_100000073877 [0,1,0,0,0,1|2,0,0]=4 2359 B14R1.38 CCNCCCC(=O)c1ccccc1 2230a_100015525214_100000211006 [0,1,0,0,0,1|1,0,0]=3 2360 B14R1.38 CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210202 [0,1,0,0,0,1|2,0,0]=4 2361 B14R1.38 CCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210202 [0,1,0,0,0,1|2,0,0]=4 2362 B14R1.38 CCOCCCC(=O)C1=CCCCO1 1458a_100000764163_100012232248 [0,1,0,0,0,1|0,0,2]=4 2363 B14R1.38 CCOCCCC(=O)C1=COCCO1 1458a_100000008702_100012232248 [0,1,0,0,0,1|0,0,2]=4 2364 B14R1.38 CCOCCCC(=O)c1ccccc1 1458a_100000185807_100012232248 [0,1,0,0,0,1|1,0,0]=3 2365 B14R1.38 CCOCCNC(=O)c1ccccc1 11a_100011200944_100000185807 [0,1,0,0,0,1|2,0,0]=4 2366 B14R1.38 CCOCCNC(=O)c1ccccc1 1626a_102516460346_100000185807 [0,1,0,0,0,1|2,0,0]=4 2367 B14R1.38 CCOCCNC(=O)c1ccccc1 240690a_100011200944_100000185807 [0,1,0,0,0,1|2,0,0]=4 2368 B14R1.38 CCOCCNC(=O)c1ccccc1 34a_200000158897_100000210202 [0,1,0,0,0,1|2,0,0]=4 2369 B14R1.38 CCOCCNC(=O)c1ccccc1 527a_100011200944_100000185807 [0,1,0,0,0,1|2,0,0]=4 2370 B14R1.38 CCOCCNC(=O)c1ccccc1 7a_200000158897_100000210202 [0,1,0,0,0,1|2,0,0]=4 2371 B14R1.38 CCOCCOC(=O)c1ccccc1 34a_100121572206_100009812718 [0,1,0,0,0,1|2,0,0]=4 2372 B14R1.38 CCOCCOC(=O)c1ccccc1 7a_100000025465_100000210202 [0,1,0,0,0,1|2,0,0]=4 2373 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000211460_100000739092 [0,1,0,0,0,1|2,0,0]=4 2374 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000739092_100000211460 [0,1,0,0,0,1|2,0,0]=4 2375 B14R1.38 CCOCSCC(=O)c1ccccn1 62a_100000027445_100000739092 [0,1,0,0,0,1|2,0,0]=4 2376 B14R1.38 CCOCSCC(=O)c1ccccn1 62a_100000739092_100000027445 [0,1,0,0,0,1|2,0,0]=4 2377 B14R1.38 CCOCSCC(=O)c1cccnc1 62a_100000739092_100000757877 [0,1,0,0,0,1|2,0,0]=4 2378 B14R1.38 CCOCSCC(=O)c1cccnc1 62a_100000757877_100000739092 [0,1,0,0,0,1|2,0,0]=4 2379 B14R1.38 CCOCSCC(=O)c1ccncc1 62a_100000027454_100000739092 [0,1,0,0,0,1|2,0,0]=4 2380 B14R1.38 CCOCSCC(=O)c1ccncc1 62a_100000739092_100000027454 [0,1,0,0,0,1|2,0,0]=4 2381 B14R1.38 CCOCSCC(=O)c1ncccn1 62a_100000739092_100020636365 [0,1,0,0,0,1|2,0,0]=4 2382 B14R1.38 CCOCSCC(=O)c1ncccn1 62a_100020636365_100000739092 [0,1,0,0,0,1|2,0,0]=4 2383 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000210202_100000211006 [0,1,0,0,0,1|1,0,0]=3 2384 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210202 [0,1,0,0,0,1|1,0,0]=3 2385 B14R1.38 CCSCCNC(=O)c1ccccc1 11a_100000106463_100000185807 [0,1,0,0,0,1|2,0,0]=4 2386 B14R1.38 CCSCCNC(=O)c1ccccc1 1626a_100000106463_100000185807 [0,1,0,0,0,1|2,0,0]=4 2387 B14R1.38 CCSCCNC(=O)c1ccccc1 240690a_100000106463_100000185807 [0,1,0,0,0,1|2,0,0]=4 2388 B14R1.38 CCSCCNC(=O)c1ccccc1 527a_100000106463_100000185807 [0,1,0,0,0,1|2,0,0]=4 2389 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_100000210202_200011215302 [0,1,0,0,0,1|2,0,0]=4 2390 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_200011215302_100000210202 [0,1,0,0,0,1|2,0,0]=4 2391 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100000210202_100009812718 [0,1,0,0,0,1|2,0,0]=4 2392 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210202 [0,1,0,0,0,1|2,0,0]=4 2393 B14R1.38 CNCCCOC(=O)c1ccccc1 34a_100102657272_200009892979 [0,1,0,0,0,1|2,0,0]=4 2394 B14R1.38 CNCCCOC(=O)c1ccccc1 7a_106832991635_200009892979 [0,1,0,0,0,1|2,0,0]=4 2395 B14R1.38 COCCCCC(=O)C1=CCCCO1 1458a_100000764163_100000755781 [0,1,0,0,0,1|0,0,2]=4 2396 B14R1.38 COCCCCC(=O)C1=COCCO1 1458a_100000008702_100000755781 [0,1,0,0,0,1|0,0,2]=4 2397 B14R1.38 COCCCCC(=O)c1ccccc1 1458a_100000185807_100000755781 [0,1,0,0,0,1|1,0,0]=3 2398 B14R1.38 COCCCNC(=O)c1ccccc1 1626a_100150723488_100000185807 [0,1,0,0,0,1|2,0,0]=4 2399 B14R1.38 COCCCNC(=O)c1ccccc1 240690a_100150723488_100000185807 [0,1,0,0,0,1|2,0,0]=4 2400 B14R1.38 COCCCNC(=O)c1ccccc1 527a_100150723488_100000185807 [0,1,0,0,0,1|2,0,0]=4 2401 B14R1.38 COCCCOC(=O)c1ccccc1 34a_100138415774_200009892979 [0,1,0,0,0,1|2,0,0]=4 2402 B14R1.38 COCCOCC(=O)c1ccccn1 34a_100000210237_100000027445 [0,1,0,0,0,1|2,0,0]=4 2403 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000211460_100000233755 [0,1,0,0,0,1|2,0,0]=4 2404 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000233755_100000211460 [0,1,0,0,0,1|2,0,0]=4 2405 B14R1.38 COCCSCC(=O)c1ccccn1 62a_100000027445_100000233755 [0,1,0,0,0,1|2,0,0]=4 2406 B14R1.38 COCCSCC(=O)c1ccccn1 62a_100000233755_100000027445 [0,1,0,0,0,1|2,0,0]=4 2407 B14R1.38 COCCSCC(=O)c1cccnc1 62a_100000233755_100000757877 [0,1,0,0,0,1|2,0,0]=4 2408 B14R1.38 COCCSCC(=O)c1cccnc1 62a_100000757877_100000233755 [0,1,0,0,0,1|2,0,0]=4 2409 B14R1.38 COCCSCC(=O)c1ccncc1 62a_100000027454_100000233755 [0,1,0,0,0,1|2,0,0]=4 2410 B14R1.38 COCCSCC(=O)c1ccncc1 62a_100000233755_100000027454 [0,1,0,0,0,1|2,0,0]=4 2411 B14R1.38 COCCSCC(=O)c1ncccn1 62a_100000233755_100020636365 [0,1,0,0,0,1|2,0,0]=4 2412 B14R1.38 COCCSCC(=O)c1ncccn1 62a_100020636365_100000233755 [0,1,0,0,0,1|2,0,0]=4 2413 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000750707_100000766300 [0,1,0,0,0,1|2,0,0]=4 2414 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000766300_100000750707 [0,1,0,0,0,1|2,0,0]=4 2415 B14R1.38 CSCCCNC(=O)c1ccccc1 11a_100000749238_100000185807 [0,1,0,0,0,1|2,0,0]=4 2416 B14R1.38 CSCCCNC(=O)c1ccccc1 1626a_100000749238_100000185807 [0,1,0,0,0,1|2,0,0]=4 2417 B14R1.38 CSCCCNC(=O)c1ccccc1 240690a_100000749238_100000185807 [0,1,0,0,0,1|2,0,0]=4 2418 B14R1.38 CSCCCNC(=O)c1ccccc1 527a_100000749238_100000185807 [0,1,0,0,0,1|2,0,0]=4 2419 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200000210301_200009892979 [0,1,0,0,0,1|2,0,0]=4 2420 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200009892979_200000210301 [0,1,0,0,0,1|2,0,0]=4 2421 B14R1.38 CSCCOCC(=O)c1ccccc1 7a_100000230434_100000211460 [0,1,0,0,0,1|2,0,0]=4 2422 B14R1.38 CSCCOCC(=O)c1ccccn1 34a_100000230434_100000027445 [0,1,0,0,0,1|2,0,0]=4 2423 B14R1.38 CSCCOCC(=O)c1ccccn1 7a_100000230434_100000027445 [0,1,0,0,0,1|2,0,0]=4 2424 B14R1.38 CSCCOCC(=O)c1ccncc1 7a_100000230434_100015248511 [0,1,0,0,0,1|2,0,0]=4 2425 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000211460_100000751147 [0,1,0,0,0,1|2,0,0]=4 2426 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000212216_100000211460 [0,1,0,0,0,1|2,0,0]=4 2427 B14R1.38 CSCCSCC(=O)c1ccccn1 62a_100000027445_100000751147 [0,1,0,0,0,1|2,0,0]=4 2428 B14R1.38 CSCCSCC(=O)c1ccccn1 62a_100000212216_100000027445 [0,1,0,0,0,1|2,0,0]=4 2429 B14R1.38 CSCCSCC(=O)c1cccnc1 62a_100000212216_100000757877 [0,1,0,0,0,1|2,0,0]=4 2430 B14R1.38 CSCCSCC(=O)c1cccnc1 62a_100000757877_100000751147 [0,1,0,0,0,1|2,0,0]=4 2431 B14R1.38 CSCCSCC(=O)c1ccncc1 62a_100000027454_100000751147 [0,1,0,0,0,1|2,0,0]=4 2432 B14R1.38 CSCCSCC(=O)c1ccncc1 62a_100000212216_100000027454 [0,1,0,0,0,1|2,0,0]=4 2433 B14R1.38 CSCCSCC(=O)c1ncccn1 62a_100000212216_100020636365 [0,1,0,0,0,1|2,0,0]=4 2434 B14R1.38 CSCCSCC(=O)c1ncccn1 62a_100020636365_100000751147 [0,1,0,0,0,1|2,0,0]=4 2435 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100000750707_100011218213 [0,1,0,0,0,1|2,0,0]=4 2436 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100011218213_100000750707 [0,1,0,0,0,1|2,0,0]=4 2437 B14R1.38 N#CCCCCC(=O)c1ccccc1 1458a_100000185807_100000211819 [0,1,0,0,0,1|1,0,1]=4 2438 B14R1.38 NCCCOCC(=O)c1ccccn1 34a_100000182051_100000027445 [0,1,0,0,0,1|2,0,0]=4 2439 B14R1.38 O=C(CCCCCF)C1=CCCCO1 1458a_100000764163_100000729378 [0,1,0,0,0,1|0,0,2]=4 2440 B14R1.38 O=C(CCCCCF)C1=COCCO1 1458a_100000008702_100000729378 [0,1,0,0,0,1|0,0,2]=4 2441 B14R1.38 O=C(CCCCCF)c1ccccc1 1458a_100000185807_100000729378 [0,1,0,0,0,1|1,0,0]=3 2442 B14R1.38 O=C(CCCCCO)C1=CCCCO1 1458a_100000764163_100000746330 [0,1,0,0,0,1|0,0,2]=4 2443 B14R1.38 O=C(CCCCCO)C1=COCCO1 1458a_100000008702_100000746330 [0,1,0,0,0,1|0,0,2]=4 2444 B14R1.38 O=C(CCCCCO)c1ccccc1 1458a_100000185807_100000746330 [0,1,0,0,0,1|1,0,0]=3 2445 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100000211006_100015361967 [0,1,0,0,0,1|2,0,0]=4 2446 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100015361967_100000211006 [0,1,0,0,0,1|2,0,0]=4 2447 B14R1.38 O=C(CCNCCO)c1ccccc1 2230a_100016997473_100000750707 [0,1,0,0,0,1|2,0,0]=4 2448 B14R1.38 O=C(CCOCCO)c1ccccc1 1458a_100000185807_100011215305 [0,1,0,0,0,1|2,0,0]=4 2449 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100000750707_100011217306 [0,1,0,0,0,1|2,0,0]=4 2450 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100011217306_100000750707 [0,1,0,0,0,1|2,0,0]=4 2451 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000211926_100000750707 [0,1,0,0,0,1|2,0,0]=4 2452 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000750707_100000211926 [0,1,0,0,0,1|2,0,0]=4 2453 B14R1.38 O=C(CNCCCF)c1ccccn1 34a_100015189416_100000027445 [0,1,0,0,0,1|2,0,0]=4 2454 B14R1.38 O=C(COCCCBr)c1ccccn1 34a_100011217188_100000027445 [0,1,0,0,0,1|2,0,0]=4 2455 B14R1.38 O=C(COCCCCl)c1ccccn1 34a_100000230001_100000027445 [0,1,0,0,0,1|2,0,0]=4 2456 B14R1.38 O=C(COCCCF)c1ccccn1 34a_100000759539_100000027445 [0,1,0,0,0,1|2,0,0]=4 2457 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100000211460_100011934791 [0,1,0,0,0,1|2,0,0]=4 2458 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100011934791_100000211460 [0,1,0,0,0,1|2,0,0]=4 2459 B14R1.38 O=C(CSCCCF)c1ccccn1 62a_100000027445_100011934791 [0,1,0,0,0,1|2,0,0]=4 2460 B14R1.38 O=C(CSCCCF)c1ccccn1 62a_100011934791_100000027445 [0,1,0,0,0,1|2,0,0]=4 2461 B14R1.38 O=C(CSCCCF)c1cccnc1 62a_100000757877_100011934791 [0,1,0,0,0,1|2,0,0]=4 2462 B14R1.38 O=C(CSCCCF)c1cccnc1 62a_100011934791_100000757877 [0,1,0,0,0,1|2,0,0]=4 2463 B14R1.38 O=C(CSCCCF)c1ccncc1 62a_100000027454_100011934791 [0,1,0,0,0,1|2,0,0]=4 2464 B14R1.38 O=C(CSCCCF)c1ccncc1 62a_100011934791_100000027454 [0,1,0,0,0,1|2,0,0]=4 2465 B14R1.38 O=C(CSCCCF)c1ncccn1 62a_100011934791_100020636365 [0,1,0,0,0,1|2,0,0]=4 2466 B14R1.38 O=C(CSCCCF)c1ncccn1 62a_100020636365_100011934791 [0,1,0,0,0,1|2,0,0]=4 2467 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100000211460_100011215043 [0,1,0,0,0,1|2,0,0]=4 2468 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100011215043_100000211460 [0,1,0,0,0,1|2,0,0]=4 2469 B14R1.38 O=C(CSCCCO)c1ccccn1 62a_100000027445_100011215043 [0,1,0,0,0,1|2,0,0]=4 2470 B14R1.38 O=C(CSCCCO)c1ccccn1 62a_100011215043_100000027445 [0,1,0,0,0,1|2,0,0]=4 2471 B14R1.38 O=C(CSCCCO)c1cccnc1 62a_100000757877_100011215043 [0,1,0,0,0,1|2,0,0]=4 2472 B14R1.38 O=C(CSCCCO)c1cccnc1 62a_100011215043_100000757877 [0,1,0,0,0,1|2,0,0]=4 2473 B14R1.38 O=C(CSCCCO)c1ccncc1 62a_100000027454_100011215043 [0,1,0,0,0,1|2,0,0]=4 2474 B14R1.38 O=C(CSCCCO)c1ccncc1 62a_100011215043_100000027454 [0,1,0,0,0,1|2,0,0]=4 2475 B14R1.38 O=C(CSCCCO)c1ncccn1 62a_100011215043_100020636365 [0,1,0,0,0,1|2,0,0]=4 2476 B14R1.38 O=C(CSCCCO)c1ncccn1 62a_100020636365_100011215043 [0,1,0,0,0,1|2,0,0]=4 2477 B14R1.38 O=C(NCCCCO)c1ccccc1 240690a_100000750430_100000185807 [0,1,0,0,0,1|2,0,0]=4 2478 B14R1.38 O=C(NCCCCO)c1ccccc1 527a_100000750430_100000185807 [0,1,0,0,0,1|2,0,0]=4 2479 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200009892979_200025704644 [0,1,0,0,0,1|2,0,0]=4 2480 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200025704644_200009892979 [0,1,0,0,0,1|2,0,0]=4 2481 B14R1.163 CC(CCC(=O)c1ccccc1)O[13CH3] 7a_200012571355_200025704644 [0,1,0,0,0,1|2,0,0]=4 2482 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [0,1,0,0,0,1|1,0,1]=4 2483 B14R1.163 CCC(C)CNC(=O)c1ccccc1 11a_100020588543_100000185807 [0,1,0,0,0,1|2,0,0]=4 2484 B14R1.163 CCC(C)CNC(=O)c1ccccc1 1626a_100020588543_100000185807 [0,1,0,0,0,1|2,0,0]=4 2485 B14R1.163 CCC(C)CNC(=O)c1ccccc1 240690a_100020588543_100000185807 [0,1,0,0,0,1|2,0,0]=4 2486 B14R1.163 CCC(C)CNC(=O)c1ccccc1 527a_100020588543_100000185807 [0,1,0,0,0,1|2,0,0]=4 2487 B14R1.163 CCC(C)OCC(=O)c1ccccc1 7a_100000210228_100000211460 [0,1,0,0,0,1|2,0,0]=4 2488 B14R1.163 CCC(C)OCC(=O)c1ccccn1 7a_100000210228_100000027445 [0,1,0,0,0,1|2,0,0]=4 2489 B14R1.163 CCC(C)OCC(=O)c1ccncc1 7a_100000210228_100015248511 [0,1,0,0,0,1|2,0,0]=4 2490 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000758301 [0,1,0,0,0,1|2,0,0]=4 2491 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000758301_100000211460 [0,1,0,0,0,1|2,0,0]=4 2492 B14R1.163 CCC(C)SCC(=O)c1ccccn1 62a_100000027445_100000758301 [0,1,0,0,0,1|2,0,0]=4 2493 B14R1.163 CCC(C)SCC(=O)c1ccccn1 62a_100000758301_100000027445 [0,1,0,0,0,1|2,0,0]=4 2494 B14R1.163 CCC(C)SCC(=O)c1cccnc1 62a_100000757877_100000758301 [0,1,0,0,0,1|2,0,0]=4 2495 B14R1.163 CCC(C)SCC(=O)c1cccnc1 62a_100000758301_100000757877 [0,1,0,0,0,1|2,0,0]=4 2496 B14R1.163 CCC(C)SCC(=O)c1ccncc1 62a_100000027454_100000758301 [0,1,0,0,0,1|2,0,0]=4 2497 B14R1.163 CCC(C)SCC(=O)c1ccncc1 62a_100000758301_100000027454 [0,1,0,0,0,1|2,0,0]=4 2498 B14R1.163 CCC(C)SCC(=O)c1ncccn1 62a_100000758301_100020636365 [0,1,0,0,0,1|2,0,0]=4 2499 B14R1.163 CCC(C)SCC(=O)c1ncccn1 62a_100020636365_100000758301 [0,1,0,0,0,1|2,0,0]=4 2500 B14R1.163 CCC(O)CNC(=O)c1ccccc1 11a_100011218483_100000185807 [0,1,0,0,0,1|2,0,0]=4 2501 B14R1.163 CCC(O)CNC(=O)c1ccccc1 240690a_100011218483_100000185807 [0,1,0,0,0,1|2,0,0]=4 2502 B14R1.163 CCC(O)CNC(=O)c1ccccc1 527a_100011218483_100000185807 [0,1,0,0,0,1|2,0,0]=4 2503 B14R1.163 CCN(C)CCC(=O)c1ccccc1 2230a_100000225621_100000750707 [0,1,0,0,0,1|2,0,0]=4 2504 B14R1.163 CCN(C)CCC(=O)c1ccccc1 269982a_100000225621_100000750707 [0,1,0,0,0,1|2,0,0]=4 2505 B14R1.163 COC(C)CCC(=O)c1ccccc1 7a_200012571355_200000210301 [0,1,0,0,0,1|2,0,0]=4 2506 B14R1.166 CCCCC(C)C(=O)C1=CCCCO1 1458a_100000764163_200011215066 [0,1,0,0,0,1|0,0,2]=4 2507 B14R1.166 CCCCC(C)C(=O)C1=COCCO1 1458a_100000008702_200011215066 [0,1,0,0,0,1|0,0,2]=4 2508 B14R1.166 CCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011215066 [0,1,0,0,0,1|1,0,0]=3 2509 B14R1.166 CCCCN(C)C(=O)c1ccccc1 11a_100000207549_100000185807 [0,1,0,0,0,1|2,0,0]=4 2510 B14R1.166 CCCCN(C)C(=O)c1ccccc1 1626a_100000207549_100000185807 [0,1,0,0,0,1|2,0,0]=4 2511 B14R1.166 CCCCN(C)C(=O)c1ccccc1 240690a_100000207549_100000185807 [0,1,0,0,0,1|2,0,0]=4 2512 B14R1.166 CCCCN(C)C(=O)c1ccccc1 527a_100000207549_100000185807 [0,1,0,0,0,1|2,0,0]=4 2513 B14R1.166 CCCSC(C)C(=O)c1ccccc1 62a_100000210303_100000239700 [0,1,0,0,0,1|2,0,0]=4 2514 B14R1.166 CCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210303 [0,1,0,0,0,1|2,0,0]=4 2515 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000070787_100000211006 [0,1,0,0,0,1|1,0,1]=4 2516 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215641 [0,1,0,0,0,1|1,0,1]=4 2517 B14R1.420 CC(Br)COCC(=O)c1ccccn1 34a_100012180447_100000027445 [0,1,0,0,0,1|2,0,0]=4 2518 B14R1.420 CC(C)CCCC(=O)C1=CCCCO1 1458a_100000764163_100011214892 [0,1,0,0,0,1|0,0,2]=4 2519 B14R1.420 CC(C)CCCC(=O)C1=COCCO1 1458a_100000008702_100011214892 [0,1,0,0,0,1|0,0,2]=4 2520 B14R1.420 CC(C)CCCC(=O)c1ccccc1 1458a_100000185807_100011214892 [0,1,0,0,0,1|1,0,0]=3 2521 B14R1.420 CC(C)CCNC(=O)c1ccccc1 11a_100000210545_100000185807 [0,1,0,0,0,1|2,0,0]=4 2522 B14R1.420 CC(C)CCNC(=O)c1ccccc1 1626a_100000210545_100000185807 [0,1,0,0,0,1|2,0,0]=4 2523 B14R1.420 CC(C)CCNC(=O)c1ccccc1 240690a_100000210545_100000185807 [0,1,0,0,0,1|2,0,0]=4 2524 B14R1.420 CC(C)CCNC(=O)c1ccccc1 527a_100000210545_100000185807 [0,1,0,0,0,1|2,0,0]=4 2525 B14R1.420 CC(C)CNCC(=O)c1ccccn1 34a_100000210953_100000027445 [0,1,0,0,0,1|2,0,0]=4 2526 B14R1.420 CC(C)COCC(=O)c1ccccn1 34a_100000210257_100000027445 [0,1,0,0,0,1|2,0,0]=4 2527 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000210624_100000211460 [0,1,0,0,0,1|2,0,0]=4 2528 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000211460_100000210760 [0,1,0,0,0,1|2,0,0]=4 2529 B14R1.420 CC(C)CSCC(=O)c1ccccn1 62a_100000027445_100000210760 [0,1,0,0,0,1|2,0,0]=4 2530 B14R1.420 CC(C)CSCC(=O)c1ccccn1 62a_100000210624_100000027445 [0,1,0,0,0,1|2,0,0]=4 2531 B14R1.420 CC(C)CSCC(=O)c1cccnc1 62a_100000210624_100000757877 [0,1,0,0,0,1|2,0,0]=4 2532 B14R1.420 CC(C)CSCC(=O)c1cccnc1 62a_100000757877_100000210760 [0,1,0,0,0,1|2,0,0]=4 2533 B14R1.420 CC(C)CSCC(=O)c1ccncc1 62a_100000027454_100000210760 [0,1,0,0,0,1|2,0,0]=4 2534 B14R1.420 CC(C)CSCC(=O)c1ccncc1 62a_100000210624_100000027454 [0,1,0,0,0,1|2,0,0]=4 2535 B14R1.420 CC(C)CSCC(=O)c1ncccn1 62a_100000210624_100020636365 [0,1,0,0,0,1|2,0,0]=4 2536 B14R1.420 CC(C)CSCC(=O)c1ncccn1 62a_100020636365_100000210760 [0,1,0,0,0,1|2,0,0]=4 2537 B14R1.420 CC(C)NCCC(=O)c1ccccc1 2230a_100138425928_100000750707 [0,1,0,0,0,1|2,0,0]=4 2538 B14R1.420 CC(C)OCCC(=O)c1ccccc1 1458a_100000185807_100000211751 [0,1,0,0,0,1|2,0,0]=4 2539 B14R1.420 CC(C)SCCC(=O)c1ccccc1 1458a_100000185807_100000730970 [0,1,0,0,0,1|2,0,0]=4 2540 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000210206_100000750707 [0,1,0,0,0,1|2,0,0]=4 2541 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000210206 [0,1,0,0,0,1|2,0,0]=4 2542 B14R1.420 CC(F)COCC(=O)c1ccccn1 34a_100015925927_100000027445 [0,1,0,0,0,1|2,0,0]=4 2543 B14R1.420 CC(O)CCCC(=O)C1=CCCCO1 1458a_100000764163_200000718107 [0,1,0,0,0,1|0,0,2]=4 2544 B14R1.420 CC(O)CCCC(=O)C1=COCCO1 1458a_100000008702_200000718107 [0,1,0,0,0,1|0,0,2]=4 2545 B14R1.420 CC(O)CCCC(=O)c1ccccc1 1458a_100000185807_200000718107 [0,1,0,0,0,1|1,0,0]=3 2546 B14R1.420 CC(O)CCNC(=O)c1ccccc1 240690a_200000755665_100000185807 [0,1,0,0,0,1|2,0,0]=4 2547 B14R1.420 CC(O)CCNC(=O)c1ccccc1 527a_200000755665_100000185807 [0,1,0,0,0,1|2,0,0]=4 2548 B14R1.420 CC(O)CNCC(=O)c1ccccn1 34a_100000210904_100000027445 [0,1,0,0,0,1|2,0,0]=4 2549 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011218427 [0,1,0,0,0,1|2,0,0]=4 2550 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100011218427_100000211460 [0,1,0,0,0,1|2,0,0]=4 2551 B14R1.420 CC(O)CSCC(=O)c1ccccn1 62a_100000027445_100011218427 [0,1,0,0,0,1|2,0,0]=4 2552 B14R1.420 CC(O)CSCC(=O)c1ccccn1 62a_100011218427_100000027445 [0,1,0,0,0,1|2,0,0]=4 2553 B14R1.420 CC(O)CSCC(=O)c1cccnc1 62a_100000757877_100011218427 [0,1,0,0,0,1|2,0,0]=4 2554 B14R1.420 CC(O)CSCC(=O)c1cccnc1 62a_100011218427_100000757877 [0,1,0,0,0,1|2,0,0]=4 2555 B14R1.420 CC(O)CSCC(=O)c1ccncc1 62a_100000027454_100011218427 [0,1,0,0,0,1|2,0,0]=4 2556 B14R1.420 CC(O)CSCC(=O)c1ccncc1 62a_100011218427_100000027454 [0,1,0,0,0,1|2,0,0]=4 2557 B14R1.420 CC(O)CSCC(=O)c1ncccn1 62a_100011218427_100020636365 [0,1,0,0,0,1|2,0,0]=4 2558 B14R1.420 CC(O)CSCC(=O)c1ncccn1 62a_100020636365_100011218427 [0,1,0,0,0,1|2,0,0]=4 2559 B14R1.420 CN(C)CCCC(=O)c1ccccc1 1458a_100000185807_100000695564 [0,1,0,0,0,1|2,0,0]=4 2560 B14R1.420 CN(C)CCCC(=O)c1ccccc1 2230a_100102631434_100000211006 [0,1,0,0,0,1|2,0,0]=4 2561 B14R1.420 CN(C)CCCC(=O)c1ccccc1 269982a_100102631434_100000211006 [0,1,0,0,0,1|2,0,0]=4 2562 B14R1.420 C[C@@H](Cl)COCC(=O)c1ccccn1 34a_100016084084_100000027445 [0,1,0,0,0,1|2,0,0]=4 2563 B14R1.420 C[C@@H](N)COCC(=O)c1ccccn1 34a_100000737577_100000027445 [0,1,0,0,0,1|2,0,0]=4 2564 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100000211460_100009817552 [0,1,0,0,0,1|2,0,0]=4 2565 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100009817552_100000211460 [0,1,0,0,0,1|2,0,0]=4 2566 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccn1 62a_100000027445_100009817552 [0,1,0,0,0,1|2,0,0]=4 2567 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccn1 62a_100009817552_100000027445 [0,1,0,0,0,1|2,0,0]=4 2568 B14R1.420 C[C@@H](O)CSCC(=O)c1cccnc1 62a_100000757877_100009817552 [0,1,0,0,0,1|2,0,0]=4 2569 B14R1.420 C[C@@H](O)CSCC(=O)c1cccnc1 62a_100009817552_100000757877 [0,1,0,0,0,1|2,0,0]=4 2570 B14R1.420 C[C@@H](O)CSCC(=O)c1ccncc1 62a_100000027454_100009817552 [0,1,0,0,0,1|2,0,0]=4 2571 B14R1.420 C[C@@H](O)CSCC(=O)c1ccncc1 62a_100009817552_100000027454 [0,1,0,0,0,1|2,0,0]=4 2572 B14R1.420 C[C@@H](O)CSCC(=O)c1ncccn1 62a_100009817552_100020636365 [0,1,0,0,0,1|2,0,0]=4 2573 B14R1.420 C[C@@H](O)CSCC(=O)c1ncccn1 62a_100020636365_100009817552 [0,1,0,0,0,1|2,0,0]=4 2574 B14R1.1035 CCCCCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210326 [0,1,0,0,0,1|0,0,2]=4 2575 B14R1.1035 CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210326 [0,1,0,0,0,1|1,0,0]=3 2576 B14R1.1035 CCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210326 [0,1,0,0,0,1|1,0,0]=3 2577 B14R1.1035 CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210326 [0,1,0,0,0,1|1,0,0]=3 2578 B14R1.1035 CCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210326 [0,1,0,0,0,1|1,0,0]=3 2579 B14R1.1035 CCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210326 [0,1,0,0,0,1|1,0,0]=3 2580 B14R1.1035 CCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210326 [0,1,0,0,0,1|1,0,0]=3 2581 B14R1.1035 CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210326 [0,1,0,0,0,1|1,0,0]=3 2582 B14R1.1035 CCCCNC(=O)c1ccccc1Br 11a_100000102301_100000188424 [0,1,0,0,0,1|2,0,0]=4 2583 B14R1.1035 CCCCNC(=O)c1ccccc1Br 1626a_100000102301_100000188424 [0,1,0,0,0,1|2,0,0]=4 2584 B14R1.1035 CCCCNC(=O)c1ccccc1Br 240690a_100000102301_100000188424 [0,1,0,0,0,1|2,0,0]=4 2585 B14R1.1035 CCCCNC(=O)c1ccccc1Br 527a_100000102301_100000188424 [0,1,0,0,0,1|2,0,0]=4 2586 B14R1.1035 CCCCNC(=O)c1ccccc1C 11a_100000102301_100000212026 [0,1,0,0,0,1|2,0,0]=4 2587 B14R1.1035 CCCCNC(=O)c1ccccc1C 1626a_100000102301_100000212026 [0,1,0,0,0,1|2,0,0]=4 2588 B14R1.1035 CCCCNC(=O)c1ccccc1C 240690a_100000102301_100000212026 [0,1,0,0,0,1|2,0,0]=4 2589 B14R1.1035 CCCCNC(=O)c1ccccc1C 527a_100000102301_100000212026 [0,1,0,0,0,1|2,0,0]=4 2590 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 11a_100000102301_100000185844 [0,1,0,0,0,1|2,0,0]=4 2591 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 1626a_100000102301_100000185844 [0,1,0,0,0,1|2,0,0]=4 2592 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 240690a_100000102301_100000185844 [0,1,0,0,0,1|2,0,0]=4 2593 B14R1.1035 CCCCNC(=O)c1ccccc1Cl 527a_100000102301_100000185844 [0,1,0,0,0,1|2,0,0]=4 2594 B14R1.1035 CCCCNC(=O)c1ccccc1F 11a_100000102301_100000188656 [0,1,0,0,0,1|2,0,0]=4 2595 B14R1.1035 CCCCNC(=O)c1ccccc1F 1626a_100000102301_100000188656 [0,1,0,0,0,1|2,0,0]=4 2596 B14R1.1035 CCCCNC(=O)c1ccccc1F 240690a_100000102301_100000188656 [0,1,0,0,0,1|2,0,0]=4 2597 B14R1.1035 CCCCNC(=O)c1ccccc1F 527a_100000102301_100000188656 [0,1,0,0,0,1|2,0,0]=4 2598 B14R1.1035 CCCCNC(=O)c1ccccc1I 11a_100000102301_100000187884 [0,1,0,0,0,1|2,0,0]=4 2599 B14R1.1035 CCCCNC(=O)c1ccccc1I 1626a_100000102301_100000187884 [0,1,0,0,0,1|2,0,0]=4 2600 B14R1.1035 CCCCNC(=O)c1ccccc1I 240690a_100000102301_100000187884 [0,1,0,0,0,1|2,0,0]=4 2601 B14R1.1035 CCCCNC(=O)c1ccccc1I 527a_100000102301_100000187884 [0,1,0,0,0,1|2,0,0]=4 2602 B14R1.1035 CCCCNC(=O)c1ccccc1O 240690a_100000102301_100015234032 [0,1,0,0,0,1|2,0,0]=4 2603 B14R1.1035 CCCCNC(=O)c1ccccc1O 271570a_203496583355_200000154865 [0,1,0,0,0,1|2,0,0]=4 2604 B14R1.1035 CCCCNC(=O)c1ccccc1[O-] 1626a_100000102301_100009911694 [0,1,0,0,0,1|2,0,0]=4 2605 B14R1.1035 CCCCNC(=O)c1ccccc1[O-] 240690a_100000102301_100009911694 [0,1,0,0,0,1|2,0,0]=4 2606 B14R1.1035 CCCCNC(=O)c1ccccc1[O-] 527a_100000102301_100009911694 [0,1,0,0,0,1|2,0,0]=4 2607 B14R1.1035 CCCOCC(=O)c1ccccc1Br 34a_100000210258_100000199116 [0,1,0,0,0,1|2,0,0]=4 2608 B14R1.1035 CCCOCC(=O)c1ccccc1C 34a_100000210258_100000741374 [0,1,0,0,0,1|2,0,0]=4 2609 B14R1.1035 CCCOCC(=O)c1ccccc1Cl 34a_100000210258_100000211432 [0,1,0,0,0,1|2,0,0]=4 2610 B14R1.1035 CCCOCC(=O)c1ccccc1F 34a_100000210258_100000204681 [0,1,0,0,0,1|2,0,0]=4 2611 B14R1.1035 CCCSCC(=O)c1ccccc1Br 62a_100000199116_100000210303 [0,1,0,0,0,1|2,0,0]=4 2612 B14R1.1035 CCCSCC(=O)c1ccccc1C 62a_100000210303_100000741374 [0,1,0,0,0,1|2,0,0]=4 2613 B14R1.1035 CCCSCC(=O)c1ccccc1C 62a_100000741374_100000210303 [0,1,0,0,0,1|2,0,0]=4 2614 B14R1.1035 CCCSCC(=O)c1ccccc1Cl 62a_100000210303_100000211432 [0,1,0,0,0,1|2,0,0]=4 2615 B14R1.1035 CCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210303 [0,1,0,0,0,1|2,0,0]=4 2616 B14R1.1035 CCCSCC(=O)c1ccccc1F 62a_100000204681_100000210303 [0,1,0,0,0,1|2,0,0]=4 2617 B14R1.1035 CCCSCC(=O)c1ccccc1F 62a_100000210303_100000204681 [0,1,0,0,0,1|2,0,0]=4 2618 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000188908_100000210303 [0,1,0,0,0,1|2,0,0]=4 2619 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000210303_100000188908 [0,1,0,0,0,1|2,0,0]=4 2620 B14R1.1035 CCNCCC(=O)c1ccccc1F 2230a_100015525214_100000086012 [0,1,0,0,0,1|2,0,0]=4 2621 B14R1.1035 CCOCCC(=O)c1ccccc1Br 1458a_100000188424_100011215890 [0,1,0,0,0,1|2,0,0]=4 2622 B14R1.1035 CCOCCC(=O)c1ccccc1C 1458a_100000212026_100011215890 [0,1,0,0,0,1|2,0,0]=4 2623 B14R1.1035 CCOCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215890 [0,1,0,0,0,1|2,0,0]=4 2624 B14R1.1035 CCOCCC(=O)c1ccccc1F 1458a_100000188656_100011215890 [0,1,0,0,0,1|2,0,0]=4 2625 B14R1.1035 CCOCCC(=O)c1ccccc1I 1458a_100000187884_100011215890 [0,1,0,0,0,1|2,0,0]=4 2626 B14R1.1035 CCOCCC(=O)c1ccccc1O 1458a_100015234032_100011215890 [0,1,0,0,0,1|2,0,0]=4 2627 B14R1.1035 CCOCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215890 [0,1,0,0,0,1|2,0,0]=4 2628 B14R1.1035 CCSCCC(=O)c1ccccc1Br 1458a_100000188424_100000757381 [0,1,0,0,0,1|2,0,0]=4 2629 B14R1.1035 CCSCCC(=O)c1ccccc1C 1458a_100000212026_100000757381 [0,1,0,0,0,1|2,0,0]=4 2630 B14R1.1035 CCSCCC(=O)c1ccccc1Cl 1458a_100000185844_100000757381 [0,1,0,0,0,1|2,0,0]=4 2631 B14R1.1035 CCSCCC(=O)c1ccccc1F 1458a_100000188656_100000757381 [0,1,0,0,0,1|2,0,0]=4 2632 B14R1.1035 CCSCCC(=O)c1ccccc1F 62a_100000086012_100000210202 [0,1,0,0,0,1|2,0,0]=4 2633 B14R1.1035 CCSCCC(=O)c1ccccc1F 62a_100000210202_100000086012 [0,1,0,0,0,1|2,0,0]=4 2634 B14R1.1035 CCSCCC(=O)c1ccccc1I 1458a_100000187884_100000757381 [0,1,0,0,0,1|2,0,0]=4 2635 B14R1.1035 CCSCCC(=O)c1ccccc1O 1458a_100015234032_100000757381 [0,1,0,0,0,1|2,0,0]=4 2636 B14R1.1035 CCSCCC(=O)c1ccccc1O 62a_100000210202_100009873196 [0,1,0,0,0,1|2,0,0]=4 2637 B14R1.1035 CCSCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000757381 [0,1,0,0,0,1|2,0,0]=4 2638 B14R1.1035 COCCCC(=O)c1ccccc1Br 1458a_100000188424_100000740836 [0,1,0,0,0,1|2,0,0]=4 2639 B14R1.1035 COCCCC(=O)c1ccccc1C 1458a_100000212026_100000740836 [0,1,0,0,0,1|2,0,0]=4 2640 B14R1.1035 COCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000740836 [0,1,0,0,0,1|2,0,0]=4 2641 B14R1.1035 COCCCC(=O)c1ccccc1F 1458a_100000188656_100000740836 [0,1,0,0,0,1|2,0,0]=4 2642 B14R1.1035 COCCCC(=O)c1ccccc1I 1458a_100000187884_100000740836 [0,1,0,0,0,1|2,0,0]=4 2643 B14R1.1035 COCCCC(=O)c1ccccc1O 1458a_100015234032_100000740836 [0,1,0,0,0,1|2,0,0]=4 2644 B14R1.1035 COCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000740836 [0,1,0,0,0,1|2,0,0]=4 2645 B14R1.1035 Cc1ccccc1C(=O)CCCCF 1458a_100000212026_100000729493 [0,1,0,0,0,1|2,0,0]=4 2646 B14R1.1035 Cc1ccccc1C(=O)CCCCO 1458a_100000212026_100000210776 [0,1,0,0,0,1|2,0,0]=4 2647 B14R1.1035 O=C(CCCCF)c1ccccc1Br 1458a_100000188424_100000729493 [0,1,0,0,0,1|2,0,0]=4 2648 B14R1.1035 O=C(CCCCF)c1ccccc1Cl 1458a_100000185844_100000729493 [0,1,0,0,0,1|2,0,0]=4 2649 B14R1.1035 O=C(CCCCF)c1ccccc1F 1458a_100000188656_100000729493 [0,1,0,0,0,1|2,0,0]=4 2650 B14R1.1035 O=C(CCCCF)c1ccccc1I 1458a_100000187884_100000729493 [0,1,0,0,0,1|2,0,0]=4 2651 B14R1.1035 O=C(CCCCF)c1ccccc1O 1458a_100015234032_100000729493 [0,1,0,0,0,1|2,0,0]=4 2652 B14R1.1035 O=C(CCCCF)c1ccccc1[O-] 1458a_100009911694_100000729493 [0,1,0,0,0,1|2,0,0]=4 2653 B14R1.1035 O=C(CCCCO)c1ccccc1Br 1458a_100000188424_100000210776 [0,1,0,0,0,1|2,0,0]=4 2654 B14R1.1035 O=C(CCCCO)c1ccccc1Cl 1458a_100000185844_100000210776 [0,1,0,0,0,1|2,0,0]=4 2655 B14R1.1035 O=C(CCCCO)c1ccccc1F 1458a_100000188656_100000210776 [0,1,0,0,0,1|2,0,0]=4 2656 B14R1.1035 O=C(CCCCO)c1ccccc1I 1458a_100000187884_100000210776 [0,1,0,0,0,1|2,0,0]=4 2657 B14R1.1035 O=C(CCCCO)c1ccccc1O 1458a_100015234032_100000210776 [0,1,0,0,0,1|2,0,0]=4 2658 B14R1.1035 O=C(CCCCO)c1ccccc1[O-] 1458a_100009911694_100000210776 [0,1,0,0,0,1|2,0,0]=4 2659 B14R1.92 C#CCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100010269958 [0,1,0,0,0,1|1,0,1]=4 2660 B14R1.92 C#CCCCCC(=O)Cc1ccco1 1458a_100011217309_100010269958 [0,1,0,0,0,1|0,0,1]=3 2661 B14R1.92 C#CCCCCC(=O)Cc1cccs1 1458a_100000210189_100010269958 [0,1,0,0,0,1|0,1,1]=4 2662 B14R1.92 C#CCCCCC(=O)Cc1ncco1 1458a_100000696528_103436540062 [0,1,0,0,0,1|1,0,1]=4 2663 B14R1.92 C#CCCCNC(=O)Cc1ccco1 11a_100000718082_100011217309 [0,1,0,0,0,1|0,0,2]=4 2664 B14R1.92 C#CCCCNC(=O)Cc1ccco1 527a_100000718082_100011217309 [0,1,0,0,0,1|0,0,2]=4 2665 B14R1.92 C#CCOCCC(=O)Cc1ccco1 1458a_100011217309_100010402529 [0,1,0,0,0,1|0,0,2]=4 2666 B14R1.92 C=CCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011215482 [0,1,0,0,0,1|1,0,1]=4 2667 B14R1.92 C=CCCCCC(=O)Cc1ccco1 1458a_100011217309_100011215482 [0,1,0,0,0,1|0,0,1]=3 2668 B14R1.92 C=CCCCCC(=O)Cc1cccs1 1458a_100000210189_100011215482 [0,1,0,0,0,1|0,1,1]=4 2669 B14R1.92 C=CCCCCC(=O)Cc1ncco1 1458a_100011215552_103436540062 [0,1,0,0,0,1|1,0,1]=4 2670 B14R1.92 C=CCCCNC(=O)Cc1ccco1 11a_100000700776_100011217309 [0,1,0,0,0,1|0,0,2]=4 2671 B14R1.92 C=CCCCNC(=O)Cc1ccco1 527a_100000700776_100011217309 [0,1,0,0,0,1|0,0,2]=4 2672 B14R1.92 CC/C=C\CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100015370543 [0,1,0,0,0,1|1,0,1]=4 2673 B14R1.92 CC/C=C\CCC(=O)Cc1ccco1 1458a_100011217309_100015370543 [0,1,0,0,0,1|0,0,1]=3 2674 B14R1.92 CC/C=C\CCC(=O)Cc1cccs1 1458a_100000210189_100015370543 [0,1,0,0,0,1|0,1,1]=4 2675 B14R1.92 CCC/C=C/CC(=O)Cc1ncco1 1458a_200016266809_103436540062 [0,1,0,0,0,1|1,0,1]=4 2676 B14R1.92 CCCCC=CC(=O)Cc1ncco1 1458a_100016266645_103436540062 [0,1,0,0,0,1|1,0,1]=4 2677 B14R1.92 CCCCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210757 [0,1,0,0,0,1|2,0,0]=4 2678 B14R1.92 CCCCCCC(=O)Cc1c[nH]cn1 1458a_100102632555_100000707719 [0,1,0,0,0,1|2,0,0]=4 2679 B14R1.92 CCCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210757 [0,1,0,0,0,1|1,0,0]=3 2680 B14R1.92 CCCCCCC(=O)Cc1ccco1 1458a_100011217309_100000210757 [0,1,0,0,0,1|0,0,0]=2 2681 B14R1.92 CCCCCCC(=O)Cc1cccs1 1458a_100000210189_100000210757 [0,1,0,0,0,1|0,1,0]=3 2682 B14R1.92 CCCCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210757 [0,1,0,0,0,1|2,0,0]=4 2683 B14R1.92 CCCCCCC(=O)Cc1ccn[nH]1 1458a_100102632555_100000728653 [0,1,0,0,0,1|2,0,0]=4 2684 B14R1.92 CCCCCCC(=O)Cc1ccoc1 1458a_100000684892_100000210757 [0,1,0,0,0,1|2,0,0]=4 2685 B14R1.92 CCCCCCC(=O)Cc1ccon1 1458a_100102632555_100000234950 [0,1,0,0,0,1|2,0,0]=4 2686 B14R1.92 CCCCCCC(=O)Cc1ccsc1 1458a_100000184062_100000210757 [0,1,0,0,0,1|2,0,0]=4 2687 B14R1.92 CCCCCCC(=O)Cc1ccsc1 1458a_100102632555_100011233845 [0,1,0,0,0,1|2,0,0]=4 2688 B14R1.92 CCCCCCC(=O)Cc1cncs1 1458a_100102632555_100015185245 [0,1,0,0,0,1|1,1,0]=4 2689 B14R1.92 CCCCCCC(=O)Cc1cscn1 1458a_100011438297_100000210757 [0,1,0,0,0,1|2,0,0]=4 2690 B14R1.92 CCCCCCC(=O)Cc1cscn1 1458a_100102632555_100000205941 [0,1,0,0,0,1|2,0,0]=4 2691 B14R1.92 CCCCCCC(=O)Cc1ncco1 1458a_100102632555_103436540062 [0,1,0,0,0,1|1,0,0]=3 2692 B14R1.92 CCCCCCC(=O)Cc1nccs1 1458a_100102632555_100015184050 [0,1,0,0,0,1|1,1,0]=4 2693 B14R1.92 CCCCCCC(=O)Cn1cccc1 1458a_100011196272_100000210757 [0,1,0,0,0,1|2,0,0]=4 2694 B14R1.92 CCCCCCC(=O)Cn1cccn1 1458a_100000233772_100000210757 [0,1,0,0,0,1|2,0,0]=4 2695 B14R1.92 CCCCCCC(C)Sc1ccco1 62a_100009814098_100011215978 [0,1,0,0,0,1|1,0,1]=4 2696 B14R1.92 CCCCCCC(C)Sc1ccco1 62a_100011215978_100009814098 [0,1,0,0,0,1|1,0,1]=4 2697 B14R1.92 CCCCCCN(C)Cc1ccco1 2230a_100000185268_100000210314 [0,1,0,0,0,1|2,0,0]=4 2698 B14R1.92 CCCCCCN(C)Cc1ccco1 269982a_100000185268_100000210757 [0,1,0,0,0,1|2,0,0]=4 2699 B14R1.92 CCCCCCN(C)Cc1ccco1 270004a_106256046315_100000186105 [0,1,0,0,0,1|2,0,0]=4 2700 B14R1.92 CCCCCNC(=O)Cc1c[nH]cn1 240690a_100000209983_100015291406 [0,1,0,0,0,1|2,0,0]=4 2701 B14R1.92 CCCCCNC(=O)Cc1ccc[nH]1 11a_100000209983_100000238377 [0,1,0,0,0,1|1,0,0]=3 2702 B14R1.92 CCCCCNC(=O)Cc1ccc[nH]1 240690a_100000209983_100000238377 [0,1,0,0,0,1|1,0,0]=3 2703 B14R1.92 CCCCCNC(=O)Cc1ccc[nH]1 527a_100000209983_100000238377 [0,1,0,0,0,1|1,0,0]=3 2704 B14R1.92 CCCCCNC(=O)Cc1ccco1 11a_100000209983_100011217309 [0,1,0,0,0,1|0,0,0]=2 2705 B14R1.92 CCCCCNC(=O)Cc1ccco1 527a_100000209983_100011217309 [0,1,0,0,0,1|0,0,0]=2 2706 B14R1.92 CCCCCNC(=O)Cc1cccs1 11a_100000209983_100000210189 [0,1,0,0,0,1|0,1,0]=3 2707 B14R1.92 CCCCCNC(=O)Cc1cccs1 1626a_100000209983_100000210189 [0,1,0,0,0,1|0,1,0]=3 2708 B14R1.92 CCCCCNC(=O)Cc1cccs1 240690a_100000209983_100000210189 [0,1,0,0,0,1|0,1,0]=3 2709 B14R1.92 CCCCCNC(=O)Cc1ccn[nH]1 11a_100000209983_100000752941 [0,1,0,0,0,1|2,0,0]=4 2710 B14R1.92 CCCCCNC(=O)Cc1ccn[nH]1 1626a_100000209983_100000752941 [0,1,0,0,0,1|2,0,0]=4 2711 B14R1.92 CCCCCNC(=O)Cc1ccn[nH]1 240690a_100000209983_100000752941 [0,1,0,0,0,1|2,0,0]=4 2712 B14R1.92 CCCCCNC(=O)Cc1ccn[nH]1 527a_100000209983_100000752941 [0,1,0,0,0,1|2,0,0]=4 2713 B14R1.92 CCCCCNC(=O)Cc1ccoc1 11a_100000209983_100000684892 [0,1,0,0,0,1|2,0,0]=4 2714 B14R1.92 CCCCCNC(=O)Cc1ccoc1 1626a_100000209983_100000684892 [0,1,0,0,0,1|2,0,0]=4 2715 B14R1.92 CCCCCNC(=O)Cc1ccoc1 240690a_100000209983_100000684892 [0,1,0,0,0,1|2,0,0]=4 2716 B14R1.92 CCCCCNC(=O)Cc1ccoc1 527a_100000209983_100000684892 [0,1,0,0,0,1|2,0,0]=4 2717 B14R1.92 CCCCCNC(=O)Cc1ccsc1 11a_100000209983_100000184062 [0,1,0,0,0,1|2,0,0]=4 2718 B14R1.92 CCCCCNC(=O)Cc1ccsc1 1626a_100000209983_100000184062 [0,1,0,0,0,1|2,0,0]=4 2719 B14R1.92 CCCCCNC(=O)Cc1ccsc1 240690a_100000209983_100000184062 [0,1,0,0,0,1|2,0,0]=4 2720 B14R1.92 CCCCCNC(=O)Cc1ccsc1 527a_100000209983_100000184062 [0,1,0,0,0,1|2,0,0]=4 2721 B14R1.92 CCCCCNC(=O)Cc1cscn1 11a_100000209983_100011438297 [0,1,0,0,0,1|2,0,0]=4 2722 B14R1.92 CCCCCNC(=O)Cc1cscn1 1626a_100000209983_100011438297 [0,1,0,0,0,1|2,0,0]=4 2723 B14R1.92 CCCCCNC(=O)Cc1cscn1 240690a_100000209983_100011438297 [0,1,0,0,0,1|2,0,0]=4 2724 B14R1.92 CCCCCNC(=O)Cc1cscn1 527a_100000209983_100011438297 [0,1,0,0,0,1|2,0,0]=4 2725 B14R1.92 CCCCCNC(=O)Cn1cccc1 11a_100000209983_100011196272 [0,1,0,0,0,1|2,0,0]=4 2726 B14R1.92 CCCCCNC(=O)Cn1cccc1 1626a_100000209983_100011196272 [0,1,0,0,0,1|2,0,0]=4 2727 B14R1.92 CCCCCNC(=O)Cn1cccc1 527a_100000209983_100011196272 [0,1,0,0,0,1|2,0,0]=4 2728 B14R1.92 CCCCCNC(=O)Cn1cccn1 11a_100000209983_100000233772 [0,1,0,0,0,1|2,0,0]=4 2729 B14R1.92 CCCCCNC(=O)Cn1cccn1 1626a_100000209983_100000233772 [0,1,0,0,0,1|2,0,0]=4 2730 B14R1.92 CCCCCNC(=O)Cn1cccn1 240690a_100000209983_100000233772 [0,1,0,0,0,1|2,0,0]=4 2731 B14R1.92 CCCCCNC(=O)Cn1cccn1 527a_100000209983_100000233772 [0,1,0,0,0,1|2,0,0]=4 2732 B14R1.92 CCCCCNC(C)Cc1ccco1 270004a_100000209983_100011216958 [0,1,0,0,0,1|1,0,1]=4 2733 B14R1.92 CCCCCOC(C)Cc1ccco1 34a_100011803939_100000718602 [0,1,0,0,0,1|1,0,1]=4 2734 B14R1.92 CCCCCOC(C)Cc1ccco1 7a_100011803939_100000210326 [0,1,0,0,0,1|1,0,1]=4 2735 B14R1.92 CCCCNCC(=O)Nc1ccon1 2230a_100000102301_100000239699 [0,1,0,0,0,1|2,0,0]=4 2736 B14R1.92 CCCCNCC(=O)Nc1ccon1 7a_106832991798_100000239699 [0,1,0,0,0,1|2,0,0]=4 2737 B14R1.92 CCCCNCC(=O)Nc1nccs1 2230a_100000102301_100000183294 [0,1,0,0,0,1|1,1,0]=4 2738 B14R1.92 CCCCNCC(=O)Nc1nccs1 7a_106832991798_100000183294 [0,1,0,0,0,1|1,1,0]=4 2739 B14R1.92 CCCCNNC(=O)Cc1ccc[nH]1 22a_100025702795_100000238377 [0,1,0,0,0,1|2,0,0]=4 2740 B14R1.92 CCCCNNC(=O)Cc1ccco1 22a_100025702795_100011217309 [0,1,0,0,0,1|1,0,0]=3 2741 B14R1.92 CCCCNNC(=O)Cc1cccs1 22a_100025702795_100000210189 [0,1,0,0,0,1|1,1,0]=4 2742 B14R1.92 CCCCOCC(=O)Cc1c[nH]cn1 1458a_100000757543_100000707719 [0,1,0,0,0,1|2,0,0]=4 2743 B14R1.92 CCCCOCC(=O)Cc1c[nH]cn1 1458a_100015291406_100011995733 [0,1,0,0,0,1|2,0,0]=4 2744 B14R1.92 CCCCOCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011995733 [0,1,0,0,0,1|1,0,0]=3 2745 B14R1.92 CCCCOCC(=O)Cc1ccco1 1458a_100011217309_100011995733 [0,1,0,0,0,1|0,0,0]=2 2746 B14R1.92 CCCCOCC(=O)Cc1cccs1 1458a_100000210189_100011995733 [0,1,0,0,0,1|0,1,0]=3 2747 B14R1.92 CCCCOCC(=O)Cc1ccn[nH]1 1458a_100000752941_100011995733 [0,1,0,0,0,1|2,0,0]=4 2748 B14R1.92 CCCCOCC(=O)Cc1ccn[nH]1 1458a_100000757543_100000728653 [0,1,0,0,0,1|2,0,0]=4 2749 B14R1.92 CCCCOCC(=O)Cc1ccoc1 1458a_100000684892_100011995733 [0,1,0,0,0,1|2,0,0]=4 2750 B14R1.92 CCCCOCC(=O)Cc1ccon1 1458a_100000757543_100000234950 [0,1,0,0,0,1|2,0,0]=4 2751 B14R1.92 CCCCOCC(=O)Cc1ccsc1 1458a_100000184062_100011995733 [0,1,0,0,0,1|2,0,0]=4 2752 B14R1.92 CCCCOCC(=O)Cc1ccsc1 1458a_100000757543_100011233845 [0,1,0,0,0,1|2,0,0]=4 2753 B14R1.92 CCCCOCC(=O)Cc1cncs1 1458a_100000757543_100015185245 [0,1,0,0,0,1|1,1,0]=4 2754 B14R1.92 CCCCOCC(=O)Cc1cscn1 1458a_100000757543_100000205941 [0,1,0,0,0,1|2,0,0]=4 2755 B14R1.92 CCCCOCC(=O)Cc1cscn1 1458a_100011438297_100011995733 [0,1,0,0,0,1|2,0,0]=4 2756 B14R1.92 CCCCOCC(=O)Cc1ncco1 1458a_100000757543_103436540062 [0,1,0,0,0,1|1,0,0]=3 2757 B14R1.92 CCCCOCC(=O)Cc1nccs1 1458a_100000757543_100015184050 [0,1,0,0,0,1|1,1,0]=4 2758 B14R1.92 CCCCOCC(=O)Cn1cccc1 1458a_100011196272_100011995733 [0,1,0,0,0,1|2,0,0]=4 2759 B14R1.92 CCCCOCC(=O)Cn1cccn1 1458a_100000233772_100011995733 [0,1,0,0,0,1|2,0,0]=4 2760 B14R1.92 CCCCOCC(=O)Nc1ccon1 7a_100000210227_100000239699 [0,1,0,0,0,1|2,0,0]=4 2761 B14R1.92 CCCCOCC(=O)Nc1nccs1 7a_100000210227_100000183294 [0,1,0,0,0,1|1,1,0]=4 2762 B14R1.92 CCCCOCN(C)Cc1ccco1 2230a_100000185268_100011995733 [0,1,0,0,0,1|2,0,0]=4 2763 B14R1.92 CCCCOCN(C)Cc1ccco1 269982a_100000185268_100011995733 [0,1,0,0,0,1|2,0,0]=4 2764 B14R1.92 CCCCSCC(=O)Cc1c[nH]cn1 1458a_100000191162_100000707719 [0,1,0,0,0,1|2,0,0]=4 2765 B14R1.92 CCCCSCC(=O)Cc1ccn[nH]1 1458a_100000191162_100000728653 [0,1,0,0,0,1|2,0,0]=4 2766 B14R1.92 CCCCSCC(=O)Cc1ccon1 1458a_100000191162_100000234950 [0,1,0,0,0,1|2,0,0]=4 2767 B14R1.92 CCCCSCC(=O)Cc1ccsc1 1458a_100000191162_100011233845 [0,1,0,0,0,1|2,0,0]=4 2768 B14R1.92 CCCCSCC(=O)Cc1cncs1 1458a_100000191162_100015185245 [0,1,0,0,0,1|1,1,0]=4 2769 B14R1.92 CCCCSCC(=O)Cc1cscn1 1458a_100000191162_100000205941 [0,1,0,0,0,1|2,0,0]=4 2770 B14R1.92 CCCCSCC(=O)Cc1ncco1 1458a_100000191162_103436540062 [0,1,0,0,0,1|1,0,0]=3 2771 B14R1.92 CCCCSCC(=O)Cc1nccs1 1458a_100000191162_100015184050 [0,1,0,0,0,1|1,1,0]=4 2772 B14R1.92 CCCCSCC(=O)Nc1ccon1 62a_100000210211_100000239699 [0,1,0,0,0,1|2,0,0]=4 2773 B14R1.92 CCCCSCC(=O)Nc1ccon1 62a_100000239699_100000210210 [0,1,0,0,0,1|2,0,0]=4 2774 B14R1.92 CCCCSCC(=O)Nc1nccs1 62a_100000183294_100000210210 [0,1,0,0,0,1|1,1,0]=4 2775 B14R1.92 CCCCSCC(=O)Nc1nccs1 62a_100000210211_100000183294 [0,1,0,0,0,1|1,1,0]=4 2776 B14R1.92 CCCOCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100011215938 [0,1,0,0,0,1|2,0,0]=4 2777 B14R1.92 CCCOCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011215938 [0,1,0,0,0,1|1,0,0]=3 2778 B14R1.92 CCCOCCC(=O)Cc1ccco1 1458a_100011217309_100011215938 [0,1,0,0,0,1|0,0,0]=2 2779 B14R1.92 CCCOCCC(=O)Cc1cccs1 1458a_100000210189_100011215938 [0,1,0,0,0,1|0,1,0]=3 2780 B14R1.92 CCCOCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100011215938 [0,1,0,0,0,1|2,0,0]=4 2781 B14R1.92 CCCOCCC(=O)Cc1ccoc1 1458a_100000684892_100011215938 [0,1,0,0,0,1|2,0,0]=4 2782 B14R1.92 CCCOCCC(=O)Cc1ccsc1 1458a_100000184062_100011215938 [0,1,0,0,0,1|2,0,0]=4 2783 B14R1.92 CCCOCCC(=O)Cc1cscn1 1458a_100011438297_100011215938 [0,1,0,0,0,1|2,0,0]=4 2784 B14R1.92 CCCOCCC(=O)Cn1cccc1 1458a_100011196272_100011215938 [0,1,0,0,0,1|2,0,0]=4 2785 B14R1.92 CCCOCCC(=O)Cn1cccn1 1458a_100000233772_100011215938 [0,1,0,0,0,1|2,0,0]=4 2786 B14R1.92 CCCOCCN(C)Cc1ccco1 2230a_100000185268_100011215938 [0,1,0,0,0,1|2,0,0]=4 2787 B14R1.92 CCCOCCN(C)Cc1ccco1 269982a_100000185268_100011215938 [0,1,0,0,0,1|2,0,0]=4 2788 B14R1.92 CCCSCCC(=O)Nc1nccs1 62a_100000210303_200011194430 [0,1,0,0,0,1|1,1,0]=4 2789 B14R1.92 CCOCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100012232248 [0,1,0,0,0,1|2,0,0]=4 2790 B14R1.92 CCOCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100012232248 [0,1,0,0,0,1|1,0,0]=3 2791 B14R1.92 CCOCCCC(=O)Cc1ccco1 1458a_100011217309_100012232248 [0,1,0,0,0,1|0,0,0]=2 2792 B14R1.92 CCOCCCC(=O)Cc1cccs1 1458a_100000210189_100012232248 [0,1,0,0,0,1|0,1,0]=3 2793 B14R1.92 CCOCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100012232248 [0,1,0,0,0,1|2,0,0]=4 2794 B14R1.92 CCOCCCC(=O)Cc1ccoc1 1458a_100000684892_100012232248 [0,1,0,0,0,1|2,0,0]=4 2795 B14R1.92 CCOCCCC(=O)Cc1ccsc1 1458a_100000184062_100012232248 [0,1,0,0,0,1|2,0,0]=4 2796 B14R1.92 CCOCCCC(=O)Cc1cscn1 1458a_100011438297_100012232248 [0,1,0,0,0,1|2,0,0]=4 2797 B14R1.92 CCOCCCC(=O)Cn1cccc1 1458a_100011196272_100012232248 [0,1,0,0,0,1|2,0,0]=4 2798 B14R1.92 CCOCCCC(=O)Cn1cccn1 1458a_100000233772_100012232248 [0,1,0,0,0,1|2,0,0]=4 2799 B14R1.92 CCOCCCN(C)Cc1ccco1 2230a_100000185268_100012232248 [0,1,0,0,0,1|2,0,0]=4 2800 B14R1.92 CCOCCCN(C)Cc1ccco1 269982a_100000185268_100012232248 [0,1,0,0,0,1|2,0,0]=4 2801 B14R1.92 CCOCCNC(=O)Cc1ccc[nH]1 11a_100011200944_100000238377 [0,1,0,0,0,1|2,0,0]=4 2802 B14R1.92 CCOCCNC(=O)Cc1ccc[nH]1 240690a_100011200944_100000238377 [0,1,0,0,0,1|2,0,0]=4 2803 B14R1.92 CCOCCNC(=O)Cc1ccc[nH]1 527a_100011200944_100000238377 [0,1,0,0,0,1|2,0,0]=4 2804 B14R1.92 CCOCCNC(=O)Cc1ccco1 11a_100011200944_100011217309 [0,1,0,0,0,1|1,0,0]=3 2805 B14R1.92 CCOCCNC(=O)Cc1ccco1 527a_100011200944_100011217309 [0,1,0,0,0,1|1,0,0]=3 2806 B14R1.92 CCOCCNC(=O)Cc1cccs1 11a_100011200944_100000210189 [0,1,0,0,0,1|1,1,0]=4 2807 B14R1.92 CCOCCNC(=O)Cc1cccs1 1626a_102516460346_100000210189 [0,1,0,0,0,1|1,1,0]=4 2808 B14R1.92 CCOCCNC(=O)Cc1cccs1 240690a_100011200944_100000210189 [0,1,0,0,0,1|1,1,0]=4 2809 B14R1.92 CCSCCNC(=O)Cc1ccc[nH]1 11a_100000106463_100000238377 [0,1,0,0,0,1|2,0,0]=4 2810 B14R1.92 CCSCCNC(=O)Cc1ccc[nH]1 240690a_100000106463_100000238377 [0,1,0,0,0,1|2,0,0]=4 2811 B14R1.92 CCSCCNC(=O)Cc1ccc[nH]1 527a_100000106463_100000238377 [0,1,0,0,0,1|2,0,0]=4 2812 B14R1.92 CCSCCNC(=O)Cc1ccco1 11a_100000106463_100011217309 [0,1,0,0,0,1|1,0,0]=3 2813 B14R1.92 CCSCCNC(=O)Cc1ccco1 527a_100000106463_100011217309 [0,1,0,0,0,1|1,0,0]=3 2814 B14R1.92 CCSCCNC(=O)Cc1cccs1 11a_100000106463_100000210189 [0,1,0,0,0,1|1,1,0]=4 2815 B14R1.92 CCSCCNC(=O)Cc1cccs1 1626a_100000106463_100000210189 [0,1,0,0,0,1|1,1,0]=4 2816 B14R1.92 CCSCCNC(=O)Cc1cccs1 240690a_100000106463_100000210189 [0,1,0,0,0,1|1,1,0]=4 2817 B14R1.92 CN(CCCCCF)Cc1ccco1 2230a_100000185268_100000729378 [0,1,0,0,0,1|2,0,0]=4 2818 B14R1.92 CN(CCCCCF)Cc1ccco1 269982a_100000185268_100000729378 [0,1,0,0,0,1|2,0,0]=4 2819 B14R1.92 CN(CCCCCO)Cc1ccco1 2230a_100000185268_100000746330 [0,1,0,0,0,1|2,0,0]=4 2820 B14R1.92 CN(CCCCCO)Cc1ccco1 269982a_100000185268_100000746330 [0,1,0,0,0,1|2,0,0]=4 2821 B14R1.92 CN(CCCCCO)Cc1ccco1 270004a_100000722520_100000186105 [0,1,0,0,0,1|2,0,0]=4 2822 B14R1.92 COCCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000755781 [0,1,0,0,0,1|2,0,0]=4 2823 B14R1.92 COCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000755781 [0,1,0,0,0,1|1,0,0]=3 2824 B14R1.92 COCCCCC(=O)Cc1ccco1 1458a_100011217309_100000755781 [0,1,0,0,0,1|0,0,0]=2 2825 B14R1.92 COCCCCC(=O)Cc1cccs1 1458a_100000210189_100000755781 [0,1,0,0,0,1|0,1,0]=3 2826 B14R1.92 COCCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000755781 [0,1,0,0,0,1|2,0,0]=4 2827 B14R1.92 COCCCCC(=O)Cc1ccoc1 1458a_100000684892_100000755781 [0,1,0,0,0,1|2,0,0]=4 2828 B14R1.92 COCCCCC(=O)Cc1ccsc1 1458a_100000184062_100000755781 [0,1,0,0,0,1|2,0,0]=4 2829 B14R1.92 COCCCCC(=O)Cc1cscn1 1458a_100011438297_100000755781 [0,1,0,0,0,1|2,0,0]=4 2830 B14R1.92 COCCCCC(=O)Cn1cccc1 1458a_100011196272_100000755781 [0,1,0,0,0,1|2,0,0]=4 2831 B14R1.92 COCCCCC(=O)Cn1cccn1 1458a_100000233772_100000755781 [0,1,0,0,0,1|2,0,0]=4 2832 B14R1.92 COCCCCN(C)Cc1ccco1 2230a_100000185268_100000730899 [0,1,0,0,0,1|2,0,0]=4 2833 B14R1.92 COCCCCN(C)Cc1ccco1 269982a_100000185268_100000730899 [0,1,0,0,0,1|2,0,0]=4 2834 B14R1.92 COCCCNC(=O)Cc1ccc[nH]1 240690a_100150723488_100000238377 [0,1,0,0,0,1|2,0,0]=4 2835 B14R1.92 COCCCNC(=O)Cc1ccc[nH]1 527a_100150723488_100000238377 [0,1,0,0,0,1|2,0,0]=4 2836 B14R1.92 COCCCNC(=O)Cc1ccco1 527a_100150723488_100011217309 [0,1,0,0,0,1|1,0,0]=3 2837 B14R1.92 COCCCNC(=O)Cc1cccs1 1626a_100150723488_100000210189 [0,1,0,0,0,1|1,1,0]=4 2838 B14R1.92 COCCCNC(=O)Cc1cccs1 240690a_100150723488_100000210189 [0,1,0,0,0,1|1,1,0]=4 2839 B14R1.92 COCCNNC(=O)Cc1ccco1 22a_100000741390_100011217309 [0,1,0,0,0,1|2,0,0]=4 2840 B14R1.92 COCCOCC(=O)Cc1ncco1 1458a_100000211095_103436540062 [0,1,0,0,0,1|2,0,0]=4 2841 B14R1.92 CSCCCNC(=O)Cc1ccc[nH]1 11a_100000749238_100000238377 [0,1,0,0,0,1|2,0,0]=4 2842 B14R1.92 CSCCCNC(=O)Cc1ccc[nH]1 240690a_100000749238_100000238377 [0,1,0,0,0,1|2,0,0]=4 2843 B14R1.92 CSCCCNC(=O)Cc1ccc[nH]1 527a_100000749238_100000238377 [0,1,0,0,0,1|2,0,0]=4 2844 B14R1.92 CSCCCNC(=O)Cc1ccco1 11a_100000749238_100011217309 [0,1,0,0,0,1|1,0,0]=3 2845 B14R1.92 CSCCCNC(=O)Cc1ccco1 527a_100000749238_100011217309 [0,1,0,0,0,1|1,0,0]=3 2846 B14R1.92 CSCCCNC(=O)Cc1cccs1 11a_100000749238_100000210189 [0,1,0,0,0,1|1,1,0]=4 2847 B14R1.92 CSCCCNC(=O)Cc1cccs1 1626a_100000749238_100000210189 [0,1,0,0,0,1|1,1,0]=4 2848 B14R1.92 CSCCCNC(=O)Cc1cccs1 240690a_100000749238_100000210189 [0,1,0,0,0,1|1,1,0]=4 2849 B14R1.92 N#CCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000211819 [0,1,0,0,0,1|1,0,1]=4 2850 B14R1.92 N#CCCCCC(=O)Cc1ccco1 1458a_100011217309_100000211819 [0,1,0,0,0,1|0,0,1]=3 2851 B14R1.92 N#CCCCCC(=O)Cc1cccs1 1458a_100000210189_100000211819 [0,1,0,0,0,1|0,1,1]=4 2852 B14R1.92 N#CCOCCC(=O)Cc1ccco1 1458a_100011217309_200000047693 [0,1,0,0,0,1|1,0,1]=4 2853 B14R1.92 O=C(CCCCCF)Cc1c[nH]cn1 1458a_100015291406_100000729378 [0,1,0,0,0,1|2,0,0]=4 2854 B14R1.92 O=C(CCCCCF)Cc1ccc[nH]1 1458a_100000238377_100000729378 [0,1,0,0,0,1|1,0,0]=3 2855 B14R1.92 O=C(CCCCCF)Cc1ccco1 1458a_100011217309_100000729378 [0,1,0,0,0,1|0,0,0]=2 2856 B14R1.92 O=C(CCCCCF)Cc1cccs1 1458a_100000210189_100000729378 [0,1,0,0,0,1|0,1,0]=3 2857 B14R1.92 O=C(CCCCCF)Cc1ccn[nH]1 1458a_100000752941_100000729378 [0,1,0,0,0,1|2,0,0]=4 2858 B14R1.92 O=C(CCCCCF)Cc1ccoc1 1458a_100000684892_100000729378 [0,1,0,0,0,1|2,0,0]=4 2859 B14R1.92 O=C(CCCCCF)Cc1ccsc1 1458a_100000184062_100000729378 [0,1,0,0,0,1|2,0,0]=4 2860 B14R1.92 O=C(CCCCCF)Cc1cscn1 1458a_100011438297_100000729378 [0,1,0,0,0,1|2,0,0]=4 2861 B14R1.92 O=C(CCCCCF)Cn1cccc1 1458a_100011196272_100000729378 [0,1,0,0,0,1|2,0,0]=4 2862 B14R1.92 O=C(CCCCCF)Cn1cccn1 1458a_100000233772_100000729378 [0,1,0,0,0,1|2,0,0]=4 2863 B14R1.92 O=C(CCCCCO)Cc1c[nH]cn1 1458a_100015291406_100000746330 [0,1,0,0,0,1|2,0,0]=4 2864 B14R1.92 O=C(CCCCCO)Cc1c[nH]cn1 1458a_100102619762_100000707719 [0,1,0,0,0,1|2,0,0]=4 2865 B14R1.92 O=C(CCCCCO)Cc1ccc[nH]1 1458a_100000238377_100000746330 [0,1,0,0,0,1|1,0,0]=3 2866 B14R1.92 O=C(CCCCCO)Cc1ccco1 1458a_100011217309_100000746330 [0,1,0,0,0,1|0,0,0]=2 2867 B14R1.92 O=C(CCCCCO)Cc1cccs1 1458a_100000210189_100000746330 [0,1,0,0,0,1|0,1,0]=3 2868 B14R1.92 O=C(CCCCCO)Cc1ccn[nH]1 1458a_100000752941_100000746330 [0,1,0,0,0,1|2,0,0]=4 2869 B14R1.92 O=C(CCCCCO)Cc1ccn[nH]1 1458a_100102619762_100000728653 [0,1,0,0,0,1|2,0,0]=4 2870 B14R1.92 O=C(CCCCCO)Cc1ccoc1 1458a_100000684892_100000746330 [0,1,0,0,0,1|2,0,0]=4 2871 B14R1.92 O=C(CCCCCO)Cc1ccon1 1458a_100102619762_100000234950 [0,1,0,0,0,1|2,0,0]=4 2872 B14R1.92 O=C(CCCCCO)Cc1ccsc1 1458a_100000184062_100000746330 [0,1,0,0,0,1|2,0,0]=4 2873 B14R1.92 O=C(CCCCCO)Cc1ccsc1 1458a_100102619762_100011233845 [0,1,0,0,0,1|2,0,0]=4 2874 B14R1.92 O=C(CCCCCO)Cc1cncs1 1458a_100102619762_100015185245 [0,1,0,0,0,1|1,1,0]=4 2875 B14R1.92 O=C(CCCCCO)Cc1cscn1 1458a_100011438297_100000746330 [0,1,0,0,0,1|2,0,0]=4 2876 B14R1.92 O=C(CCCCCO)Cc1cscn1 1458a_100102619762_100000205941 [0,1,0,0,0,1|2,0,0]=4 2877 B14R1.92 O=C(CCCCCO)Cc1ncco1 1458a_100102619762_103436540062 [0,1,0,0,0,1|1,0,0]=3 2878 B14R1.92 O=C(CCCCCO)Cc1nccs1 1458a_100102619762_100015184050 [0,1,0,0,0,1|1,1,0]=4 2879 B14R1.92 O=C(CCCCCO)Cn1cccc1 1458a_100011196272_100000746330 [0,1,0,0,0,1|2,0,0]=4 2880 B14R1.92 O=C(CCCCCO)Cn1cccn1 1458a_100000233772_100000746330 [0,1,0,0,0,1|2,0,0]=4 2881 B14R1.92 O=C(CCOCCO)Cc1ccc[nH]1 1458a_100000238377_100011215305 [0,1,0,0,0,1|2,0,0]=4 2882 B14R1.92 O=C(CCOCCO)Cc1ccco1 1458a_100011217309_100011215305 [0,1,0,0,0,1|1,0,0]=3 2883 B14R1.92 O=C(CCOCCO)Cc1cccs1 1458a_100000210189_100011215305 [0,1,0,0,0,1|1,1,0]=4 2884 B14R1.92 O=C(CCOCCO)Cc1ncco1 1458a_100011229844_103436540062 [0,1,0,0,0,1|2,0,0]=4 2885 B14R1.92 O=C(Cc1ccc[nH]1)NCCCCO 240690a_100000750430_100000238377 [0,1,0,0,0,1|2,0,0]=4 2886 B14R1.92 O=C(Cc1ccc[nH]1)NCCCCO 527a_100000750430_100000238377 [0,1,0,0,0,1|2,0,0]=4 2887 B14R1.92 O=C(Cc1ccco1)NCCCCO 527a_100000750430_100011217309 [0,1,0,0,0,1|1,0,0]=3 2888 B14R1.92 O=C(Cc1cccs1)NCCCCO 240690a_100000750430_100000210189 [0,1,0,0,0,1|1,1,0]=4 2889 B14R1.107 CCCCCC(=O)C(C)n1cccc1 1458a_100000243804_100000210326 [0,1,0,0,0,1|2,0,0]=4 2890 B14R1.107 CCCCCN(C)C(C)c1ccco1 2230a_100000232712_100000210326 [0,1,0,0,0,1|2,0,0]=4 2891 B14R1.107 CCCCCN(C)C(C)c1ccco1 269982a_100000232712_100000210215 [0,1,0,0,0,1|2,0,0]=4 2892 B14R1.157 CCCCCC(=O)Cc1cc(cs1)Br 1458a_100000212188_100000746031 [0,1,0,0,0,1|0,1,0]=3 2893 B14R1.157 CCCCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210326 [0,1,0,0,0,1|0,1,0]=3 2894 B14R1.157 CCCCCC(=O)Cc1cc(no1)Br 1458a_100000212188_100000709089 [0,1,0,0,0,1|1,0,0]=3 2895 B14R1.157 CCCCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210326 [0,1,0,0,0,1|1,0,0]=3 2896 B14R1.157 CCCCCC(=O)Cc1cc(no1)C 1458a_100000212188_100000707947 [0,1,0,0,0,1|1,0,0]=3 2897 B14R1.157 CCCCCC(=O)Cc1cc(on1)C 1458a_100000212188_100000199038 [0,1,0,0,0,1|2,0,0]=4 2898 B14R1.157 CCCCCC(=O)Cc1ccc(s1)Br 1458a_100000212188_100000708592 [0,1,0,0,0,1|0,1,0]=3 2899 B14R1.157 CCCCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210326 [0,1,0,0,0,1|0,1,0]=3 2900 B14R1.157 CCCCCC(=O)Cc1ccc(s1)Cl 1458a_100000212188_100000185097 [0,1,0,0,0,1|0,1,0]=3 2901 B14R1.157 CCCCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210326 [0,1,0,0,0,1|0,1,0]=3 2902 B14R1.157 CCCCCC(=O)Cc1ccn(n1)C 1458a_100000212188_100000726502 [0,1,0,0,0,1|2,0,0]=4 2903 B14R1.157 CCCCCC(=O)Cc1cn(cn1)C 1458a_100000212188_100000717665 [0,1,0,0,0,1|2,0,0]=4 2904 B14R1.157 CCCCCC(=O)Cc1cn(cn1)C 1458a_100011512828_100000210326 [0,1,0,0,0,1|2,0,0]=4 2905 B14R1.157 CCCCCC(=O)Cc1cnc(s1)Br 1458a_100000212188_100000717027 [0,1,0,0,0,1|1,1,0]=4 2906 B14R1.157 CCCCCC(=O)Cc1cnc(s1)C 1458a_100000212188_100020635045 [0,1,0,0,0,1|1,1,0]=4 2907 B14R1.157 CCCCCC(=O)Cc1cnc(s1)Cl 1458a_100000212188_100000058068 [0,1,0,0,0,1|1,1,0]=4 2908 B14R1.157 CCCCCC(=O)Cc1csc(n1)C 1458a_100000184407_100000210326 [0,1,0,0,0,1|2,0,0]=4 2909 B14R1.157 CCCCCC(=O)Cc1csc(n1)C 1458a_100000212188_100015186478 [0,1,0,0,0,1|2,0,0]=4 2910 B14R1.157 CCCCCC(=O)Cc1csc(n1)Cl 1458a_100000212188_100000024076 [0,1,0,0,0,1|2,0,0]=4 2911 B14R1.157 CCCCCC(=O)Cc1nc(no1)C 1458a_100000212188_100000735555 [0,1,0,0,0,1|2,0,0]=4 2912 B14R1.157 CCCCCC(=O)Cc1nc(no1)C 1458a_100011441805_100000210326 [0,1,0,0,0,1|2,0,0]=4 2913 B14R1.157 CCCCCC(=O)Cc1nnc(o1)C 1458a_100000212188_100000181450 [0,1,0,0,0,1|2,0,0]=4 2914 B14R1.157 CCCCCC(=O)Cn1cc(cn1)Br 1458a_100000238729_100000210326 [0,1,0,0,0,1|2,0,0]=4 2915 B14R1.157 CCCCCC(=O)Cn1cc(cn1)C 1458a_100000743463_100000210326 [0,1,0,0,0,1|2,0,0]=4 2916 B14R1.157 CCCCCC(=O)Cn1cc(cn1)Cl 1458a_100000759256_100000210326 [0,1,0,0,0,1|2,0,0]=4 2917 B14R1.157 CCCCCC(=O)Cn1cc(cn1)I 1458a_100012072407_100000210326 [0,1,0,0,0,1|2,0,0]=4 2918 B14R1.157 CCCCCC(=O)Cn1ccc(n1)C 1458a_100000238720_100000210326 [0,1,0,0,0,1|2,0,0]=4 2919 B14R1.157 CCCCCN(C)Cc1cc(co1)Br 270004a_100000223495_100000747035 [0,1,0,0,0,1|2,0,0]=4 2920 B14R1.157 CCCCCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210326 [0,1,0,0,0,1|2,0,0]=4 2921 B14R1.157 CCCCCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000210215 [0,1,0,0,0,1|2,0,0]=4 2922 B14R1.157 CCCCCN(C)Cc1ccc(o1)Br 270004a_100000223495_100000185145 [0,1,0,0,0,1|2,0,0]=4 2923 B14R1.157 CCCCCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210326 [0,1,0,0,0,1|2,0,0]=4 2924 B14R1.157 CCCCCN(C)Cc1ccc(o1)C 269982a_100000184526_100000210215 [0,1,0,0,0,1|2,0,0]=4 2925 B14R1.157 CCCCCN(C)Cc1ccc(o1)C 270004a_100000223495_100000183696 [0,1,0,0,0,1|2,0,0]=4 2926 B14R1.157 CCCCCN(C)Cc1ccc(o1)C 34a_100000184526_100000718602 [0,1,0,0,0,1|2,0,0]=4 2927 B14R1.157 CCCCCN(C)Cc1ccc(o1)Cl 270004a_100000223495_100000188459 [0,1,0,0,0,1|2,0,0]=4 2928 B14R1.157 CCCCNC(=O)Cc1cc(cs1)Br 11a_100000102301_100011542370 [0,1,0,0,0,1|1,1,0]=4 2929 B14R1.157 CCCCNC(=O)Cc1cc(cs1)Br 1626a_100000102301_100011542370 [0,1,0,0,0,1|1,1,0]=4 2930 B14R1.157 CCCCNC(=O)Cc1cc(cs1)Br 240690a_100000102301_100011542370 [0,1,0,0,0,1|1,1,0]=4 2931 B14R1.157 CCCCNC(=O)Cc1cc(no1)C 11a_100000102301_100000037866 [0,1,0,0,0,1|2,0,0]=4 2932 B14R1.157 CCCCNC(=O)Cc1cc(no1)C 1626a_100000102301_100000037866 [0,1,0,0,0,1|2,0,0]=4 2933 B14R1.157 CCCCNC(=O)Cc1cc(no1)C 240690a_100000102301_100000037866 [0,1,0,0,0,1|2,0,0]=4 2934 B14R1.157 CCCCNC(=O)Cc1ccc(s1)Br 11a_100000102301_100000238643 [0,1,0,0,0,1|1,1,0]=4 2935 B14R1.157 CCCCNC(=O)Cc1ccc(s1)Br 1626a_100000102301_100000238643 [0,1,0,0,0,1|1,1,0]=4 2936 B14R1.157 CCCCNC(=O)Cc1ccc(s1)Cl 11a_100000102301_100000238644 [0,1,0,0,0,1|1,1,0]=4 2937 B14R1.157 CCCCNC(=O)Cc1ccc(s1)Cl 1626a_100000102301_100000238644 [0,1,0,0,0,1|1,1,0]=4 2938 B14R1.157 CCCCNC(=O)Cc1ccc(s1)Cl 240690a_100000102301_100000238644 [0,1,0,0,0,1|1,1,0]=4 2939 B14R1.157 CCCOCC(=O)Cc1cc(cs1)Br 1458a_100000745993_100000746031 [0,1,0,0,0,1|1,1,0]=4 2940 B14R1.157 CCCOCC(=O)Cc1cc(no1)Br 1458a_100000745993_100000709089 [0,1,0,0,0,1|2,0,0]=4 2941 B14R1.157 CCCOCC(=O)Cc1cc(no1)C 1458a_100000745993_100000707947 [0,1,0,0,0,1|2,0,0]=4 2942 B14R1.157 CCCOCC(=O)Cc1ccc(s1)Br 1458a_100000745993_100000708592 [0,1,0,0,0,1|1,1,0]=4 2943 B14R1.157 CCCOCC(=O)Cc1ccc(s1)Cl 1458a_100000745993_100000185097 [0,1,0,0,0,1|1,1,0]=4 2944 B14R1.157 CCCSCC(=O)Cc1cc(cs1)Br 1458a_100000217233_100000746031 [0,1,0,0,0,1|1,1,0]=4 2945 B14R1.157 CCCSCC(=O)Cc1cc(no1)Br 1458a_100000217233_100000709089 [0,1,0,0,0,1|2,0,0]=4 2946 B14R1.157 CCCSCC(=O)Cc1cc(no1)C 1458a_100000217233_100000707947 [0,1,0,0,0,1|2,0,0]=4 2947 B14R1.157 CCCSCC(=O)Cc1ccc(s1)Br 1458a_100000217233_100000708592 [0,1,0,0,0,1|1,1,0]=4 2948 B14R1.157 CCCSCC(=O)Cc1ccc(s1)Cl 1458a_100000217233_100000185097 [0,1,0,0,0,1|1,1,0]=4 2949 B14R1.157 CCOCCC(=O)Cc1cc(cs1)Br 1458a_100000749530_100000746031 [0,1,0,0,0,1|1,1,0]=4 2950 B14R1.157 CCOCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100011215890 [0,1,0,0,0,1|1,1,0]=4 2951 B14R1.157 CCOCCC(=O)Cc1cc(no1)Br 1458a_100000749530_100000709089 [0,1,0,0,0,1|2,0,0]=4 2952 B14R1.157 CCOCCC(=O)Cc1cc(no1)C 1458a_100000037866_100011215890 [0,1,0,0,0,1|2,0,0]=4 2953 B14R1.157 CCOCCC(=O)Cc1cc(no1)C 1458a_100000749530_100000707947 [0,1,0,0,0,1|2,0,0]=4 2954 B14R1.157 CCOCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100011215890 [0,1,0,0,0,1|1,1,0]=4 2955 B14R1.157 CCOCCC(=O)Cc1ccc(s1)Br 1458a_100000749530_100000708592 [0,1,0,0,0,1|1,1,0]=4 2956 B14R1.157 CCOCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100011215890 [0,1,0,0,0,1|1,1,0]=4 2957 B14R1.157 CCOCCC(=O)Cc1ccc(s1)Cl 1458a_100000749530_100000185097 [0,1,0,0,0,1|1,1,0]=4 2958 B14R1.157 CCSCCC(=O)Cc1cc(cs1)Br 1458a_100000230768_100000746031 [0,1,0,0,0,1|1,1,0]=4 2959 B14R1.157 CCSCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000757381 [0,1,0,0,0,1|1,1,0]=4 2960 B14R1.157 CCSCCC(=O)Cc1cc(no1)Br 1458a_100000230768_100000709089 [0,1,0,0,0,1|2,0,0]=4 2961 B14R1.157 CCSCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000757381 [0,1,0,0,0,1|2,0,0]=4 2962 B14R1.157 CCSCCC(=O)Cc1cc(no1)C 1458a_100000230768_100000707947 [0,1,0,0,0,1|2,0,0]=4 2963 B14R1.157 CCSCCC(=O)Cc1ccc(s1)Br 1458a_100000230768_100000708592 [0,1,0,0,0,1|1,1,0]=4 2964 B14R1.157 CCSCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000757381 [0,1,0,0,0,1|1,1,0]=4 2965 B14R1.157 CCSCCC(=O)Cc1ccc(s1)Cl 1458a_100000230768_100000185097 [0,1,0,0,0,1|1,1,0]=4 2966 B14R1.157 CCSCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000757381 [0,1,0,0,0,1|1,1,0]=4 2967 B14R1.157 COCCCC(=O)Cc1cc(cs1)Br 1458a_100000741012_100000746031 [0,1,0,0,0,1|1,1,0]=4 2968 B14R1.157 COCCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000740836 [0,1,0,0,0,1|1,1,0]=4 2969 B14R1.157 COCCCC(=O)Cc1cc(no1)Br 1458a_100000741012_100000709089 [0,1,0,0,0,1|2,0,0]=4 2970 B14R1.157 COCCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000740836 [0,1,0,0,0,1|2,0,0]=4 2971 B14R1.157 COCCCC(=O)Cc1cc(no1)C 1458a_100000741012_100000707947 [0,1,0,0,0,1|2,0,0]=4 2972 B14R1.157 COCCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000740836 [0,1,0,0,0,1|1,1,0]=4 2973 B14R1.157 COCCCC(=O)Cc1ccc(s1)Br 1458a_100000741012_100000708592 [0,1,0,0,0,1|1,1,0]=4 2974 B14R1.157 COCCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000740836 [0,1,0,0,0,1|1,1,0]=4 2975 B14R1.157 COCCCC(=O)Cc1ccc(s1)Cl 1458a_100000741012_100000185097 [0,1,0,0,0,1|1,1,0]=4 2976 B14R1.157 CSCCCC(=O)Cc1cc(cs1)Br 1458a_100000173376_100000746031 [0,1,0,0,0,1|1,1,0]=4 2977 B14R1.157 CSCCCC(=O)Cc1cc(no1)Br 1458a_100000173376_100000709089 [0,1,0,0,0,1|2,0,0]=4 2978 B14R1.157 CSCCCC(=O)Cc1cc(no1)C 1458a_100000173376_100000707947 [0,1,0,0,0,1|2,0,0]=4 2979 B14R1.157 CSCCCC(=O)Cc1ccc(s1)Br 1458a_100000173376_100000708592 [0,1,0,0,0,1|1,1,0]=4 2980 B14R1.157 CSCCCC(=O)Cc1ccc(s1)Cl 1458a_100000173376_100000185097 [0,1,0,0,0,1|1,1,0]=4 2981 B14R1.157 Cc1cc(on1)CC(=O)CCCCF 1458a_100000037866_100000729493 [0,1,0,0,0,1|2,0,0]=4 2982 B14R1.157 Cc1cc(on1)CC(=O)CCCCO 1458a_100000037866_100000210776 [0,1,0,0,0,1|2,0,0]=4 2983 B14R1.157 Cc1cc(on1)CC(=O)CCCCO 1458a_100000695505_100000707947 [0,1,0,0,0,1|2,0,0]=4 2984 B14R1.157 O=C(CCCCF)Cc1cc(cs1)Br 1458a_100011542370_100000729493 [0,1,0,0,0,1|1,1,0]=4 2985 B14R1.157 O=C(CCCCF)Cc1ccc(s1)Br 1458a_100000238643_100000729493 [0,1,0,0,0,1|1,1,0]=4 2986 B14R1.157 O=C(CCCCF)Cc1ccc(s1)Cl 1458a_100000238644_100000729493 [0,1,0,0,0,1|1,1,0]=4 2987 B14R1.157 O=C(CCCCO)Cc1cc(cs1)Br 1458a_100000695505_100000746031 [0,1,0,0,0,1|1,1,0]=4 2988 B14R1.157 O=C(CCCCO)Cc1cc(cs1)Br 1458a_100011542370_100000210776 [0,1,0,0,0,1|1,1,0]=4 2989 B14R1.157 O=C(CCCCO)Cc1cc(no1)Br 1458a_100000695505_100000709089 [0,1,0,0,0,1|2,0,0]=4 2990 B14R1.157 O=C(CCCCO)Cc1ccc(s1)Br 1458a_100000238643_100000210776 [0,1,0,0,0,1|1,1,0]=4 2991 B14R1.157 O=C(CCCCO)Cc1ccc(s1)Br 1458a_100000695505_100000708592 [0,1,0,0,0,1|1,1,0]=4 2992 B14R1.157 O=C(CCCCO)Cc1ccc(s1)Cl 1458a_100000238644_100000210776 [0,1,0,0,0,1|1,1,0]=4 2993 B14R1.157 O=C(CCCCO)Cc1ccc(s1)Cl 1458a_100000695505_100000185097 [0,1,0,0,0,1|1,1,0]=4 2994 B14R1.454 CCCCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210211 [0,1,0,0,0,1|1,0,1]=4 2995 B14R1.454 CCCCC(C)C(=O)Cc1c[nH]cn1 1458a_100000725509_100000707719 [0,1,0,0,0,1|2,0,0]=4 2996 B14R1.454 CCCCC(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_200011215066 [0,1,0,0,0,1|2,0,0]=4 2997 B14R1.454 CCCCC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_200011215066 [0,1,0,0,0,1|1,0,0]=3 2998 B14R1.454 CCCCC(C)C(=O)Cc1ccco1 1458a_100011217309_200011215066 [0,1,0,0,0,1|0,0,0]=2 2999 B14R1.454 CCCCC(C)C(=O)Cc1cccs1 1458a_100000210189_200011215066 [0,1,0,0,0,1|0,1,0]=3 3000 B14R1.454 CCCCC(C)C(=O)Cc1ccn[nH]1 1458a_100000725509_100000728653 [0,1,0,0,0,1|2,0,0]=4 3001 B14R1.454 CCCCC(C)C(=O)Cc1ccn[nH]1 1458a_100000752941_200011215066 [0,1,0,0,0,1|2,0,0]=4 3002 B14R1.454 CCCCC(C)C(=O)Cc1ccoc1 1458a_100000684892_200011215066 [0,1,0,0,0,1|2,0,0]=4 3003 B14R1.454 CCCCC(C)C(=O)Cc1ccon1 1458a_100000725509_100000234950 [0,1,0,0,0,1|2,0,0]=4 3004 B14R1.454 CCCCC(C)C(=O)Cc1ccsc1 1458a_100000184062_200011215066 [0,1,0,0,0,1|2,0,0]=4 3005 B14R1.454 CCCCC(C)C(=O)Cc1ccsc1 1458a_100000725509_100011233845 [0,1,0,0,0,1|2,0,0]=4 3006 B14R1.454 CCCCC(C)C(=O)Cc1cncs1 1458a_100000725509_100015185245 [0,1,0,0,0,1|1,1,0]=4 3007 B14R1.454 CCCCC(C)C(=O)Cc1cscn1 1458a_100000725509_100000205941 [0,1,0,0,0,1|2,0,0]=4 3008 B14R1.454 CCCCC(C)C(=O)Cc1cscn1 1458a_100011438297_200011215066 [0,1,0,0,0,1|2,0,0]=4 3009 B14R1.454 CCCCC(C)C(=O)Cc1ncco1 1458a_100000725509_103436540062 [0,1,0,0,0,1|1,0,0]=3 3010 B14R1.454 CCCCC(C)C(=O)Cc1nccs1 1458a_100000725509_100015184050 [0,1,0,0,0,1|1,1,0]=4 3011 B14R1.454 CCCCC(C)C(=O)Cn1cccc1 1458a_100011196272_200011215066 [0,1,0,0,0,1|2,0,0]=4 3012 B14R1.454 CCCCC(C)C(=O)Cn1cccn1 1458a_100000233772_200011215066 [0,1,0,0,0,1|2,0,0]=4 3013 B14R1.454 CCCCC(C)N(C)Cc1ccco1 2230a_100000185268_200011215066 [0,1,0,0,0,1|2,0,0]=4 3014 B14R1.454 CCCCC(C)N(C)Cc1ccco1 269982a_100000185268_200011215066 [0,1,0,0,0,1|2,0,0]=4 3015 B14R1.454 CCCCC(C)N(C)Cc1ccco1 270004a_100000185268_100000210087 [0,1,0,0,0,1|2,0,0]=4 3016 B14R1.454 CCCCC(O)C(=O)Cc1c[nH]cn1 1458a_100000720857_100000707719 [0,1,0,0,0,1|2,0,0]=4 3017 B14R1.454 CCCCC(O)C(=O)Cc1ccn[nH]1 1458a_100000720857_100000728653 [0,1,0,0,0,1|2,0,0]=4 3018 B14R1.454 CCCCC(O)C(=O)Cc1ccon1 1458a_100000720857_100000234950 [0,1,0,0,0,1|2,0,0]=4 3019 B14R1.454 CCCCC(O)C(=O)Cc1ccsc1 1458a_100000720857_100011233845 [0,1,0,0,0,1|2,0,0]=4 3020 B14R1.454 CCCCC(O)C(=O)Cc1cncs1 1458a_100000720857_100015185245 [0,1,0,0,0,1|1,1,0]=4 3021 B14R1.454 CCCCC(O)C(=O)Cc1cscn1 1458a_100000720857_100000205941 [0,1,0,0,0,1|2,0,0]=4 3022 B14R1.454 CCCCC(O)C(=O)Cc1ncco1 1458a_100000720857_103436540062 [0,1,0,0,0,1|1,0,0]=3 3023 B14R1.454 CCCCC(O)C(=O)Cc1nccs1 1458a_100000720857_100015184050 [0,1,0,0,0,1|1,1,0]=4 3024 B14R1.454 CCCCN(C)C(=O)Cc1ccc[nH]1 11a_100000207549_100000238377 [0,1,0,0,0,1|2,0,0]=4 3025 B14R1.454 CCCCN(C)C(=O)Cc1ccc[nH]1 240690a_100000207549_100000238377 [0,1,0,0,0,1|2,0,0]=4 3026 B14R1.454 CCCCN(C)C(=O)Cc1ccc[nH]1 527a_100000207549_100000238377 [0,1,0,0,0,1|2,0,0]=4 3027 B14R1.454 CCCCN(C)C(=O)Cc1ccco1 11a_100000207549_100011217309 [0,1,0,0,0,1|1,0,0]=3 3028 B14R1.454 CCCCN(C)C(=O)Cc1ccco1 527a_100000207549_100011217309 [0,1,0,0,0,1|1,0,0]=3 3029 B14R1.454 CCCCN(C)C(=O)Cc1cccs1 11a_100000207549_100000210189 [0,1,0,0,0,1|1,1,0]=4 3030 B14R1.454 CCCCN(C)C(=O)Cc1cccs1 1626a_100000207549_100000210189 [0,1,0,0,0,1|1,1,0]=4 3031 B14R1.454 CCCCN(C)C(=O)Cc1cccs1 240690a_100000207549_100000210189 [0,1,0,0,0,1|1,1,0]=4 3032 B14R1.454 CN(CCCO)C(=O)Cc1ccco1 527a_100000213112_100011217309 [0,1,0,0,0,1|2,0,0]=4 3033 B14R1.454 COCCN(C)C(=O)Cc1ccco1 11a_100000743101_100011217309 [0,1,0,0,0,1|2,0,0]=4 3034 B14R1.454 COCCN(C)C(=O)Cc1ccco1 527a_100000743101_100011217309 [0,1,0,0,0,1|2,0,0]=4 3035 B14R1.454 CSCCC(O)C(=O)Cc1ncco1 1458a_100000685904_103436540062 [0,1,0,0,0,1|2,0,0]=4 3036 B14R1.454 CSCCN(C)C(=O)Cc1ccco1 11a_100000686725_100011217309 [0,1,0,0,0,1|2,0,0]=4 3037 B14R1.454 CSCCN(C)C(=O)Cc1ccco1 527a_100000686725_100011217309 [0,1,0,0,0,1|2,0,0]=4 3038 B14R1.621 C=C(CCC)CC(=O)Cc1ncco1 1458a_100000138376_103436540062 [0,1,0,0,0,1|1,0,1]=4 3039 B14R1.621 CCCC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000747444 [0,1,0,0,0,1|1,0,1]=4 3040 B14R1.621 CCCC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747444 [0,1,0,0,0,1|0,0,1]=3 3041 B14R1.621 CCCC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747444 [0,1,0,0,0,1|0,1,1]=4 3042 B14R1.621 CCCC(C)CC(=O)Cc1c[nH]cn1 1458a_100000748435_100000707719 [0,1,0,0,0,1|2,0,0]=4 3043 B14R1.621 CCCC(C)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100011216630 [0,1,0,0,0,1|2,0,0]=4 3044 B14R1.621 CCCC(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100011216630 [0,1,0,0,0,1|1,0,0]=3 3045 B14R1.621 CCCC(C)CC(=O)Cc1ccco1 1458a_100011217309_100011216630 [0,1,0,0,0,1|0,0,0]=2 3046 B14R1.621 CCCC(C)CC(=O)Cc1cccs1 1458a_100000210189_100011216630 [0,1,0,0,0,1|0,1,0]=3 3047 B14R1.621 CCCC(C)CC(=O)Cc1ccn[nH]1 1458a_100000748435_100000728653 [0,1,0,0,0,1|2,0,0]=4 3048 B14R1.621 CCCC(C)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100011216630 [0,1,0,0,0,1|2,0,0]=4 3049 B14R1.621 CCCC(C)CC(=O)Cc1ccoc1 1458a_100000684892_100011216630 [0,1,0,0,0,1|2,0,0]=4 3050 B14R1.621 CCCC(C)CC(=O)Cc1ccon1 1458a_100000748435_100000234950 [0,1,0,0,0,1|2,0,0]=4 3051 B14R1.621 CCCC(C)CC(=O)Cc1ccsc1 1458a_100000184062_100011216630 [0,1,0,0,0,1|2,0,0]=4 3052 B14R1.621 CCCC(C)CC(=O)Cc1ccsc1 1458a_100000748435_100011233845 [0,1,0,0,0,1|2,0,0]=4 3053 B14R1.621 CCCC(C)CC(=O)Cc1cncs1 1458a_100000748435_100015185245 [0,1,0,0,0,1|1,1,0]=4 3054 B14R1.621 CCCC(C)CC(=O)Cc1cscn1 1458a_100000748435_100000205941 [0,1,0,0,0,1|2,0,0]=4 3055 B14R1.621 CCCC(C)CC(=O)Cc1cscn1 1458a_100011438297_100011216630 [0,1,0,0,0,1|2,0,0]=4 3056 B14R1.621 CCCC(C)CC(=O)Cc1ncco1 1458a_100000748435_103436540062 [0,1,0,0,0,1|1,0,0]=3 3057 B14R1.621 CCCC(C)CC(=O)Cc1nccs1 1458a_100000748435_100015184050 [0,1,0,0,0,1|1,1,0]=4 3058 B14R1.621 CCCC(C)CC(=O)Cn1cccc1 1458a_100011196272_100011216630 [0,1,0,0,0,1|2,0,0]=4 3059 B14R1.621 CCCC(C)CC(=O)Cn1cccn1 1458a_100000233772_100011216630 [0,1,0,0,0,1|2,0,0]=4 3060 B14R1.621 CCCC(C)CN(C)Cc1ccco1 2230a_100000185268_100011216630 [0,1,0,0,0,1|2,0,0]=4 3061 B14R1.621 CCCC(C)CN(C)Cc1ccco1 269982a_100000185268_100011216630 [0,1,0,0,0,1|2,0,0]=4 3062 B14R1.621 CCCC(C)CN(C)Cc1ccco1 270004a_100000185268_100000243154 [0,1,0,0,0,1|2,0,0]=4 3063 B14R1.621 CCCC(C)NC(=O)Cc1ccc[nH]1 11a_100000741246_100000238377 [0,1,0,0,0,1|2,0,0]=4 3064 B14R1.621 CCCC(C)NC(=O)Cc1ccc[nH]1 240690a_100000741246_100000238377 [0,1,0,0,0,1|2,0,0]=4 3065 B14R1.621 CCCC(C)NC(=O)Cc1ccc[nH]1 527a_100000741246_100000238377 [0,1,0,0,0,1|2,0,0]=4 3066 B14R1.621 CCCC(C)NC(=O)Cc1ccco1 11a_100000741246_100011217309 [0,1,0,0,0,1|1,0,0]=3 3067 B14R1.621 CCCC(C)NC(=O)Cc1ccco1 527a_100000741246_100011217309 [0,1,0,0,0,1|1,0,0]=3 3068 B14R1.621 CCCC(C)NC(=O)Cc1cccs1 11a_100000741246_100000210189 [0,1,0,0,0,1|1,1,0]=4 3069 B14R1.621 CCCC(C)NC(=O)Cc1cccs1 1626a_100000741246_100000210189 [0,1,0,0,0,1|1,1,0]=4 3070 B14R1.621 CCCC(C)NC(=O)Cc1cccs1 240690a_100000741246_100000210189 [0,1,0,0,0,1|1,1,0]=4 3071 B14R1.621 CCCS(=O)CC(=O)Cc1ncco1 1458a_100011387404_103436540062 [0,1,0,0,0,1|2,0,0]=4 3072 B14R1.621 CCNC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000183381 [0,1,0,0,0,1|1,0,1]=4 3073 B14R1.621 CCOC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000188475 [0,1,0,0,0,1|1,0,1]=4 3074 B14R1.621 CCSC(C)CC(=O)Cc1ncco1 1458a_200011311441_103436540062 [0,1,0,0,0,1|2,0,0]=4 3075 B14R1.621 COC[C@@H](C)NC(=O)Cc1ccco1 11a_100000764878_100011217309 [0,1,0,0,0,1|2,0,0]=4 3076 B14R1.621 COC[C@@H](C)NC(=O)Cc1ccco1 527a_100000764878_100011217309 [0,1,0,0,0,1|2,0,0]=4 3077 B14R1.621 C[C@H](CCO)NC(=O)Cc1ccco1 527a_100000706166_100011217309 [0,1,0,0,0,1|2,0,0]=4 3078 B14R1.731 CC(CO)CNC(=O)Cc1ccco1 527a_100000744482_100011217309 [0,1,0,0,0,1|2,0,0]=4 3079 B14R1.731 CCC(C)CCC(=O)Cc1c[nH]cn1 1458a_100000701222_100000707719 [0,1,0,0,0,1|2,0,0]=4 3080 B14R1.731 CCC(C)CCC(=O)Cc1ccn[nH]1 1458a_100000701222_100000728653 [0,1,0,0,0,1|2,0,0]=4 3081 B14R1.731 CCC(C)CCC(=O)Cc1ccon1 1458a_100000701222_100000234950 [0,1,0,0,0,1|2,0,0]=4 3082 B14R1.731 CCC(C)CCC(=O)Cc1ccsc1 1458a_100000701222_100011233845 [0,1,0,0,0,1|2,0,0]=4 3083 B14R1.731 CCC(C)CCC(=O)Cc1cncs1 1458a_100000701222_100015185245 [0,1,0,0,0,1|1,1,0]=4 3084 B14R1.731 CCC(C)CCC(=O)Cc1cscn1 1458a_100000701222_100000205941 [0,1,0,0,0,1|2,0,0]=4 3085 B14R1.731 CCC(C)CCC(=O)Cc1ncco1 1458a_100000701222_103436540062 [0,1,0,0,0,1|1,0,0]=3 3086 B14R1.731 CCC(C)CCC(=O)Cc1nccs1 1458a_100000701222_100015184050 [0,1,0,0,0,1|1,1,0]=4 3087 B14R1.731 CCC(C)CNC(=O)Cc1ccc[nH]1 11a_100020588543_100000238377 [0,1,0,0,0,1|2,0,0]=4 3088 B14R1.731 CCC(C)CNC(=O)Cc1ccc[nH]1 240690a_100020588543_100000238377 [0,1,0,0,0,1|2,0,0]=4 3089 B14R1.731 CCC(C)CNC(=O)Cc1ccc[nH]1 527a_100020588543_100000238377 [0,1,0,0,0,1|2,0,0]=4 3090 B14R1.731 CCC(C)CNC(=O)Cc1ccco1 11a_100020588543_100011217309 [0,1,0,0,0,1|1,0,0]=3 3091 B14R1.731 CCC(C)CNC(=O)Cc1ccco1 527a_100020588543_100011217309 [0,1,0,0,0,1|1,0,0]=3 3092 B14R1.731 CCC(C)CNC(=O)Cc1cccs1 11a_100020588543_100000210189 [0,1,0,0,0,1|1,1,0]=4 3093 B14R1.731 CCC(C)CNC(=O)Cc1cccs1 1626a_100020588543_100000210189 [0,1,0,0,0,1|1,1,0]=4 3094 B14R1.731 CCC(C)CNC(=O)Cc1cccs1 240690a_100020588543_100000210189 [0,1,0,0,0,1|1,1,0]=4 3095 B14R1.731 CCC(C)NNC(=O)Cc1ccco1 22a_100000718999_100011217309 [0,1,0,0,0,1|2,0,0]=4 3096 B14R1.731 CCC(O)CNC(=O)Cc1ccc[nH]1 11a_100011218483_100000238377 [0,1,0,0,0,1|2,0,0]=4 3097 B14R1.731 CCC(O)CNC(=O)Cc1ccc[nH]1 240690a_100011218483_100000238377 [0,1,0,0,0,1|2,0,0]=4 3098 B14R1.731 CCC(O)CNC(=O)Cc1ccc[nH]1 527a_100011218483_100000238377 [0,1,0,0,0,1|2,0,0]=4 3099 B14R1.731 CCC(O)CNC(=O)Cc1ccco1 11a_100011218483_100011217309 [0,1,0,0,0,1|1,0,0]=3 3100 B14R1.731 CCC(O)CNC(=O)Cc1ccco1 527a_100011218483_100011217309 [0,1,0,0,0,1|1,0,0]=3 3101 B14R1.731 CCC(O)CNC(=O)Cc1cccs1 11a_100011218483_100000210189 [0,1,0,0,0,1|1,1,0]=4 3102 B14R1.731 CCC(O)CNC(=O)Cc1cccs1 240690a_100011218483_100000210189 [0,1,0,0,0,1|1,1,0]=4 3103 B14R1.731 CCN(C)CCC(=O)Cc1ncco1 1458a_100000755305_103436540062 [0,1,0,0,0,1|2,0,0]=4 3104 B14R1.731 CCS(=O)CCC(=O)Cc1ncco1 1458a_100011387550_103436540062 [0,1,0,0,0,1|2,0,0]=4 3105 B14R1.731 CO[C@H](C)CNC(=O)Cc1ccco1 11a_100020591295_100011217309 [0,1,0,0,0,1|2,0,0]=4 3106 B14R1.731 CO[C@H](C)CNC(=O)Cc1ccco1 527a_100020591295_100011217309 [0,1,0,0,0,1|2,0,0]=4 3107 B14R1.731 O=C(Cc1ccco1)NC[C@@H](F)CO 527a_100015665980_100011217309 [0,1,0,0,0,1|2,0,0]=4 3108 B14R1.731 O=C(Cc1ccco1)NC[C@H](O)CO 527a_100020644852_100011217309 [0,1,0,0,0,1|2,0,0]=4 3109 B14R1.777 CCCCCN(CC)Cc1ccco1 2230a_100000739255_100000210326 [0,1,0,0,0,1|2,0,0]=4 3110 B14R1.777 CCCCCN(CC)Cc1ccco1 269982a_100000739255_100000210215 [0,1,0,0,0,1|2,0,0]=4 3111 B14R1.810 CC(=CCCC(=O)Cc1ccco1)C 1458a_100011217309_100011217483 [0,1,0,0,0,1|0,0,2]=4 3112 B14R1.810 CC(=O)CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011215641 [0,1,0,0,0,1|1,0,1]=4 3113 B14R1.810 CC(=O)CCCC(=O)Cc1ccco1 1458a_100011217309_100011215641 [0,1,0,0,0,1|0,0,1]=3 3114 B14R1.810 CC(=O)CCCC(=O)Cc1cccs1 1458a_100000210189_100011215641 [0,1,0,0,0,1|0,1,1]=4 3115 B14R1.810 CC(=O)NCCC(=O)Cc1ccco1 1458a_100011217309_100000189650 [0,1,0,0,0,1|1,0,1]=4 3116 B14R1.810 CC(=O)OCCC(=O)Cc1ccco1 1458a_100011217309_100009814007 [0,1,0,0,0,1|1,0,1]=4 3117 B14R1.810 CC(C)CCCC(=O)Cc1c[nH]cn1 1458a_100011216857_100000707719 [0,1,0,0,0,1|2,0,0]=4 3118 B14R1.810 CC(C)CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100011214892 [0,1,0,0,0,1|2,0,0]=4 3119 B14R1.810 CC(C)CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011214892 [0,1,0,0,0,1|1,0,0]=3 3120 B14R1.810 CC(C)CCCC(=O)Cc1ccco1 1458a_100011217309_100011214892 [0,1,0,0,0,1|0,0,0]=2 3121 B14R1.810 CC(C)CCCC(=O)Cc1cccs1 1458a_100000210189_100011214892 [0,1,0,0,0,1|0,1,0]=3 3122 B14R1.810 CC(C)CCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100011214892 [0,1,0,0,0,1|2,0,0]=4 3123 B14R1.810 CC(C)CCCC(=O)Cc1ccn[nH]1 1458a_100011216857_100000728653 [0,1,0,0,0,1|2,0,0]=4 3124 B14R1.810 CC(C)CCCC(=O)Cc1ccoc1 1458a_100000684892_100011214892 [0,1,0,0,0,1|2,0,0]=4 3125 B14R1.810 CC(C)CCCC(=O)Cc1ccon1 1458a_100011216857_100000234950 [0,1,0,0,0,1|2,0,0]=4 3126 B14R1.810 CC(C)CCCC(=O)Cc1ccsc1 1458a_100000184062_100011214892 [0,1,0,0,0,1|2,0,0]=4 3127 B14R1.810 CC(C)CCCC(=O)Cc1ccsc1 1458a_100011216857_100011233845 [0,1,0,0,0,1|2,0,0]=4 3128 B14R1.810 CC(C)CCCC(=O)Cc1cncs1 1458a_100011216857_100015185245 [0,1,0,0,0,1|1,1,0]=4 3129 B14R1.810 CC(C)CCCC(=O)Cc1cscn1 1458a_100011216857_100000205941 [0,1,0,0,0,1|2,0,0]=4 3130 B14R1.810 CC(C)CCCC(=O)Cc1cscn1 1458a_100011438297_100011214892 [0,1,0,0,0,1|2,0,0]=4 3131 B14R1.810 CC(C)CCCC(=O)Cc1ncco1 1458a_100011216857_103436540062 [0,1,0,0,0,1|1,0,0]=3 3132 B14R1.810 CC(C)CCCC(=O)Cc1nccs1 1458a_100011216857_100015184050 [0,1,0,0,0,1|1,1,0]=4 3133 B14R1.810 CC(C)CCCC(=O)Cn1cccc1 1458a_100011196272_100011214892 [0,1,0,0,0,1|2,0,0]=4 3134 B14R1.810 CC(C)CCCC(=O)Cn1cccn1 1458a_100000233772_100011214892 [0,1,0,0,0,1|2,0,0]=4 3135 B14R1.810 CC(C)CCCN(C)Cc1ccco1 2230a_100000185268_100011214892 [0,1,0,0,0,1|2,0,0]=4 3136 B14R1.810 CC(C)CCCN(C)Cc1ccco1 269982a_100000185268_100011214892 [0,1,0,0,0,1|2,0,0]=4 3137 B14R1.810 CC(C)CCNC(=O)Cc1ccc[nH]1 11a_100000210545_100000238377 [0,1,0,0,0,1|2,0,0]=4 3138 B14R1.810 CC(C)CCNC(=O)Cc1ccc[nH]1 240690a_100000210545_100000238377 [0,1,0,0,0,1|2,0,0]=4 3139 B14R1.810 CC(C)CCNC(=O)Cc1ccc[nH]1 527a_100000210545_100000238377 [0,1,0,0,0,1|2,0,0]=4 3140 B14R1.810 CC(C)CCNC(=O)Cc1ccco1 11a_100000210545_100011217309 [0,1,0,0,0,1|1,0,0]=3 3141 B14R1.810 CC(C)CCNC(=O)Cc1ccco1 527a_100000210545_100011217309 [0,1,0,0,0,1|1,0,0]=3 3142 B14R1.810 CC(C)CCNC(=O)Cc1cccs1 11a_100000210545_100000210189 [0,1,0,0,0,1|1,1,0]=4 3143 B14R1.810 CC(C)CCNC(=O)Cc1cccs1 1626a_100000210545_100000210189 [0,1,0,0,0,1|1,1,0]=4 3144 B14R1.810 CC(C)CCNC(=O)Cc1cccs1 240690a_100000210545_100000210189 [0,1,0,0,0,1|1,1,0]=4 3145 B14R1.810 CC(C)CNNC(=O)Cc1ccco1 22a_100000696102_100011217309 [0,1,0,0,0,1|2,0,0]=4 3146 B14R1.810 CC(C)COCC(=O)Cc1ncco1 1458a_100011223364_103436540062 [0,1,0,0,0,1|2,0,0]=4 3147 B14R1.810 CC(C)OCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000211751 [0,1,0,0,0,1|2,0,0]=4 3148 B14R1.810 CC(C)OCCC(=O)Cc1ccco1 1458a_100011217309_100000211751 [0,1,0,0,0,1|1,0,0]=3 3149 B14R1.810 CC(C)OCCC(=O)Cc1cccs1 1458a_100000210189_100000211751 [0,1,0,0,0,1|1,1,0]=4 3150 B14R1.810 CC(C)SCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000730970 [0,1,0,0,0,1|2,0,0]=4 3151 B14R1.810 CC(C)SCCC(=O)Cc1ccco1 1458a_100011217309_100000730970 [0,1,0,0,0,1|1,0,0]=3 3152 B14R1.810 CC(C)SCCC(=O)Cc1cccs1 1458a_100000210189_100000730970 [0,1,0,0,0,1|1,1,0]=4 3153 B14R1.810 CC(O)CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_200000718107 [0,1,0,0,0,1|2,0,0]=4 3154 B14R1.810 CC(O)CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_200000718107 [0,1,0,0,0,1|1,0,0]=3 3155 B14R1.810 CC(O)CCCC(=O)Cc1ccco1 1458a_100011217309_200000718107 [0,1,0,0,0,1|0,0,0]=2 3156 B14R1.810 CC(O)CCCC(=O)Cc1cccs1 1458a_100000210189_200000718107 [0,1,0,0,0,1|0,1,0]=3 3157 B14R1.810 CC(O)CCCC(=O)Cc1ccn[nH]1 1458a_100000752941_200000718107 [0,1,0,0,0,1|2,0,0]=4 3158 B14R1.810 CC(O)CCCC(=O)Cc1ccoc1 1458a_100000684892_200000718107 [0,1,0,0,0,1|2,0,0]=4 3159 B14R1.810 CC(O)CCCC(=O)Cc1ccsc1 1458a_100000184062_200000718107 [0,1,0,0,0,1|2,0,0]=4 3160 B14R1.810 CC(O)CCCC(=O)Cc1cscn1 1458a_100011438297_200000718107 [0,1,0,0,0,1|2,0,0]=4 3161 B14R1.810 CC(O)CCCC(=O)Cn1cccc1 1458a_100011196272_200000718107 [0,1,0,0,0,1|2,0,0]=4 3162 B14R1.810 CC(O)CCCC(=O)Cn1cccn1 1458a_100000233772_200000718107 [0,1,0,0,0,1|2,0,0]=4 3163 B14R1.810 CC(O)CCCN(C)Cc1ccco1 2230a_100000185268_200000718107 [0,1,0,0,0,1|2,0,0]=4 3164 B14R1.810 CC(O)CCCN(C)Cc1ccco1 269982a_100000185268_200000718107 [0,1,0,0,0,1|2,0,0]=4 3165 B14R1.810 CC(O)CCNC(=O)Cc1ccc[nH]1 240690a_200000755665_100000238377 [0,1,0,0,0,1|2,0,0]=4 3166 B14R1.810 CC(O)CCNC(=O)Cc1ccc[nH]1 527a_200000755665_100000238377 [0,1,0,0,0,1|2,0,0]=4 3167 B14R1.810 CC(O)CCNC(=O)Cc1ccco1 527a_200000755665_100011217309 [0,1,0,0,0,1|1,0,0]=3 3168 B14R1.810 CC(O)CCNC(=O)Cc1cccs1 240690a_200000755665_100000210189 [0,1,0,0,0,1|1,1,0]=4 3169 B14R1.810 CC(O)CNNC(=O)Cc1ccco1 22a_200000730056_100011217309 [0,1,0,0,0,1|2,0,0]=4 3170 B14R1.810 CN(C)CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000695564 [0,1,0,0,0,1|2,0,0]=4 3171 B14R1.810 CN(C)CCCC(=O)Cc1ccco1 1458a_100011217309_100000695564 [0,1,0,0,0,1|1,0,0]=3 3172 B14R1.810 CN(C)CCCC(=O)Cc1cccs1 1458a_100000210189_100000695564 [0,1,0,0,0,1|1,1,0]=4 3173 B14R1.810 CN(C)CCNC(=O)Cc1ccco1 527a_100000210585_100011217309 [0,1,0,0,0,1|2,0,0]=4 3174 B14R1.810 NC(=O)CCCC(=O)Cc1ccco1 1458a_100011217309_100102525003 [0,1,0,0,0,1|1,0,1]=4 3175 B14R1.1047 CCCCCC(=O)Cc1ccnn1C 1458a_100000212188_100000691648 [0,1,0,0,0,1|2,0,0]=4 3176 B14R1.1047 CCCCCC(=O)Cc1ccsc1Br 1458a_100000212188_100009814289 [0,1,0,0,0,1|2,0,0]=4 3177 B14R1.1047 CCCCCC(=O)Cc1ccsc1Cl 1458a_100000212188_100010167017 [0,1,0,0,0,1|2,0,0]=4 3178 B14R1.1047 CCCCCC(=O)Cc1nc[nH]c1C 1458a_100000212188_100000751220 [0,1,0,0,0,1|2,0,0]=4 3179 B14R1.1047 CCCCCC(=O)Cc1ncoc1C 1458a_100000212188_200000693990 [0,1,0,0,0,1|2,0,0]=4 3180 B14R1.1047 CCCCCC(=O)Cn1nccc1C 1458a_100000759144_100000210326 [0,1,0,0,0,1|2,0,0]=4 3181 B14R1.1047 CCCCCN(C)Cc1occc1Br 270004a_100000223495_100000756499 [0,1,0,0,0,1|2,0,0]=4 3182 B14R1.1047 CCCCCN(C)Cc1occc1C 2230a_100000734364_100000210326 [0,1,0,0,0,1|2,0,0]=4 3183 B14R1.1047 CCCCCN(C)Cc1occc1C 269982a_100000734364_100000210215 [0,1,0,0,0,1|2,0,0]=4 3184 B14R1.1047 CCCCCN(C)Cc1occc1C 270004a_100000223495_100000763527 [0,1,0,0,0,1|2,0,0]=4 3185 B14R1.28 CCCC(=O)CC(=O)c1ccc(s1)Br 1458a_100000211992_100000185163 [0,2,0,0,0,0|0,1,1]=4 3186 B14R1.28 CCCC(=O)CC(=O)c1ccc(s1)C 1458a_100000211992_100011262362 [0,2,0,0,0,0|0,1,1]=4 3187 B14R1.28 CCCC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000211992_100000185135 [0,2,0,0,0,0|0,1,1]=4 3188 B14R1.28 CCCN(C)CC(=O)c1ccc(s1)Br 2230a_100000747261_100000185163 [0,2,0,0,0,0|1,1,0]=4 3189 B14R1.28 CCCN(C)CC(=O)c1ccc(s1)Br 269982a_100000747261_100000185163 [0,2,0,0,0,0|1,1,0]=4 3190 B14R1.28 CCCN(C)CC(=O)c1ccc(s1)C 2230a_100000747261_100011262362 [0,2,0,0,0,0|1,1,0]=4 3191 B14R1.28 CCCN(C)CC(=O)c1ccc(s1)C 269982a_100000747261_100011262362 [0,2,0,0,0,0|1,1,0]=4 3192 B14R1.28 CCCN(C)CC(=O)c1ccc(s1)Cl 2230a_100000747261_100000185135 [0,2,0,0,0,0|1,1,0]=4 3193 B14R1.28 CCCN(C)CC(=O)c1ccc(s1)Cl 269982a_100000747261_100000185135 [0,2,0,0,0,0|1,1,0]=4 3194 B14R1.37 CCCC=NNC(=O)c1ccc(o1)Br 4a_100000186364_100000185831 [0,2,0,0,0,0|1,0,1]=4 3195 B14R1.37 CCCC=NNC(=O)c1ccc(o1)C 4a_100000189940_100000185831 [0,2,0,0,0,0|1,0,1]=4 3196 B14R1.37 CCCCCNC(C)c1ccc(o1)C 269862a_100000209983_100000204583 [0,2,0,0,0,0|1,0,1]=4 3197 B14R1.37 CCCCNCC(=O)c1ccc(s1)Br 2230a_100000102301_100000185163 [0,2,0,0,0,0|0,1,0]=3 3198 B14R1.37 CCCCNCC(=O)c1ccc(s1)Br 7a_106832991798_100000185163 [0,2,0,0,0,0|0,1,0]=3 3199 B14R1.37 CCCCNCC(=O)c1ccc(s1)C 2230a_100000102301_100011262362 [0,2,0,0,0,0|0,1,0]=3 3200 B14R1.37 CCCCNCC(=O)c1ccc(s1)C 7a_106832991798_100011262362 [0,2,0,0,0,0|0,1,0]=3 3201 B14R1.37 CCCCNCC(=O)c1ccc(s1)Cl 2230a_100000102301_100000185135 [0,2,0,0,0,0|0,1,0]=3 3202 B14R1.37 CCCCNCC(=O)c1ccc(s1)Cl 7a_106832991798_100000185135 [0,2,0,0,0,0|0,1,0]=3 3203 B14R1.37 CCCCNN=C(C)c1ccc(o1)Br 4a_100025702795_100000229899 [0,2,0,0,0,0|2,0,0]=4 3204 B14R1.37 CCCCNN=C(C)c1ccc(o1)C 4a_100025702795_100000204583 [0,2,0,0,0,0|2,0,0]=4 3205 B14R1.37 CCCCOCC(=O)c1ccc(s1)Br 7a_100000210227_100000185163 [0,2,0,0,0,0|0,1,0]=3 3206 B14R1.37 CCCCOCC(=O)c1ccc(s1)C 34a_100000210227_100011262362 [0,2,0,0,0,0|0,1,0]=3 3207 B14R1.37 CCCCOCC(=O)c1ccc(s1)C 7a_100000210227_100011262362 [0,2,0,0,0,0|0,1,0]=3 3208 B14R1.37 CCCCOCC(=O)c1ccc(s1)Cl 7a_100000210227_100000185135 [0,2,0,0,0,0|0,1,0]=3 3209 B14R1.37 CCCCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000210210 [0,2,0,0,0,0|0,1,0]=3 3210 B14R1.37 CCCCSCC(=O)c1ccc(s1)C 62a_100000210211_100011262362 [0,2,0,0,0,0|0,1,0]=3 3211 B14R1.37 CCCCSCC(=O)c1ccc(s1)C 62a_100011262362_100000210210 [0,2,0,0,0,0|0,1,0]=3 3212 B14R1.37 CCCCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000210210 [0,2,0,0,0,0|0,1,0]=3 3213 B14R1.37 CCCCSCC(=O)c1ccc(s1)Cl 62a_100000210211_100000185135 [0,2,0,0,0,0|0,1,0]=3 3214 B14R1.37 CCCNCCC(C)c1ccc(o1)C 270004a_100020643023_200000043041 [0,2,0,0,0,0|1,0,1]=4 3215 B14R1.37 CCOCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000739092 [0,2,0,0,0,0|1,1,0]=4 3216 B14R1.37 CCOCSCC(=O)c1ccc(s1)C 62a_100000739092_100011262362 [0,2,0,0,0,0|1,1,0]=4 3217 B14R1.37 CCOCSCC(=O)c1ccc(s1)C 62a_100011262362_100000739092 [0,2,0,0,0,0|1,1,0]=4 3218 B14R1.37 CCOCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000739092 [0,2,0,0,0,0|1,1,0]=4 3219 B14R1.37 CCOCSCC(=O)c1ccc(s1)Cl 62a_100000739092_100000185135 [0,2,0,0,0,0|1,1,0]=4 3220 B14R1.37 COCCNCC(=O)c1ccc(s1)Br 2230a_100000209980_100000185163 [0,2,0,0,0,0|1,1,0]=4 3221 B14R1.37 COCCNCC(=O)c1ccc(s1)C 2230a_100000209980_100011262362 [0,2,0,0,0,0|1,1,0]=4 3222 B14R1.37 COCCNCC(=O)c1ccc(s1)Cl 2230a_100000209980_100000185135 [0,2,0,0,0,0|1,1,0]=4 3223 B14R1.37 COCCOCC(=O)c1ccc(s1)C 34a_100000210237_100011262362 [0,2,0,0,0,0|1,1,0]=4 3224 B14R1.37 COCCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000233755 [0,2,0,0,0,0|1,1,0]=4 3225 B14R1.37 COCCSCC(=O)c1ccc(s1)C 62a_100000233755_100011262362 [0,2,0,0,0,0|1,1,0]=4 3226 B14R1.37 COCCSCC(=O)c1ccc(s1)C 62a_100011262362_100000233755 [0,2,0,0,0,0|1,1,0]=4 3227 B14R1.37 COCCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000233755 [0,2,0,0,0,0|1,1,0]=4 3228 B14R1.37 COCCSCC(=O)c1ccc(s1)Cl 62a_100000233755_100000185135 [0,2,0,0,0,0|1,1,0]=4 3229 B14R1.37 CSCCNCC(=O)c1ccc(s1)Br 2230a_100020590264_100000185163 [0,2,0,0,0,0|1,1,0]=4 3230 B14R1.37 CSCCNCC(=O)c1ccc(s1)C 2230a_100020590264_100011262362 [0,2,0,0,0,0|1,1,0]=4 3231 B14R1.37 CSCCNCC(=O)c1ccc(s1)Cl 2230a_100020590264_100000185135 [0,2,0,0,0,0|1,1,0]=4 3232 B14R1.37 CSCCOCC(=O)c1ccc(s1)Br 7a_100000230434_100000185163 [0,2,0,0,0,0|1,1,0]=4 3233 B14R1.37 CSCCOCC(=O)c1ccc(s1)C 34a_100000230434_100011262362 [0,2,0,0,0,0|1,1,0]=4 3234 B14R1.37 CSCCOCC(=O)c1ccc(s1)C 7a_100000230434_100011262362 [0,2,0,0,0,0|1,1,0]=4 3235 B14R1.37 CSCCOCC(=O)c1ccc(s1)Cl 7a_100000230434_100000185135 [0,2,0,0,0,0|1,1,0]=4 3236 B14R1.37 CSCCSCC(=O)c1ccc(s1)Br 62a_100000185163_100000751147 [0,2,0,0,0,0|1,1,0]=4 3237 B14R1.37 CSCCSCC(=O)c1ccc(s1)C 62a_100000212216_100011262362 [0,2,0,0,0,0|1,1,0]=4 3238 B14R1.37 CSCCSCC(=O)c1ccc(s1)C 62a_100011262362_100000751147 [0,2,0,0,0,0|1,1,0]=4 3239 B14R1.37 CSCCSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000751147 [0,2,0,0,0,0|1,1,0]=4 3240 B14R1.37 CSCCSCC(=O)c1ccc(s1)Cl 62a_100000212216_100000185135 [0,2,0,0,0,0|1,1,0]=4 3241 B14R1.37 Cc1ccc(s1)C(=O)CNCCCF 2230a_100015189416_100011262362 [0,2,0,0,0,0|1,1,0]=4 3242 B14R1.37 Cc1ccc(s1)C(=O)CNCCCF 34a_100015189416_100011262362 [0,2,0,0,0,0|1,1,0]=4 3243 B14R1.37 Cc1ccc(s1)C(=O)COCCCBr 34a_100011217188_100011262362 [0,2,0,0,0,0|1,1,0]=4 3244 B14R1.37 Cc1ccc(s1)C(=O)COCCCCl 34a_100000230001_100011262362 [0,2,0,0,0,0|1,1,0]=4 3245 B14R1.37 Cc1ccc(s1)C(=O)COCCCF 34a_100000759539_100011262362 [0,2,0,0,0,0|1,1,0]=4 3246 B14R1.37 Cc1ccc(s1)C(=O)COCCCN 34a_100000182051_100011262362 [0,2,0,0,0,0|1,1,0]=4 3247 B14R1.37 Cc1ccc(s1)C(=O)CSCCCF 62a_100011262362_100011934791 [0,2,0,0,0,0|1,1,0]=4 3248 B14R1.37 Cc1ccc(s1)C(=O)CSCCCF 62a_100011934791_100011262362 [0,2,0,0,0,0|1,1,0]=4 3249 B14R1.37 Cc1ccc(s1)C(=O)CSCCCO 62a_100011215043_100011262362 [0,2,0,0,0,0|1,1,0]=4 3250 B14R1.37 Cc1ccc(s1)C(=O)CSCCCO 62a_100011262362_100011215043 [0,2,0,0,0,0|1,1,0]=4 3251 B14R1.37 O=C(CNCCCF)c1ccc(s1)Br 2230a_100015189416_100000185163 [0,2,0,0,0,0|1,1,0]=4 3252 B14R1.37 O=C(CNCCCF)c1ccc(s1)Cl 2230a_100015189416_100000185135 [0,2,0,0,0,0|1,1,0]=4 3253 B14R1.37 O=C(CSCCCF)c1ccc(s1)Br 62a_100000185163_100011934791 [0,2,0,0,0,0|1,1,0]=4 3254 B14R1.37 O=C(CSCCCF)c1ccc(s1)Cl 62a_100000185135_100011934791 [0,2,0,0,0,0|1,1,0]=4 3255 B14R1.37 O=C(CSCCCF)c1ccc(s1)Cl 62a_100011934791_100000185135 [0,2,0,0,0,0|1,1,0]=4 3256 B14R1.37 O=C(CSCCCO)c1ccc(s1)Br 62a_100000185163_100011215043 [0,2,0,0,0,0|1,1,0]=4 3257 B14R1.37 O=C(CSCCCO)c1ccc(s1)Cl 62a_100000185135_100011215043 [0,2,0,0,0,0|1,1,0]=4 3258 B14R1.37 O=C(CSCCCO)c1ccc(s1)Cl 62a_100011215043_100000185135 [0,2,0,0,0,0|1,1,0]=4 3259 B14R1.162 CCC(=O)CNC(=O)c1ccc(o1)Br 1458a_100000183800_100000210202 [0,2,0,0,0,0|1,0,1]=4 3260 B14R1.162 CCC(C)NCC(=O)c1ccc(s1)Br 2230a_100000209981_100000185163 [0,2,0,0,0,0|1,1,0]=4 3261 B14R1.162 CCC(C)NCC(=O)c1ccc(s1)C 2230a_100000209981_100011262362 [0,2,0,0,0,0|1,1,0]=4 3262 B14R1.162 CCC(C)NCC(=O)c1ccc(s1)Cl 2230a_100000209981_100000185135 [0,2,0,0,0,0|1,1,0]=4 3263 B14R1.162 CCC(C)OCC(=O)c1ccc(s1)Br 7a_100000210228_100000185163 [0,2,0,0,0,0|1,1,0]=4 3264 B14R1.162 CCC(C)OCC(=O)c1ccc(s1)C 7a_100000210228_100011262362 [0,2,0,0,0,0|1,1,0]=4 3265 B14R1.162 CCC(C)OCC(=O)c1ccc(s1)Cl 7a_100000210228_100000185135 [0,2,0,0,0,0|1,1,0]=4 3266 B14R1.162 CCC(C)SCC(=O)c1ccc(s1)Br 62a_100000185163_100000758301 [0,2,0,0,0,0|1,1,0]=4 3267 B14R1.162 CCC(C)SCC(=O)c1ccc(s1)C 62a_100000758301_100011262362 [0,2,0,0,0,0|1,1,0]=4 3268 B14R1.162 CCC(C)SCC(=O)c1ccc(s1)C 62a_100011262362_100000758301 [0,2,0,0,0,0|1,1,0]=4 3269 B14R1.162 CCC(C)SCC(=O)c1ccc(s1)Cl 62a_100000185135_100000758301 [0,2,0,0,0,0|1,1,0]=4 3270 B14R1.162 CCC(C)SCC(=O)c1ccc(s1)Cl 62a_100000758301_100000185135 [0,2,0,0,0,0|1,1,0]=4 3271 B14R1.1040 C=Cc1ccc(o1)C(=O)NCCCC 271570a_100011290941_200000159057 [0,2,0,0,0,0|1,0,0]=3 3272 B14R1.1040 C=Cc1ccc(o1)C(=O)NCCOC 271570a_100011290941_100000157853 [0,2,0,0,0,0|2,0,0]=4 3273 B14R1.1040 CCCCNC(=O)c1ccc(o1)NC 27a_100102657272_200000159057 [0,2,0,0,0,0|1,0,0]=3 3274 B14R1.1040 CCCCNC(=O)c1ccc(o1)SC 62a_200000210301_200000159057 [0,2,0,0,0,0|1,0,0]=3 3275 B14R1.1040 CCCCNC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_200000159057 [0,2,0,0,0,0|1,0,0]=3 3276 B14R1.1040 CCCSCC(=O)c1ccc(s1)C#N 62a_100000210303_100009817167 [0,2,0,0,0,0|1,1,0]=4 3277 B14R1.1040 COCCNC(=O)c1ccc(o1)SC 62a_200000210301_100000157853 [0,2,0,0,0,0|2,0,0]=4 3278 B14R1.1040 COCCNC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000157853 [0,2,0,0,0,0|2,0,0]=4 3279 B14R1.1041 CCCSCC(=O)n1oc(cc1=O)C 62a_100000210303_100000023040 [0,2,0,0,0,0|2,0,0]=4 3280 B14R1.3022 CCCSCC(=O)c1scc(c1Br)Br 62a_100000210303_100012351080 [0,2,0,0,0,0|1,1,0]=4 3281 B14R1.3022 CCCSCC(=O)c1scc(c1Br)Br 62a_100012351080_100000210303 [0,2,0,0,0,0|1,1,0]=4 3282 B14R1.4268 CC(C)CNCC(=O)c1ccc(s1)Br 2230a_100000210953_100000185163 [0,2,0,0,0,0|1,1,0]=4 3283 B14R1.4268 CC(C)CNCC(=O)c1ccc(s1)Cl 2230a_100000210953_100000185135 [0,2,0,0,0,0|1,1,0]=4 3284 B14R1.4268 CC(C)CSCC(=O)c1ccc(s1)Br 62a_100000185163_100000210760 [0,2,0,0,0,0|1,1,0]=4 3285 B14R1.4268 CC(C)CSCC(=O)c1ccc(s1)Cl 62a_100000185135_100000210760 [0,2,0,0,0,0|1,1,0]=4 3286 B14R1.4268 CC(C)CSCC(=O)c1ccc(s1)Cl 62a_100000210624_100000185135 [0,2,0,0,0,0|1,1,0]=4 3287 B14R1.4268 CC(O)CNCC(=O)c1ccc(s1)Br 2230a_100000210904_100000185163 [0,2,0,0,0,0|1,1,0]=4 3288 B14R1.4268 CC(O)CNCC(=O)c1ccc(s1)Cl 2230a_100000210904_100000185135 [0,2,0,0,0,0|1,1,0]=4 3289 B14R1.4268 CC(O)CSCC(=O)c1ccc(s1)Br 62a_100000185163_100011218427 [0,2,0,0,0,0|1,1,0]=4 3290 B14R1.4268 CC(O)CSCC(=O)c1ccc(s1)Cl 62a_100000185135_100011218427 [0,2,0,0,0,0|1,1,0]=4 3291 B14R1.4268 CC(O)CSCC(=O)c1ccc(s1)Cl 62a_100011218427_100000185135 [0,2,0,0,0,0|1,1,0]=4 3292 B14R1.4268 C[C@@H](O)CSCC(=O)c1ccc(s1)Br 62a_100000185163_100009817552 [0,2,0,0,0,0|1,1,0]=4 3293 B14R1.4268 C[C@@H](O)CSCC(=O)c1ccc(s1)Cl 62a_100000185135_100009817552 [0,2,0,0,0,0|1,1,0]=4 3294 B14R1.4268 C[C@@H](O)CSCC(=O)c1ccc(s1)Cl 62a_100009817552_100000185135 [0,2,0,0,0,0|1,1,0]=4 3295 B14R1.4268 Cc1ccc(s1)C(=O)CNCC(C)C 2230a_100000210953_100011262362 [0,2,0,0,0,0|1,1,0]=4 3296 B14R1.4268 Cc1ccc(s1)C(=O)CNCC(C)C 34a_100000210953_100011262362 [0,2,0,0,0,0|1,1,0]=4 3297 B14R1.4268 Cc1ccc(s1)C(=O)CNCC(C)O 2230a_100000210904_100011262362 [0,2,0,0,0,0|1,1,0]=4 3298 B14R1.4268 Cc1ccc(s1)C(=O)CNCC(C)O 34a_100000210904_100011262362 [0,2,0,0,0,0|1,1,0]=4 3299 B14R1.4268 Cc1ccc(s1)C(=O)COCC(C)Br 34a_100012180447_100011262362 [0,2,0,0,0,0|1,1,0]=4 3300 B14R1.4268 Cc1ccc(s1)C(=O)COCC(C)C 34a_100000210257_100011262362 [0,2,0,0,0,0|1,1,0]=4 3301 B14R1.4268 Cc1ccc(s1)C(=O)COCC(C)F 34a_100015925927_100011262362 [0,2,0,0,0,0|1,1,0]=4 3302 B14R1.4268 Cc1ccc(s1)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011262362 [0,2,0,0,0,0|1,1,0]=4 3303 B14R1.4268 Cc1ccc(s1)C(=O)COC[C@@H](C)N 34a_100000737577_100011262362 [0,2,0,0,0,0|1,1,0]=4 3304 B14R1.4268 Cc1ccc(s1)C(=O)CSCC(C)C 62a_100000210624_100011262362 [0,2,0,0,0,0|1,1,0]=4 3305 B14R1.4268 Cc1ccc(s1)C(=O)CSCC(C)C 62a_100011262362_100000210760 [0,2,0,0,0,0|1,1,0]=4 3306 B14R1.4268 Cc1ccc(s1)C(=O)CSCC(C)O 62a_100011218427_100011262362 [0,2,0,0,0,0|1,1,0]=4 3307 B14R1.4268 Cc1ccc(s1)C(=O)CSCC(C)O 62a_100011262362_100011218427 [0,2,0,0,0,0|1,1,0]=4 3308 B14R1.4268 Cc1ccc(s1)C(=O)CSC[C@@H](C)O 62a_100009817552_100011262362 [0,2,0,0,0,0|1,1,0]=4 3309 B14R1.4268 Cc1ccc(s1)C(=O)CSC[C@@H](C)O 62a_100011262362_100009817552 [0,2,0,0,0,0|1,1,0]=4 3310 B14R1.137 C#CCCC(=O)CC(=O)c1ccco1 1458a_100000692101_100000211439 [0,2,0,0,0,0|0,0,2]=4 3311 B14R1.137 C=CCCC(=O)CC(=O)c1ccco1 1458a_100000749702_100000211439 [0,2,0,0,0,0|0,0,2]=4 3312 B14R1.137 C=CCCN(C)CC(=O)c1ccco1 269982a_100020639649_100000211439 [0,2,0,0,0,0|0,0,2]=4 3313 B14R1.137 CC=CCC(=O)CC(=O)c1ccco1 1458a_100121576822_100000211439 [0,2,0,0,0,0|0,0,2]=4 3314 B14R1.137 CCC#CC(=O)CC(=O)c1ccco1 1458a_100011827653_100000211439 [0,2,0,0,0,0|0,0,2]=4 3315 B14R1.137 CCC=CC(=O)CC(=O)c1ccco1 1458a_100000212282_100000211439 [0,2,0,0,0,0|0,0,2]=4 3316 B14R1.137 CCCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210183_200011262396 [0,2,0,0,0,0|1,0,0]=3 3317 B14R1.137 CCCCC(=O)CC(=O)c1ccco1 1458a_100000210183_100000211439 [0,2,0,0,0,0|0,0,0]=2 3318 B14R1.137 CCCCC(=O)CC(=O)c1cccs1 1458a_100000210183_100000211436 [0,2,0,0,0,0|0,1,0]=3 3319 B14R1.137 CCCCC(=O)CC(=O)c1ccsc1 1458a_100000210183_100011219462 [0,2,0,0,0,0|2,0,0]=4 3320 B14R1.137 CCCCC(=O)CC(=O)c1nccs1 1458a_100000210183_100000718653 [0,2,0,0,0,0|1,1,0]=4 3321 B14R1.137 CCCCC(=O)CC(=O)n1cccn1 1458a_100000210183_100000077511 [0,2,0,0,0,0|2,0,0]=4 3322 B14R1.137 CCCCC(C)N[C@H](C)c1ccco1 2230a_100160469435_200011215066 [0,2,0,0,0,0|1,0,1]=4 3323 B14R1.137 CCCCC(C)N[C@H](C)c1ccco1 270004a_100160469435_100000210087 [0,2,0,0,0,0|1,0,1]=4 3324 B14R1.137 CCCCC(C)O[C@@H](C)c1ccco1 34a_100000755270_200011215066 [0,2,0,0,0,0|1,0,1]=4 3325 B14R1.137 CCCCC(C)O[C@@H](C)c1ccco1 7a_100000755270_200011215066 [0,2,0,0,0,0|1,0,1]=4 3326 B14R1.137 CCCCN(C)CC(=O)c1ccc[nH]1 269982a_100000207549_200011262396 [0,2,0,0,0,0|1,0,0]=3 3327 B14R1.137 CCCCN(C)CC(=O)c1ccco1 269982a_100000207549_100000211439 [0,2,0,0,0,0|0,0,0]=2 3328 B14R1.137 CCCCN(C)CC(=O)c1cccs1 2230a_100000207549_100000211436 [0,2,0,0,0,0|0,1,0]=3 3329 B14R1.137 CCCCN(C)CC(=O)c1cccs1 269982a_100000207549_100000211436 [0,2,0,0,0,0|0,1,0]=3 3330 B14R1.137 CCCCN(C)CC(=O)c1ccsc1 2230a_100000207549_100011219462 [0,2,0,0,0,0|2,0,0]=4 3331 B14R1.137 CCCCN(C)CC(=O)c1ccsc1 269982a_100000207549_100011219462 [0,2,0,0,0,0|2,0,0]=4 3332 B14R1.137 CCCCN(C)CC(=O)c1nccs1 269982a_100000207549_100000718653 [0,2,0,0,0,0|1,1,0]=4 3333 B14R1.137 CCCCN(C)CC(=O)n1cccn1 2230a_100000207549_100000077511 [0,2,0,0,0,0|2,0,0]=4 3334 B14R1.137 CCCCN(C)CC(=O)n1cccn1 269982a_100000207549_100000077511 [0,2,0,0,0,0|2,0,0]=4 3335 B14R1.137 CCNCC(=O)NC(=O)c1ccco1 2230a_100015525214_100000021957 [0,2,0,0,0,0|1,0,1]=4 3336 B14R1.137 CCOCC(=O)CC(=O)c1ccc[nH]1 1458a_100000211967_200011262396 [0,2,0,0,0,0|1,0,1]=4 3337 B14R1.137 CCOCC(=O)CC(=O)c1ccco1 1458a_100000211967_100000211439 [0,2,0,0,0,0|0,0,1]=3 3338 B14R1.137 CCOCC(=O)CC(=O)c1cccs1 1458a_100000211967_100000211436 [0,2,0,0,0,0|0,1,1]=4 3339 B14R1.137 CCSCC(=O)CC(=O)c1ccc[nH]1 1458a_100000230394_200011262396 [0,2,0,0,0,0|1,0,1]=4 3340 B14R1.137 CCSCC(=O)CC(=O)c1ccco1 1458a_100000230394_100000211439 [0,2,0,0,0,0|0,0,1]=3 3341 B14R1.137 CCSCC(=O)CC(=O)c1cccs1 1458a_100000230394_100000211436 [0,2,0,0,0,0|0,1,1]=4 3342 B14R1.137 CCSCC(=O)NC(=O)c1ccco1 62a_100000210202_100000021957 [0,2,0,0,0,0|1,0,1]=4 3343 B14R1.137 CN(CCCO)CC(=O)c1ccc[nH]1 269982a_100000213112_200011262396 [0,2,0,0,0,0|2,0,0]=4 3344 B14R1.137 CN(CCCO)CC(=O)c1ccco1 269982a_100000213112_100000211439 [0,2,0,0,0,0|1,0,0]=3 3345 B14R1.137 CN(CCCO)CC(=O)c1cccs1 2230a_100000213112_100000211436 [0,2,0,0,0,0|1,1,0]=4 3346 B14R1.137 CN(CCCO)CC(=O)c1cccs1 269982a_100000213112_100000211436 [0,2,0,0,0,0|1,1,0]=4 3347 B14R1.137 COCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000749529_200011262396 [0,2,0,0,0,0|1,0,1]=4 3348 B14R1.137 COCCC(=O)CC(=O)c1ccco1 1458a_100000749529_100000211439 [0,2,0,0,0,0|0,0,1]=3 3349 B14R1.137 COCCC(=O)CC(=O)c1cccs1 1458a_100000749529_100000211436 [0,2,0,0,0,0|0,1,1]=4 3350 B14R1.137 COCCN(C)CC(=O)c1ccc[nH]1 269982a_100000743101_200011262396 [0,2,0,0,0,0|2,0,0]=4 3351 B14R1.137 COCCN(C)CC(=O)c1ccco1 269982a_100000743101_100000211439 [0,2,0,0,0,0|1,0,0]=3 3352 B14R1.137 COCCN(C)CC(=O)c1cccs1 2230a_100000743101_100000211436 [0,2,0,0,0,0|1,1,0]=4 3353 B14R1.137 COCCN(C)CC(=O)c1cccs1 269982a_100000743101_100000211436 [0,2,0,0,0,0|1,1,0]=4 3354 B14R1.137 CSCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000174002_200011262396 [0,2,0,0,0,0|1,0,1]=4 3355 B14R1.137 CSCCC(=O)CC(=O)c1ccco1 1458a_100000174002_100000211439 [0,2,0,0,0,0|0,0,1]=3 3356 B14R1.137 CSCCC(=O)CC(=O)c1cccs1 1458a_100000174002_100000211436 [0,2,0,0,0,0|0,1,1]=4 3357 B14R1.137 CSCCN(C)CC(=O)c1ccc[nH]1 269982a_100000686725_200011262396 [0,2,0,0,0,0|2,0,0]=4 3358 B14R1.137 CSCCN(C)CC(=O)c1ccco1 269982a_100000686725_100000211439 [0,2,0,0,0,0|1,0,0]=3 3359 B14R1.137 CSCCN(C)CC(=O)c1cccs1 2230a_100000686725_100000211436 [0,2,0,0,0,0|1,1,0]=4 3360 B14R1.137 CSCCN(C)CC(=O)c1cccs1 269982a_100000686725_100000211436 [0,2,0,0,0,0|1,1,0]=4 3361 B14R1.137 N#CCCC(=O)CC(=O)c1ccco1 1458a_100011934036_100000211439 [0,2,0,0,0,0|0,0,2]=4 3362 B14R1.453 CCCN(CC)CC(=O)c1ccc[nH]1 269982a_100000226822_200011262396 [0,2,0,0,0,0|2,0,0]=4 3363 B14R1.453 CCCN(CC)CC(=O)c1ccco1 269982a_100000226822_100000211439 [0,2,0,0,0,0|1,0,0]=3 3364 B14R1.453 CCCN(CC)CC(=O)c1cccs1 2230a_100000226822_100000211436 [0,2,0,0,0,0|1,1,0]=4 3365 B14R1.453 CCCN(CC)CC(=O)c1cccs1 269982a_100000226822_100000211436 [0,2,0,0,0,0|1,1,0]=4 3366 B14R1.453 CCN(CCO)CC(=O)c1ccco1 269982a_100000210973_100000211439 [0,2,0,0,0,0|2,0,0]=4 3367 B14R1.475 CCCC(=O)C(C)C(=O)c1cccs1 1458a_100000211992_100011262360 [0,2,0,0,0,0|0,1,1]=4 3368 B14R1.475 CCCN(C)C(C)C(=O)c1cccs1 2230a_100000747261_100011262360 [0,2,0,0,0,0|1,1,0]=4 3369 B14R1.475 CCCN(C)C(C)C(=O)c1cccs1 269982a_100000747261_100011262360 [0,2,0,0,0,0|1,1,0]=4 3370 B14R1.620 CCCC(C)NS(=O)(=O)c1ccco1 270084a_100000741246_200000702926 [0,2,0,0,0,0|2,0,0]=4 3371 B14R1.620 CCCC(C)NS(=O)(=O)c1ccco1 274078a_100000741246_200000702926 [0,2,0,0,0,0|2,0,0]=4 3372 B14R1.720 CC(CO)N(C)CC(=O)c1ccco1 269982a_100000693034_100000211439 [0,2,0,0,0,0|2,0,0]=4 3373 B14R1.720 CCC(=O)C(C)NC(=O)c1ccco1 1458a_100000183254_100000210202 [0,2,0,0,0,0|1,0,1]=4 3374 B14R1.720 CCC(C)C(=O)CC(=O)c1ccc[nH]1 1458a_100011192722_200011262396 [0,2,0,0,0,0|1,0,1]=4 3375 B14R1.720 CCC(C)C(=O)CC(=O)c1ccco1 1458a_100011192722_100000211439 [0,2,0,0,0,0|0,0,1]=3 3376 B14R1.720 CCC(C)C(=O)CC(=O)c1cccs1 1458a_100011192722_100000211436 [0,2,0,0,0,0|0,1,1]=4 3377 B14R1.720 CCC(C)N(C)CC(=O)c1ccc[nH]1 269982a_100000741768_200011262396 [0,2,0,0,0,0|2,0,0]=4 3378 B14R1.720 CCC(C)N(C)CC(=O)c1ccco1 269982a_100000741768_100000211439 [0,2,0,0,0,0|1,0,0]=3 3379 B14R1.720 CCC(C)N(C)CC(=O)c1cccs1 2230a_100000741768_100000211436 [0,2,0,0,0,0|1,1,0]=4 3380 B14R1.720 CCC(C)N(C)CC(=O)c1cccs1 269982a_100000741768_100000211436 [0,2,0,0,0,0|1,1,0]=4 3381 B14R1.720 CCC(O)C(=O)CC(=O)c1ccc[nH]1 1458a_100011196387_200011262396 [0,2,0,0,0,0|1,0,1]=4 3382 B14R1.720 CCC(O)C(=O)CC(=O)c1ccco1 1458a_100011196387_100000211439 [0,2,0,0,0,0|0,0,1]=3 3383 B14R1.720 CCC(O)C(=O)CC(=O)c1cccs1 1458a_100011196387_100000211436 [0,2,0,0,0,0|0,1,1]=4 3384 B14R1.720 COC(C)C(=O)CC(=O)c1ccco1 1458a_100000743197_100000211439 [0,2,0,0,0,0|1,0,1]=4 3385 B14R1.720 CSC(C)C(=O)CC(=O)c1ccco1 1458a_100000149566_100000211439 [0,2,0,0,0,0|1,0,1]=4 3386 B14R1.720 O=C(CC(=O)C(O)CO)c1ccco1 1458a_100011215603_100000211439 [0,2,0,0,0,0|1,0,1]=4 3387 B14R1.807 C=C(C)CN(C)CC(=O)c1ccco1 269982a_100000225649_100000211439 [0,2,0,0,0,0|1,0,1]=4 3388 B14R1.807 CC(C)CC(=O)CC(=O)c1ccc[nH]1 1458a_100000210554_200011262396 [0,2,0,0,0,0|1,0,1]=4 3389 B14R1.807 CC(C)CC(=O)CC(=O)c1ccco1 1458a_100000210554_100000211439 [0,2,0,0,0,0|0,0,1]=3 3390 B14R1.807 CC(C)CC(=O)CC(=O)c1cccs1 1458a_100000210554_100000211436 [0,2,0,0,0,0|0,1,1]=4 3391 B14R1.807 CC(C)CN(C)CC(=O)c1ccc[nH]1 269982a_100000747067_200011262396 [0,2,0,0,0,0|2,0,0]=4 3392 B14R1.807 CC(C)CN(C)CC(=O)c1ccco1 269982a_100000747067_100000211439 [0,2,0,0,0,0|1,0,0]=3 3393 B14R1.807 CC(C)CN(C)CC(=O)c1cccs1 2230a_100000747067_100000211436 [0,2,0,0,0,0|1,1,0]=4 3394 B14R1.807 CC(C)CN(C)CC(=O)c1cccs1 269982a_100000747067_100000211436 [0,2,0,0,0,0|1,1,0]=4 3395 B14R1.807 CC(O)CN(C)CC(=O)c1ccc[nH]1 269982a_100000227577_200011262396 [0,2,0,0,0,0|2,0,0]=4 3396 B14R1.807 CC(O)CN(C)CC(=O)c1ccco1 269982a_100000227577_100000211439 [0,2,0,0,0,0|1,0,0]=3 3397 B14R1.807 CC(O)CN(C)CC(=O)c1cccs1 2230a_100000227577_100000211436 [0,2,0,0,0,0|1,1,0]=4 3398 B14R1.807 CC(O)CN(C)CC(=O)c1cccs1 269982a_100000227577_100000211436 [0,2,0,0,0,0|1,1,0]=4 3399 B14R1.807 CN(C)CC(=O)CC(=O)c1ccco1 1458a_100000750896_100000211439 [0,2,0,0,0,0|1,0,1]=4 3400 B14R1.807 C[C@@H](O)CC(=O)CC(=O)c1ccc[nH]1 1458a_100011933948_200011262396 [0,2,0,0,0,0|1,0,1]=4 3401 B14R1.807 C[C@@H](O)CC(=O)CC(=O)c1ccco1 1458a_100011933948_100000211439 [0,2,0,0,0,0|0,0,1]=3 3402 B14R1.807 C[C@@H](O)CC(=O)CC(=O)c1cccs1 1458a_100011933948_100000211436 [0,2,0,0,0,0|0,1,1]=4 3403 B14R1.807 C[S+](C)CC(=O)CC(=O)c1ccco1 1458a_200159257847_100000211439 [0,2,0,0,0,0|1,0,1]=4 3404 B14R1.3242 CCCC(=O)CC(=O)c1cccn1C 1458a_100000211992_200011262399 [0,2,0,0,0,0|1,0,1]=4 3405 B14R1.3242 CCCC(=O)CC(=O)c1sccc1Br 1458a_100000211992_100000740827 [0,2,0,0,0,0|0,1,1]=4 3406 B14R1.3242 CCCN(C)CC(=O)c1cccn1C 2230a_100000747261_200011262399 [0,2,0,0,0,0|2,0,0]=4 3407 B14R1.3242 CCCN(C)CC(=O)c1cccn1C 269982a_100000747261_200011262399 [0,2,0,0,0,0|2,0,0]=4 3408 B14R1.3242 CCCN(C)CC(=O)c1sccc1Br 2230a_100000747261_100000740827 [0,2,0,0,0,0|1,1,0]=4 3409 B14R1.3242 CCCN(C)CC(=O)c1sccc1Br 269982a_100000747261_100000740827 [0,2,0,0,0,0|1,1,0]=4 3410 B14R1.39 CCCCCNC(CC)c1ccco1 2230a_100015202707_100000210326 [0,2,0,0,0,0|1,0,1]=4 3411 B14R1.39 CCCCCNC(CC)c1ccco1 269862a_100000209983_100000749595 [0,2,0,0,0,0|1,0,1]=4 3412 B14R1.39 CCCCCOC(CN)c1ccco1 34a_100000738650_100000718602 [0,2,0,0,0,0|1,0,1]=4 3413 B14R1.39 CCCCNN=C(CC)c1ccco1 4a_100025702795_100000749595 [0,2,0,0,0,0|2,0,0]=4 3414 B14R1.100 C#CCC(C)OCC(=O)c1ccco1 7a_100000685586_100000211439 [0,2,0,0,0,0|0,0,2]=4 3415 B14R1.100 C=CC[C@@H](C)OCC(=O)c1ccco1 7a_100000731007_100000211439 [0,2,0,0,0,0|0,0,2]=4 3416 B14R1.100 CC(CC#N)SCC(=O)c1ccco1 62a_100000211439_100009813641 [0,2,0,0,0,0|1,0,1]=4 3417 B14R1.100 CC(CC#N)SCC(=O)c1ccco1 62a_100009813641_100000211439 [0,2,0,0,0,0|1,0,1]=4 3418 B14R1.100 CC(CCO)SCC(=O)c1ccc[nH]1 62a_100009893172_200011262396 [0,2,0,0,0,0|2,0,0]=4 3419 B14R1.100 CC(CCO)SCC(=O)c1ccc[nH]1 62a_200011262396_100009893172 [0,2,0,0,0,0|2,0,0]=4 3420 B14R1.100 CC(CCO)SCC(=O)c1ccco1 62a_100000211439_100009893172 [0,2,0,0,0,0|1,0,0]=3 3421 B14R1.100 CC(CCO)SCC(=O)c1ccco1 62a_100009893172_100000211439 [0,2,0,0,0,0|1,0,0]=3 3422 B14R1.100 CC(CCO)SCC(=O)c1cccs1 62a_100000211436_100009893172 [0,2,0,0,0,0|1,1,0]=4 3423 B14R1.100 CC(CCO)SCC(=O)c1cccs1 62a_100009893172_100000211436 [0,2,0,0,0,0|1,1,0]=4 3424 B14R1.100 CCCC(=NNC(=O)c1ccco1)C 4a_100000185077_100000211909 [0,2,0,0,0,0|1,0,1]=4 3425 B14R1.100 CCCC(=O)CCC(=O)c1cccs1 1458a_100000211992_100011290775 [0,2,0,0,0,0|0,1,0]=3 3426 B14R1.100 CCCC(=O)CNC(=O)c1ccco1 1458a_200000183647_100000210303 [0,2,0,0,0,0|0,0,1]=3 3427 B14R1.100 CCCC(=O)CNC(=O)c1cccs1 1458a_100000183069_100000210303 [0,2,0,0,0,0|0,1,1]=4 3428 B14R1.100 CCCC(=O)NNC(=O)c1ccco1 22a_100000185077_100000211992 [0,2,0,0,0,0|1,0,1]=4 3429 B14R1.100 CCCC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100011216630 [0,2,0,0,0,0|1,0,1]=4 3430 B14R1.100 CCCC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000243154 [0,2,0,0,0,0|1,0,1]=4 3431 B14R1.100 CCCC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100011216630 [0,2,0,0,0,0|1,0,1]=4 3432 B14R1.100 CCCC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100011216630 [0,2,0,0,0,0|1,0,1]=4 3433 B14R1.100 CCCC(C)NCC(=O)c1cccs1 2230a_100000741246_100000211436 [0,2,0,0,0,0|0,1,0]=3 3434 B14R1.100 CCCC(C)NCC(=O)c1ccsc1 2230a_100000741246_100011219462 [0,2,0,0,0,0|2,0,0]=4 3435 B14R1.100 CCCC(C)NCC(=O)n1cccn1 2230a_100000741246_100000077511 [0,2,0,0,0,0|2,0,0]=4 3436 B14R1.100 CCCC(C)NCC(O)c1ccco1 2230a_100000738650_100000766640 [0,2,0,0,0,0|0,0,2]=4 3437 B14R1.100 CCCC(C)NCC(O)c1ccco1 270004a_100000738650_100000211909 [0,2,0,0,0,0|0,0,2]=4 3438 B14R1.100 CCCC(C)OCC(=O)c1ccc[nH]1 7a_100000764384_200011262396 [0,2,0,0,0,0|1,0,0]=3 3439 B14R1.100 CCCC(C)OCC(=O)c1ccco1 7a_100000764384_100000211439 [0,2,0,0,0,0|0,0,0]=2 3440 B14R1.100 CCCC(C)OCC(=O)c1cccs1 7a_100000764384_100000211436 [0,2,0,0,0,0|0,1,0]=3 3441 B14R1.100 CCCC(C)OCC(=O)c1ccsc1 34a_100000764384_100011219462 [0,2,0,0,0,0|2,0,0]=4 3442 B14R1.100 CCCC(C)OCC(=O)c1ccsc1 7a_100000764384_100011219462 [0,2,0,0,0,0|2,0,0]=4 3443 B14R1.100 CCCC(C)OCC(=O)c1nccs1 7a_100000764384_100000718653 [0,2,0,0,0,0|1,1,0]=4 3444 B14R1.100 CCCC(C)OCC(=O)n1cccn1 7a_100000764384_100000077511 [0,2,0,0,0,0|2,0,0]=4 3445 B14R1.100 CCCC(C)SCC(=O)c1ccc[nH]1 62a_100000766640_200011262396 [0,2,0,0,0,0|1,0,0]=3 3446 B14R1.100 CCCC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000766640 [0,2,0,0,0,0|1,0,0]=3 3447 B14R1.100 CCCC(C)SCC(=O)c1ccco1 62a_100000211439_100000766640 [0,2,0,0,0,0|0,0,0]=2 3448 B14R1.100 CCCC(C)SCC(=O)c1ccco1 62a_100000766640_100000211439 [0,2,0,0,0,0|0,0,0]=2 3449 B14R1.100 CCCC(C)SCC(=O)c1cccs1 62a_100000211436_100000766640 [0,2,0,0,0,0|0,1,0]=3 3450 B14R1.100 CCCC(C)SCC(=O)c1cccs1 62a_100000766640_100000211436 [0,2,0,0,0,0|0,1,0]=3 3451 B14R1.100 CCCC(C)SCC(=O)c1ccsc1 62a_100000766640_100011219462 [0,2,0,0,0,0|2,0,0]=4 3452 B14R1.100 CCCC(C)SCC(=O)c1ccsc1 62a_100011219462_100000766640 [0,2,0,0,0,0|2,0,0]=4 3453 B14R1.100 CCCC(C)SCC(=O)c1nccs1 62a_100000718653_100000766640 [0,2,0,0,0,0|1,1,0]=4 3454 B14R1.100 CCCC(C)SCC(=O)c1nccs1 62a_100000766640_100000718653 [0,2,0,0,0,0|1,1,0]=4 3455 B14R1.100 CCCC(C)SCC(=O)n1cccn1 62a_100000077511_100000766640 [0,2,0,0,0,0|2,0,0]=4 3456 B14R1.100 CCCC(C)SCC(=O)n1cccn1 62a_100000766640_100000077511 [0,2,0,0,0,0|2,0,0]=4 3457 B14R1.100 CCCN(C)CCC(=O)c1cccs1 2230a_100000747261_100011290775 [0,2,0,0,0,0|0,1,0]=3 3458 B14R1.100 CCCN(C)CCC(=O)c1cccs1 269982a_100000747261_100011290775 [0,2,0,0,0,0|0,1,0]=3 3459 B14R1.100 CCNC(=O)CNC(=O)c1ccco1 11a_100015525214_200000183647 [0,2,0,0,0,0|1,0,1]=4 3460 B14R1.100 CCNC(=O)CNC(=O)c1ccco1 240690a_100015525214_200000183647 [0,2,0,0,0,0|1,0,1]=4 3461 B14R1.100 CCNC(=O)CNC(=O)c1ccco1 527a_100015525214_200000183647 [0,2,0,0,0,0|1,0,1]=4 3462 B14R1.100 CN(CCO)CCC(=O)c1cccs1 2230a_100000210263_100011290775 [0,2,0,0,0,0|1,1,0]=4 3463 B14R1.100 CN(CCO)CCC(=O)c1cccs1 269982a_100000210263_100011290775 [0,2,0,0,0,0|1,1,0]=4 3464 B14R1.100 COCC(=O)CCC(=O)c1cccs1 1458a_100000210968_100011290775 [0,2,0,0,0,0|0,1,1]=4 3465 B14R1.100 COCC(C)SCC(=O)c1ccc[nH]1 62a_100000765312_200011262396 [0,2,0,0,0,0|2,0,0]=4 3466 B14R1.100 COCC(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000765312 [0,2,0,0,0,0|2,0,0]=4 3467 B14R1.100 COCC(C)SCC(=O)c1ccco1 62a_100000211439_100000765312 [0,2,0,0,0,0|1,0,0]=3 3468 B14R1.100 COCC(C)SCC(=O)c1ccco1 62a_100000765312_100000211439 [0,2,0,0,0,0|1,0,0]=3 3469 B14R1.100 COCC(C)SCC(=O)c1cccs1 62a_100000211436_100000765312 [0,2,0,0,0,0|1,1,0]=4 3470 B14R1.100 COCC(C)SCC(=O)c1cccs1 62a_100000765312_100000211436 [0,2,0,0,0,0|1,1,0]=4 3471 B14R1.100 COC[C@@H](C)NCC(=O)c1cccs1 2230a_100000764878_100000211436 [0,2,0,0,0,0|1,1,0]=4 3472 B14R1.100 CSCC(=O)CCC(=O)c1cccs1 1458a_100000184570_100011290775 [0,2,0,0,0,0|0,1,1]=4 3473 B14R1.100 C[C@H](CCO)NCC(=O)c1cccs1 2230a_100000706166_100000211436 [0,2,0,0,0,0|1,1,0]=4 3474 B14R1.100 O=C(CCF)CNC(=O)c1ccco1 1458a_200000183647_100011217306 [0,2,0,0,0,0|1,0,1]=4 3475 B14R1.100 O=C(CCO)CCC(=O)c1cccs1 1458a_100011216618_100011290775 [0,2,0,0,0,0|0,1,1]=4 3476 B14R1.100 O=C(CCO)CNC(=O)c1ccco1 1458a_200000183647_100000211926 [0,2,0,0,0,0|1,0,1]=4 3477 B14R1.169 C#CCCCOCC(=O)c1ccc[nH]1 7a_100000215630_200011262396 [0,2,0,0,0,0|1,0,1]=4 3478 B14R1.169 C#CCCCOCC(=O)c1ccco1 7a_100000215630_100000211439 [0,2,0,0,0,0|0,0,1]=3 3479 B14R1.169 C#CCCCOCC(=O)c1cccs1 7a_100000215630_100000211436 [0,2,0,0,0,0|0,1,1]=4 3480 B14R1.169 C#CCCCSCC(=O)c1ccc[nH]1 62a_100011215417_200011262396 [0,2,0,0,0,0|1,0,1]=4 3481 B14R1.169 C#CCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100011215417 [0,2,0,0,0,0|1,0,1]=4 3482 B14R1.169 C#CCCCSCC(=O)c1ccco1 62a_100000211439_100011215417 [0,2,0,0,0,0|0,0,1]=3 3483 B14R1.169 C#CCCCSCC(=O)c1ccco1 62a_100011215417_100000211439 [0,2,0,0,0,0|0,0,1]=3 3484 B14R1.169 C#CCCCSCC(=O)c1cccs1 62a_100000211436_100011215417 [0,2,0,0,0,0|0,1,1]=4 3485 B14R1.169 C#CCCCSCC(=O)c1cccs1 62a_100011215417_100000211436 [0,2,0,0,0,0|0,1,1]=4 3486 B14R1.169 C#CCCSCCC(=O)c1cccs1 62a_100000688953_100011290775 [0,2,0,0,0,0|0,1,1]=4 3487 B14R1.169 C#CCCSCCC(=O)c1cccs1 62a_100011290775_100000688953 [0,2,0,0,0,0|0,1,1]=4 3488 B14R1.169 C/C=C/CSCCC(=O)c1cccs1 62a_100011290775_100102629194 [0,2,0,0,0,0|0,1,1]=4 3489 B14R1.169 C/C=C/CSCCC(=O)c1cccs1 62a_100102629194_100011290775 [0,2,0,0,0,0|0,1,1]=4 3490 B14R1.169 C=CCCCNCC(=O)c1cccs1 2230a_100000700776_100000211436 [0,2,0,0,0,0|0,1,1]=4 3491 B14R1.169 C=CCCCOCC(=O)c1ccc[nH]1 7a_100000758997_200011262396 [0,2,0,0,0,0|1,0,1]=4 3492 B14R1.169 C=CCCCOCC(=O)c1ccco1 7a_100000758997_100000211439 [0,2,0,0,0,0|0,0,1]=3 3493 B14R1.169 C=CCCCOCC(=O)c1cccs1 7a_100000758997_100000211436 [0,2,0,0,0,0|0,1,1]=4 3494 B14R1.169 C=CCCCSCC(=O)c1ccc[nH]1 62a_100011713584_200011262396 [0,2,0,0,0,0|1,0,1]=4 3495 B14R1.169 C=CCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000757094 [0,2,0,0,0,0|1,0,1]=4 3496 B14R1.169 C=CCCCSCC(=O)c1ccco1 62a_100000211439_100000757094 [0,2,0,0,0,0|0,0,1]=3 3497 B14R1.169 C=CCCCSCC(=O)c1ccco1 62a_100011713584_100000211439 [0,2,0,0,0,0|0,0,1]=3 3498 B14R1.169 C=CCCCSCC(=O)c1cccs1 62a_100000211436_100000757094 [0,2,0,0,0,0|0,1,1]=4 3499 B14R1.169 C=CCCCSCC(=O)c1cccs1 62a_100011713584_100000211436 [0,2,0,0,0,0|0,1,1]=4 3500 B14R1.169 C=CCCNCCC(=O)c1cccs1 2230a_100015191253_100011290775 [0,2,0,0,0,0|0,1,1]=4 3501 B14R1.169 C=CCCSCCC(=O)c1cccs1 62a_100000754431_100011290775 [0,2,0,0,0,0|0,1,1]=4 3502 B14R1.169 C=CCCSCCC(=O)c1cccs1 62a_100011290775_100000754431 [0,2,0,0,0,0|0,1,1]=4 3503 B14R1.169 C=COCCSCC(=O)c1ccco1 62a_100000039644_100000211439 [0,2,0,0,0,0|0,0,2]=4 3504 B14R1.169 C=COCCSCC(=O)c1ccco1 62a_100000211439_100000039644 [0,2,0,0,0,0|0,0,2]=4 3505 B14R1.169 CC#CCNCCC(=O)c1cccs1 2230a_100000685387_100011290775 [0,2,0,0,0,0|0,1,1]=4 3506 B14R1.169 CC#CCSCCC(=O)c1cccs1 62a_100000748600_100011290775 [0,2,0,0,0,0|0,1,1]=4 3507 B14R1.169 CC#CCSCCC(=O)c1cccs1 62a_100011290775_100000748600 [0,2,0,0,0,0|0,1,1]=4 3508 B14R1.169 CC/C=C\CSCC(=O)c1ccc[nH]1 62a_100103147603_200011262396 [0,2,0,0,0,0|1,0,1]=4 3509 B14R1.169 CC/C=C\CSCC(=O)c1ccc[nH]1 62a_200011262396_100103147603 [0,2,0,0,0,0|1,0,1]=4 3510 B14R1.169 CC/C=C\CSCC(=O)c1ccco1 62a_100000211439_100103147603 [0,2,0,0,0,0|0,0,1]=3 3511 B14R1.169 CC/C=C\CSCC(=O)c1ccco1 62a_100103147603_100000211439 [0,2,0,0,0,0|0,0,1]=3 3512 B14R1.169 CC/C=C\CSCC(=O)c1cccs1 62a_100000211436_100103147603 [0,2,0,0,0,0|0,1,1]=4 3513 B14R1.169 CC/C=C\CSCC(=O)c1cccs1 62a_100103147603_100000211436 [0,2,0,0,0,0|0,1,1]=4 3514 B14R1.169 CC=CCSCCC(=O)c1cccs1 62a_100000070051_100011290775 [0,2,0,0,0,0|0,1,1]=4 3515 B14R1.169 CC=CCSCCC(=O)c1cccs1 62a_100011290775_100000070051 [0,2,0,0,0,0|0,1,1]=4 3516 B14R1.169 CCC#CCSCC(=O)c1ccc[nH]1 62a_100009813939_200011262396 [0,2,0,0,0,0|1,0,1]=4 3517 B14R1.169 CCC#CCSCC(=O)c1ccc[nH]1 62a_200011262396_100009813939 [0,2,0,0,0,0|1,0,1]=4 3518 B14R1.169 CCC#CCSCC(=O)c1ccco1 62a_100000211439_100009813939 [0,2,0,0,0,0|0,0,1]=3 3519 B14R1.169 CCC#CCSCC(=O)c1ccco1 62a_100009813939_100000211439 [0,2,0,0,0,0|0,0,1]=3 3520 B14R1.169 CCC#CCSCC(=O)c1cccs1 62a_100000211436_100009813939 [0,2,0,0,0,0|0,1,1]=4 3521 B14R1.169 CCC#CCSCC(=O)c1cccs1 62a_100009813939_100000211436 [0,2,0,0,0,0|0,1,1]=4 3522 B14R1.169 CCCCC=NNC(=O)c1ccc[nH]1 4a_100000018271_100000210104 [0,2,0,0,0,0|1,0,1]=4 3523 B14R1.169 CCCCC=NNC(=O)c1ccco1 4a_100000185077_100000210104 [0,2,0,0,0,0|0,0,1]=3 3524 B14R1.169 CCCCC=NNC(=O)c1cccs1 4a_100000184746_100000210104 [0,2,0,0,0,0|0,1,1]=4 3525 B14R1.169 CCCCC=NNC(=O)c1cnco1 4a_100000081316_100000210104 [0,2,0,0,0,0|1,0,1]=4 3526 B14R1.169 CCCCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210314 [0,2,0,0,0,0|1,0,1]=4 3527 B14R1.169 CCCCCCO[C@@H](C)c1ccco1 34a_100000755270_100000210314 [0,2,0,0,0,0|1,0,1]=4 3528 B14R1.169 CCCCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210314 [0,2,0,0,0,0|1,0,1]=4 3529 B14R1.169 CCCCCNCC(=O)c1cccs1 2230a_100000209983_100000211436 [0,2,0,0,0,0|0,1,0]=3 3530 B14R1.169 CCCCCNCC(=O)c1ccsc1 2230a_100000209983_100011219462 [0,2,0,0,0,0|2,0,0]=4 3531 B14R1.169 CCCCCNCC(=O)n1cccn1 2230a_100000209983_100000077511 [0,2,0,0,0,0|2,0,0]=4 3532 B14R1.169 CCCCCNCC(O)c1ccco1 2230a_100000738650_100000210326 [0,2,0,0,0,0|0,0,2]=4 3533 B14R1.169 CCCCCNN=C(C)c1ccc[nH]1 4a_100000694160_100000183661 [0,2,0,0,0,0|2,0,0]=4 3534 B14R1.169 CCCCCNN=C(C)c1ccco1 4a_100000694160_100000210965 [0,2,0,0,0,0|1,0,0]=3 3535 B14R1.169 CCCCCNN=C(C)c1cccs1 4a_100000694160_100000185736 [0,2,0,0,0,0|1,1,0]=4 3536 B14R1.169 CCCCCNN=C(C)c1ccno1 4a_100000694160_100009863766 [0,2,0,0,0,0|2,0,0]=4 3537 B14R1.169 CCCCCOCC(=O)c1ccc[nH]1 7a_100000210253_200011262396 [0,2,0,0,0,0|1,0,0]=3 3538 B14R1.169 CCCCCOCC(=O)c1ccco1 7a_100000210253_100000211439 [0,2,0,0,0,0|0,0,0]=2 3539 B14R1.169 CCCCCOCC(=O)c1cccs1 7a_100000210253_100000211436 [0,2,0,0,0,0|0,1,0]=3 3540 B14R1.169 CCCCCOCC(=O)c1ccsc1 34a_100000210253_100011219462 [0,2,0,0,0,0|2,0,0]=4 3541 B14R1.169 CCCCCOCC(=O)c1ccsc1 7a_100000210253_100011219462 [0,2,0,0,0,0|2,0,0]=4 3542 B14R1.169 CCCCCOCC(=O)c1nccs1 7a_100000210253_100000718653 [0,2,0,0,0,0|1,1,0]=4 3543 B14R1.169 CCCCCOCC(=O)n1cccn1 7a_100000210253_100000077511 [0,2,0,0,0,0|2,0,0]=4 3544 B14R1.169 CCCCCSCC(=O)c1ccc[nH]1 62a_100000210326_200011262396 [0,2,0,0,0,0|1,0,0]=3 3545 B14R1.169 CCCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210326 [0,2,0,0,0,0|1,0,0]=3 3546 B14R1.169 CCCCCSCC(=O)c1ccco1 62a_100000210326_100000211439 [0,2,0,0,0,0|0,0,0]=2 3547 B14R1.169 CCCCCSCC(=O)c1ccco1 62a_100000211439_100000210326 [0,2,0,0,0,0|0,0,0]=2 3548 B14R1.169 CCCCCSCC(=O)c1cccs1 62a_100000210326_100000211436 [0,2,0,0,0,0|0,1,0]=3 3549 B14R1.169 CCCCCSCC(=O)c1cccs1 62a_100000211436_100000210326 [0,2,0,0,0,0|0,1,0]=3 3550 B14R1.169 CCCCCSCC(=O)c1ccsc1 62a_100000210326_100011219462 [0,2,0,0,0,0|2,0,0]=4 3551 B14R1.169 CCCCCSCC(=O)c1ccsc1 62a_100011219462_100000210326 [0,2,0,0,0,0|2,0,0]=4 3552 B14R1.169 CCCCCSCC(=O)c1nccs1 62a_100000210326_100000718653 [0,2,0,0,0,0|1,1,0]=4 3553 B14R1.169 CCCCCSCC(=O)c1nccs1 62a_100000718653_100000210326 [0,2,0,0,0,0|1,1,0]=4 3554 B14R1.169 CCCCCSCC(=O)n1cccn1 62a_100000077511_100000210326 [0,2,0,0,0,0|2,0,0]=4 3555 B14R1.169 CCCCCSCC(=O)n1cccn1 62a_100000210326_100000077511 [0,2,0,0,0,0|2,0,0]=4 3556 B14R1.169 CCCCNCCC(=O)c1cccs1 2230a_100000102301_100011290775 [0,2,0,0,0,0|0,1,0]=3 3557 B14R1.169 CCCCNCCC(=O)c1cccs1 7a_106832991798_100011290775 [0,2,0,0,0,0|0,1,0]=3 3558 B14R1.169 CCCCOCCC(=O)c1cccs1 7a_100000210227_100011290775 [0,2,0,0,0,0|0,1,0]=3 3559 B14R1.169 CCCCOCN[C@H](C)c1ccco1 2230a_100160469435_100011995733 [0,2,0,0,0,0|1,0,1]=4 3560 B14R1.169 CCCCOCO[C@@H](C)c1ccco1 34a_100000755270_100011995733 [0,2,0,0,0,0|1,0,1]=4 3561 B14R1.169 CCCCSCCC(=O)c1cccs1 62a_100000210211_100011290775 [0,2,0,0,0,0|0,1,0]=3 3562 B14R1.169 CCCCSCCC(=O)c1cccs1 62a_100011290775_100000210210 [0,2,0,0,0,0|0,1,0]=3 3563 B14R1.169 CCCOCCN[C@H](C)c1ccco1 2230a_100160469435_100011215938 [0,2,0,0,0,0|1,0,1]=4 3564 B14R1.169 CCCOCCO[C@@H](C)c1ccco1 34a_100000755270_100011215938 [0,2,0,0,0,0|1,0,1]=4 3565 B14R1.169 CCCOCCO[C@@H](C)c1ccco1 7a_100000755270_100011215938 [0,2,0,0,0,0|1,0,1]=4 3566 B14R1.169 CCCSCCNC(=O)n1cccn1 62a_100000070358_100000210303 [0,2,0,0,0,0|2,0,0]=4 3567 B14R1.169 CCCSCCNC(=O)n1cccn1 62a_100000210303_100000070358 [0,2,0,0,0,0|2,0,0]=4 3568 B14R1.169 CCNCCCNC(=O)c1ccco1 34a_100025751042_100000210202 [0,2,0,0,0,0|0,0,0]=2 3569 B14R1.169 CCOCCCN[C@H](C)c1ccco1 2230a_100160469435_100012232248 [0,2,0,0,0,0|1,0,1]=4 3570 B14R1.169 CCOCCCO[C@@H](C)c1ccco1 34a_100000755270_100012232248 [0,2,0,0,0,0|1,0,1]=4 3571 B14R1.169 CCOCCCO[C@@H](C)c1ccco1 7a_100000755270_100012232248 [0,2,0,0,0,0|1,0,1]=4 3572 B14R1.169 CCOCCNCC(=O)c1cccs1 2230a_102516460346_100000211436 [0,2,0,0,0,0|0,1,0]=3 3573 B14R1.169 CCOCCNCC(=O)c1ccsc1 2230a_102516460346_100011219462 [0,2,0,0,0,0|2,0,0]=4 3574 B14R1.169 CCOCCNCC(=O)c1ccsc1 34a_102516460346_100011219462 [0,2,0,0,0,0|2,0,0]=4 3575 B14R1.169 CCOCCNCC(=O)n1cccn1 2230a_102516460346_100000077511 [0,2,0,0,0,0|2,0,0]=4 3576 B14R1.169 CCOCCNCC(O)c1ccco1 2230a_100000738650_100011215890 [0,2,0,0,0,0|0,0,2]=4 3577 B14R1.169 CCOCCNN=C(C)c1ccco1 4a_100000732670_100000210965 [0,2,0,0,0,0|2,0,0]=4 3578 B14R1.169 CCOCCOCC(=O)c1ccc[nH]1 7a_100000210136_200011262396 [0,2,0,0,0,0|1,0,0]=3 3579 B14R1.169 CCOCCOCC(=O)c1ccco1 7a_100000210136_100000211439 [0,2,0,0,0,0|0,0,0]=2 3580 B14R1.169 CCOCCOCC(=O)c1cccs1 7a_100000210136_100000211436 [0,2,0,0,0,0|0,1,0]=3 3581 B14R1.169 CCOCCOCC(=O)c1ccsc1 34a_100000210136_100011219462 [0,2,0,0,0,0|2,0,0]=4 3582 B14R1.169 CCOCCOCC(=O)c1ccsc1 7a_100000210136_100011219462 [0,2,0,0,0,0|2,0,0]=4 3583 B14R1.169 CCOCCOCC(=O)c1nccs1 7a_100000210136_100000718653 [0,2,0,0,0,0|1,1,0]=4 3584 B14R1.169 CCOCCOCC(=O)n1cccn1 7a_100000210136_100000077511 [0,2,0,0,0,0|2,0,0]=4 3585 B14R1.169 CCOCCSCC(=O)c1ccc[nH]1 62a_100000210147_200011262396 [0,2,0,0,0,0|1,0,0]=3 3586 B14R1.169 CCOCCSCC(=O)c1ccc[nH]1 62a_200011262396_100011215890 [0,2,0,0,0,0|1,0,0]=3 3587 B14R1.169 CCOCCSCC(=O)c1ccco1 62a_100000210147_100000211439 [0,2,0,0,0,0|0,0,0]=2 3588 B14R1.169 CCOCCSCC(=O)c1ccco1 62a_100000211439_100011215890 [0,2,0,0,0,0|0,0,0]=2 3589 B14R1.169 CCOCCSCC(=O)c1cccs1 62a_100000210147_100000211436 [0,2,0,0,0,0|0,1,0]=3 3590 B14R1.169 CCOCCSCC(=O)c1cccs1 62a_100000211436_100011215890 [0,2,0,0,0,0|0,1,0]=3 3591 B14R1.169 CCOCCSCC(=O)c1ccsc1 62a_100000210147_100011219462 [0,2,0,0,0,0|2,0,0]=4 3592 B14R1.169 CCOCCSCC(=O)c1ccsc1 62a_100011219462_100011215890 [0,2,0,0,0,0|2,0,0]=4 3593 B14R1.169 CCOCCSCC(=O)c1nccs1 62a_100000210147_100000718653 [0,2,0,0,0,0|1,1,0]=4 3594 B14R1.169 CCOCCSCC(=O)c1nccs1 62a_100000718653_100011215890 [0,2,0,0,0,0|1,1,0]=4 3595 B14R1.169 CCOCCSCC(=O)n1cccn1 62a_100000077511_100011215890 [0,2,0,0,0,0|2,0,0]=4 3596 B14R1.169 CCOCCSCC(=O)n1cccn1 62a_100000210147_100000077511 [0,2,0,0,0,0|2,0,0]=4 3597 B14R1.169 CCOCSCCC(=O)c1cccs1 62a_100000739092_100011290775 [0,2,0,0,0,0|0,1,0]=3 3598 B14R1.169 CCOCSCCC(=O)c1cccs1 62a_100011290775_100000739092 [0,2,0,0,0,0|0,1,0]=3 3599 B14R1.169 CCSCCNCC(=O)c1cccs1 2230a_100000106463_100000211436 [0,2,0,0,0,0|0,1,0]=3 3600 B14R1.169 CCSCCNCC(=O)c1ccsc1 2230a_100000106463_100011219462 [0,2,0,0,0,0|2,0,0]=4 3601 B14R1.169 CCSCCNCC(=O)n1cccn1 2230a_100000106463_100000077511 [0,2,0,0,0,0|2,0,0]=4 3602 B14R1.169 CCSCCNCC(O)c1ccco1 2230a_100000738650_100000757381 [0,2,0,0,0,0|0,0,2]=4 3603 B14R1.169 CCSCCOCC(=O)c1ccc[nH]1 7a_100000212035_200011262396 [0,2,0,0,0,0|1,0,0]=3 3604 B14R1.169 CCSCCOCC(=O)c1ccco1 7a_100000212035_100000211439 [0,2,0,0,0,0|0,0,0]=2 3605 B14R1.169 CCSCCOCC(=O)c1cccs1 7a_100000212035_100000211436 [0,2,0,0,0,0|0,1,0]=3 3606 B14R1.169 CCSCCOCC(=O)c1ccsc1 34a_100000212035_100011219462 [0,2,0,0,0,0|2,0,0]=4 3607 B14R1.169 CCSCCOCC(=O)c1ccsc1 7a_100000212035_100011219462 [0,2,0,0,0,0|2,0,0]=4 3608 B14R1.169 CCSCCOCC(=O)c1nccs1 7a_100000212035_100000718653 [0,2,0,0,0,0|1,1,0]=4 3609 B14R1.169 CCSCCOCC(=O)n1cccn1 7a_100000212035_100000077511 [0,2,0,0,0,0|2,0,0]=4 3610 B14R1.169 CCSCCSCC(=O)c1ccc[nH]1 62a_100000757381_200011262396 [0,2,0,0,0,0|1,0,0]=3 3611 B14R1.169 CCSCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000757381 [0,2,0,0,0,0|1,0,0]=3 3612 B14R1.169 CCSCCSCC(=O)c1ccco1 62a_100000211439_100000757381 [0,2,0,0,0,0|0,0,0]=2 3613 B14R1.169 CCSCCSCC(=O)c1ccco1 62a_100000757381_100000211439 [0,2,0,0,0,0|0,0,0]=2 3614 B14R1.169 CCSCCSCC(=O)c1cccs1 62a_100000211436_100000757381 [0,2,0,0,0,0|0,1,0]=3 3615 B14R1.169 CCSCCSCC(=O)c1cccs1 62a_100000757381_100000211436 [0,2,0,0,0,0|0,1,0]=3 3616 B14R1.169 CCSCCSCC(=O)c1ccsc1 62a_100000757381_100011219462 [0,2,0,0,0,0|2,0,0]=4 3617 B14R1.169 CCSCCSCC(=O)c1ccsc1 62a_100011219462_100000757381 [0,2,0,0,0,0|2,0,0]=4 3618 B14R1.169 CCSCCSCC(=O)c1nccs1 62a_100000718653_100000757381 [0,2,0,0,0,0|1,1,0]=4 3619 B14R1.169 CCSCCSCC(=O)c1nccs1 62a_100000757381_100000718653 [0,2,0,0,0,0|1,1,0]=4 3620 B14R1.169 CCSCCSCC(=O)n1cccn1 62a_100000077511_100000757381 [0,2,0,0,0,0|2,0,0]=4 3621 B14R1.169 CCSCCSCC(=O)n1cccn1 62a_100000757381_100000077511 [0,2,0,0,0,0|2,0,0]=4 3622 B14R1.169 CNCCCOCC(=O)c1ccsc1 34a_100000213112_100011219462 [0,2,0,0,0,0|2,0,0]=4 3623 B14R1.169 COCCCCN[C@H](C)c1ccco1 2230a_100160469435_100000730899 [0,2,0,0,0,0|1,0,1]=4 3624 B14R1.169 COCCCCO[C@@H](C)c1ccco1 34a_100000755270_100000755781 [0,2,0,0,0,0|1,0,1]=4 3625 B14R1.169 COCCCCO[C@@H](C)c1ccco1 7a_100000755270_100000730899 [0,2,0,0,0,0|1,0,1]=4 3626 B14R1.169 COCCCNCC(=O)c1ccsc1 34a_100150723488_100011219462 [0,2,0,0,0,0|2,0,0]=4 3627 B14R1.169 COCCCNCC(O)c1ccco1 2230a_100000738650_100000740836 [0,2,0,0,0,0|0,0,2]=4 3628 B14R1.169 COCCCOCC(=O)c1ccsc1 34a_100000740835_100011219462 [0,2,0,0,0,0|2,0,0]=4 3629 B14R1.169 COCCCSCC(=O)c1ccc[nH]1 62a_100000709357_200011262396 [0,2,0,0,0,0|1,0,0]=3 3630 B14R1.169 COCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000709357 [0,2,0,0,0,0|1,0,0]=3 3631 B14R1.169 COCCCSCC(=O)c1ccco1 62a_100000211439_100000709357 [0,2,0,0,0,0|0,0,0]=2 3632 B14R1.169 COCCCSCC(=O)c1ccco1 62a_100000709357_100000211439 [0,2,0,0,0,0|0,0,0]=2 3633 B14R1.169 COCCCSCC(=O)c1cccs1 62a_100000211436_100000709357 [0,2,0,0,0,0|0,1,0]=3 3634 B14R1.169 COCCCSCC(=O)c1cccs1 62a_100000709357_100000211436 [0,2,0,0,0,0|0,1,0]=3 3635 B14R1.169 COCCCSCC(=O)c1ccsc1 62a_100000709357_100011219462 [0,2,0,0,0,0|2,0,0]=4 3636 B14R1.169 COCCCSCC(=O)c1ccsc1 62a_100011219462_100000709357 [0,2,0,0,0,0|2,0,0]=4 3637 B14R1.169 COCCCSCC(=O)c1nccs1 62a_100000709357_100000718653 [0,2,0,0,0,0|1,1,0]=4 3638 B14R1.169 COCCCSCC(=O)c1nccs1 62a_100000718653_100000709357 [0,2,0,0,0,0|1,1,0]=4 3639 B14R1.169 COCCCSCC(=O)n1cccn1 62a_100000077511_100000709357 [0,2,0,0,0,0|2,0,0]=4 3640 B14R1.169 COCCCSCC(=O)n1cccn1 62a_100000709357_100000077511 [0,2,0,0,0,0|2,0,0]=4 3641 B14R1.169 COCCNCCC(=O)c1cccs1 2230a_100000209980_100011290775 [0,2,0,0,0,0|0,1,0]=3 3642 B14R1.169 COCCSCCC(=O)c1cccs1 62a_100000233755_100011290775 [0,2,0,0,0,0|0,1,0]=3 3643 B14R1.169 COCCSCCC(=O)c1cccs1 62a_100011290775_100000233755 [0,2,0,0,0,0|0,1,0]=3 3644 B14R1.169 CSCCC=NNC(=O)c1ccco1 4a_100000185077_100000210997 [0,2,0,0,0,0|1,0,1]=4 3645 B14R1.169 CSCCCNCC(=O)c1cccs1 2230a_100000749238_100000211436 [0,2,0,0,0,0|0,1,0]=3 3646 B14R1.169 CSCCCNCC(=O)c1ccsc1 2230a_100000749238_100011219462 [0,2,0,0,0,0|2,0,0]=4 3647 B14R1.169 CSCCCNCC(=O)n1cccn1 2230a_100000749238_100000077511 [0,2,0,0,0,0|2,0,0]=4 3648 B14R1.169 CSCCCOCC(=O)c1ccc[nH]1 7a_100000690336_200011262396 [0,2,0,0,0,0|1,0,0]=3 3649 B14R1.169 CSCCCOCC(=O)c1ccco1 7a_100000690336_100000211439 [0,2,0,0,0,0|0,0,0]=2 3650 B14R1.169 CSCCCOCC(=O)c1cccs1 7a_100000690336_100000211436 [0,2,0,0,0,0|0,1,0]=3 3651 B14R1.169 CSCCCOCC(=O)c1ccsc1 34a_100000690336_100011219462 [0,2,0,0,0,0|2,0,0]=4 3652 B14R1.169 CSCCCOCC(=O)c1ccsc1 7a_100000690336_100011219462 [0,2,0,0,0,0|2,0,0]=4 3653 B14R1.169 CSCCCOCC(=O)c1nccs1 7a_100000690336_100000718653 [0,2,0,0,0,0|1,1,0]=4 3654 B14R1.169 CSCCCOCC(=O)n1cccn1 7a_100000690336_100000077511 [0,2,0,0,0,0|2,0,0]=4 3655 B14R1.169 CSCCNCCC(=O)c1cccs1 2230a_100020590264_100011290775 [0,2,0,0,0,0|0,1,0]=3 3656 B14R1.169 CSCCOCCC(=O)c1cccs1 7a_100000230434_100011290775 [0,2,0,0,0,0|0,1,0]=3 3657 B14R1.169 CSCCSCCC(=O)c1cccs1 62a_100000212216_100011290775 [0,2,0,0,0,0|0,1,0]=3 3658 B14R1.169 CSCCSCCC(=O)c1cccs1 62a_100011290775_100000751147 [0,2,0,0,0,0|0,1,0]=3 3659 B14R1.169 C[C@@H](NCCCCCF)c1ccco1 2230a_100160469435_100000729378 [0,2,0,0,0,0|1,0,1]=4 3660 B14R1.169 C[C@@H](NCCCCCO)c1ccco1 2230a_100160469435_100000746330 [0,2,0,0,0,0|1,0,1]=4 3661 B14R1.169 C[C@H](OCCCCCF)c1ccco1 34a_100000755270_100000729378 [0,2,0,0,0,0|1,0,1]=4 3662 B14R1.169 C[C@H](OCCCCCF)c1ccco1 7a_100000755270_100000729378 [0,2,0,0,0,0|1,0,1]=4 3663 B14R1.169 C[C@H](OCCCCCO)c1ccco1 34a_100000755270_100000746330 [0,2,0,0,0,0|1,0,1]=4 3664 B14R1.169 C[C@H](OCCCCCO)c1ccco1 7a_100000755270_100000746330 [0,2,0,0,0,0|1,0,1]=4 3665 B14R1.169 N#CCCCSCC(=O)c1ccc[nH]1 62a_100000687738_200011262396 [0,2,0,0,0,0|1,0,1]=4 3666 B14R1.169 N#CCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000687738 [0,2,0,0,0,0|1,0,1]=4 3667 B14R1.169 N#CCCCSCC(=O)c1ccco1 62a_100000211439_100000687738 [0,2,0,0,0,0|0,0,1]=3 3668 B14R1.169 N#CCCCSCC(=O)c1ccco1 62a_100000687738_100000211439 [0,2,0,0,0,0|0,0,1]=3 3669 B14R1.169 N#CCCCSCC(=O)c1cccs1 62a_100000211436_100000687738 [0,2,0,0,0,0|0,1,1]=4 3670 B14R1.169 N#CCCCSCC(=O)c1cccs1 62a_100000687738_100000211436 [0,2,0,0,0,0|0,1,1]=4 3671 B14R1.169 N#CCCSCCC(=O)c1cccs1 62a_100011215226_100011290775 [0,2,0,0,0,0|0,1,1]=4 3672 B14R1.169 N#CCCSCCC(=O)c1cccs1 62a_100011290775_100011215226 [0,2,0,0,0,0|0,1,1]=4 3673 B14R1.169 N#CSCCSCC(=O)c1ccco1 62a_100000034367_100000211439 [0,2,0,0,0,0|1,0,1]=4 3674 B14R1.169 N#CSCCSCC(=O)c1ccco1 62a_100000211439_100000034367 [0,2,0,0,0,0|1,0,1]=4 3675 B14R1.169 NCCCCOCC(=O)c1ccsc1 34a_100000750430_100011219462 [0,2,0,0,0,0|2,0,0]=4 3676 B14R1.169 O=C(CCNCCCF)c1cccs1 2230a_100015189416_100011290775 [0,2,0,0,0,0|0,1,0]=3 3677 B14R1.169 O=C(CCSCCCF)c1cccs1 62a_100011290775_100011934791 [0,2,0,0,0,0|0,1,0]=3 3678 B14R1.169 O=C(CCSCCCF)c1cccs1 62a_100011934791_100011290775 [0,2,0,0,0,0|0,1,0]=3 3679 B14R1.169 O=C(CCSCCCO)c1cccs1 62a_100011215043_100011290775 [0,2,0,0,0,0|0,1,0]=3 3680 B14R1.169 O=C(CCSCCCO)c1cccs1 62a_100011290775_100011215043 [0,2,0,0,0,0|0,1,0]=3 3681 B14R1.169 O=C(CNCCCCO)c1cccs1 2230a_100000750430_100000211436 [0,2,0,0,0,0|0,1,0]=3 3682 B14R1.169 O=C(CNCCCCO)c1ccsc1 2230a_100000750430_100011219462 [0,2,0,0,0,0|2,0,0]=4 3683 B14R1.169 O=C(CNCCCCO)c1ccsc1 34a_100000750430_100011219462 [0,2,0,0,0,0|2,0,0]=4 3684 B14R1.169 O=C(CNCCCCO)n1cccn1 2230a_100000750430_100000077511 [0,2,0,0,0,0|2,0,0]=4 3685 B14R1.169 O=C(COCCCCBr)c1ccsc1 34a_100011216708_100011219462 [0,2,0,0,0,0|2,0,0]=4 3686 B14R1.169 O=C(COCCCCCl)c1ccc[nH]1 7a_100000210776_200011262396 [0,2,0,0,0,0|1,0,0]=3 3687 B14R1.169 O=C(COCCCCCl)c1ccco1 7a_100000210776_100000211439 [0,2,0,0,0,0|0,0,0]=2 3688 B14R1.169 O=C(COCCCCCl)c1cccs1 7a_100000210776_100000211436 [0,2,0,0,0,0|0,1,0]=3 3689 B14R1.169 O=C(COCCCCCl)c1ccsc1 34a_100000210776_100011219462 [0,2,0,0,0,0|2,0,0]=4 3690 B14R1.169 O=C(COCCCCCl)c1ccsc1 7a_100000210776_100011219462 [0,2,0,0,0,0|2,0,0]=4 3691 B14R1.169 O=C(COCCCCCl)c1nccs1 7a_100000210776_100000718653 [0,2,0,0,0,0|1,1,0]=4 3692 B14R1.169 O=C(COCCCCCl)n1cccn1 7a_100000210776_100000077511 [0,2,0,0,0,0|2,0,0]=4 3693 B14R1.169 O=C(COCCCCF)c1ccc[nH]1 7a_100011995726_200011262396 [0,2,0,0,0,0|1,0,0]=3 3694 B14R1.169 O=C(COCCCCF)c1ccco1 7a_100011995726_100000211439 [0,2,0,0,0,0|0,0,0]=2 3695 B14R1.169 O=C(COCCCCF)c1cccs1 7a_100011995726_100000211436 [0,2,0,0,0,0|0,1,0]=3 3696 B14R1.169 O=C(COCCCCF)c1ccsc1 34a_100011995726_100011219462 [0,2,0,0,0,0|2,0,0]=4 3697 B14R1.169 O=C(COCCCCF)c1ccsc1 7a_100011995726_100011219462 [0,2,0,0,0,0|2,0,0]=4 3698 B14R1.169 O=C(COCCCCF)c1nccs1 7a_100011995726_100000718653 [0,2,0,0,0,0|1,1,0]=4 3699 B14R1.169 O=C(COCCCCF)n1cccn1 7a_100011995726_100000077511 [0,2,0,0,0,0|2,0,0]=4 3700 B14R1.169 O=C(COCCCCI)c1ccsc1 34a_200012148704_100011219462 [0,2,0,0,0,0|2,0,0]=4 3701 B14R1.169 O=C(CSCC#CCO)c1ccco1 62a_100000211439_200000047223 [0,2,0,0,0,0|0,0,2]=4 3702 B14R1.169 O=C(CSCC#CCO)c1ccco1 62a_200000047223_100000211439 [0,2,0,0,0,0|0,0,2]=4 3703 B14R1.169 O=C(CSCCCCF)c1ccc[nH]1 62a_100000729493_200011262396 [0,2,0,0,0,0|1,0,0]=3 3704 B14R1.169 O=C(CSCCCCF)c1ccc[nH]1 62a_200011262396_100000729493 [0,2,0,0,0,0|1,0,0]=3 3705 B14R1.169 O=C(CSCCCCF)c1ccco1 62a_100000211439_100000729493 [0,2,0,0,0,0|0,0,0]=2 3706 B14R1.169 O=C(CSCCCCF)c1ccco1 62a_100000729493_100000211439 [0,2,0,0,0,0|0,0,0]=2 3707 B14R1.169 O=C(CSCCCCF)c1cccs1 62a_100000211436_100000729493 [0,2,0,0,0,0|0,1,0]=3 3708 B14R1.169 O=C(CSCCCCF)c1cccs1 62a_100000729493_100000211436 [0,2,0,0,0,0|0,1,0]=3 3709 B14R1.169 O=C(CSCCCCF)c1ccsc1 62a_100000729493_100011219462 [0,2,0,0,0,0|2,0,0]=4 3710 B14R1.169 O=C(CSCCCCF)c1ccsc1 62a_100011219462_100000729493 [0,2,0,0,0,0|2,0,0]=4 3711 B14R1.169 O=C(CSCCCCF)c1nccs1 62a_100000718653_100000729493 [0,2,0,0,0,0|1,1,0]=4 3712 B14R1.169 O=C(CSCCCCF)c1nccs1 62a_100000729493_100000718653 [0,2,0,0,0,0|1,1,0]=4 3713 B14R1.169 O=C(CSCCCCF)n1cccn1 62a_100000077511_100000729493 [0,2,0,0,0,0|2,0,0]=4 3714 B14R1.169 O=C(CSCCCCF)n1cccn1 62a_100000729493_100000077511 [0,2,0,0,0,0|2,0,0]=4 3715 B14R1.169 O=C(CSCCCCO)c1ccc[nH]1 62a_100000210776_200011262396 [0,2,0,0,0,0|1,0,0]=3 3716 B14R1.169 O=C(CSCCCCO)c1ccc[nH]1 62a_200011262396_100000210776 [0,2,0,0,0,0|1,0,0]=3 3717 B14R1.169 O=C(CSCCCCO)c1ccco1 62a_100000210776_100000211439 [0,2,0,0,0,0|0,0,0]=2 3718 B14R1.169 O=C(CSCCCCO)c1ccco1 62a_100000211439_100000210776 [0,2,0,0,0,0|0,0,0]=2 3719 B14R1.169 O=C(CSCCCCO)c1cccs1 62a_100000210776_100000211436 [0,2,0,0,0,0|0,1,0]=3 3720 B14R1.169 O=C(CSCCCCO)c1cccs1 62a_100000211436_100000210776 [0,2,0,0,0,0|0,1,0]=3 3721 B14R1.169 O=C(CSCCCCO)c1ccsc1 62a_100000210776_100011219462 [0,2,0,0,0,0|2,0,0]=4 3722 B14R1.169 O=C(CSCCCCO)c1ccsc1 62a_100011219462_100000210776 [0,2,0,0,0,0|2,0,0]=4 3723 B14R1.169 O=C(CSCCCCO)c1nccs1 62a_100000210776_100000718653 [0,2,0,0,0,0|1,1,0]=4 3724 B14R1.169 O=C(CSCCCCO)c1nccs1 62a_100000718653_100000210776 [0,2,0,0,0,0|1,1,0]=4 3725 B14R1.169 O=C(CSCCCCO)n1cccn1 62a_100000077511_100000210776 [0,2,0,0,0,0|2,0,0]=4 3726 B14R1.169 O=C(CSCCCCO)n1cccn1 62a_100000210776_100000077511 [0,2,0,0,0,0|2,0,0]=4 3727 B14R1.169 O=C(NCCCNCF)c1ccco1 34a_100025751042_100015361967 [0,2,0,0,0,0|1,0,0]=3 3728 B14R1.169 O=CCCCSCC(=O)c1ccc[nH]1 62a_200011262396_200011292268 [0,2,0,0,0,0|1,0,1]=4 3729 B14R1.169 O=CCCCSCC(=O)c1ccc[nH]1 62a_200011292268_200011262396 [0,2,0,0,0,0|1,0,1]=4 3730 B14R1.169 O=CCCCSCC(=O)c1ccco1 62a_100000211439_200011292268 [0,2,0,0,0,0|0,0,1]=3 3731 B14R1.169 O=CCCCSCC(=O)c1ccco1 62a_200011292268_100000211439 [0,2,0,0,0,0|0,0,1]=3 3732 B14R1.169 O=CCCCSCC(=O)c1cccs1 62a_100000211436_200011292268 [0,2,0,0,0,0|0,1,1]=4 3733 B14R1.169 O=CCCCSCC(=O)c1cccs1 62a_200011292268_100000211436 [0,2,0,0,0,0|0,1,1]=4 3734 B14R1.169 OC(CNCCCCF)c1ccco1 2230a_100000738650_100000729493 [0,2,0,0,0,0|0,0,2]=4 3735 B14R1.169 OCCCCNCC(O)c1ccco1 2230a_100000738650_100000210776 [0,2,0,0,0,0|0,0,2]=4 3736 B14R1.418 C=C(C)CCSCC(=O)c1ccc[nH]1 62a_100000730704_200011262396 [0,2,0,0,0,0|1,0,1]=4 3737 B14R1.418 C=C(C)CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000730704 [0,2,0,0,0,0|1,0,1]=4 3738 B14R1.418 C=C(C)CCSCC(=O)c1ccco1 62a_100000211439_100000730704 [0,2,0,0,0,0|0,0,1]=3 3739 B14R1.418 C=C(C)CCSCC(=O)c1ccco1 62a_100000730704_100000211439 [0,2,0,0,0,0|0,0,1]=3 3740 B14R1.418 C=C(C)CCSCC(=O)c1cccs1 62a_100000211436_100000730704 [0,2,0,0,0,0|0,1,1]=4 3741 B14R1.418 C=C(C)CCSCC(=O)c1cccs1 62a_100000730704_100000211436 [0,2,0,0,0,0|0,1,1]=4 3742 B14R1.418 C=C(C)CSCCC(=O)c1cccs1 62a_100000748629_100011290775 [0,2,0,0,0,0|0,1,1]=4 3743 B14R1.418 C=C(C)CSCCC(=O)c1cccs1 62a_100011290775_100000211660 [0,2,0,0,0,0|0,1,1]=4 3744 B14R1.418 CC(=CCSCC(=O)c1ccco1)C 62a_100000211439_100000761012 [0,2,0,0,0,0|0,0,2]=4 3745 B14R1.418 CC(=CCSCC(=O)c1ccco1)C 62a_100000761012_100000211439 [0,2,0,0,0,0|0,0,2]=4 3746 B14R1.418 CC(=O)CCCNC(=O)c1ccco1 1458a_100000194748_200000210301 [0,2,0,0,0,0|0,0,1]=3 3747 B14R1.418 CC(=O)CCCNC(=O)c1cccs1 1458a_100000194764_200000210301 [0,2,0,0,0,0|0,1,1]=4 3748 B14R1.418 CC(=O)CCOCC(=O)c1ccc[nH]1 7a_100000759926_200011262396 [0,2,0,0,0,0|1,0,1]=4 3749 B14R1.418 CC(=O)CCOCC(=O)c1ccco1 7a_100000759926_100000211439 [0,2,0,0,0,0|0,0,1]=3 3750 B14R1.418 CC(=O)CCOCC(=O)c1cccs1 7a_100000759926_100000211436 [0,2,0,0,0,0|0,1,1]=4 3751 B14R1.418 CC(=O)CCSCC(=O)c1ccc[nH]1 62a_100000053229_200011262396 [0,2,0,0,0,0|1,0,1]=4 3752 B14R1.418 CC(=O)CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000053229 [0,2,0,0,0,0|1,0,1]=4 3753 B14R1.418 CC(=O)CCSCC(=O)c1ccco1 62a_100000053229_100000211439 [0,2,0,0,0,0|0,0,1]=3 3754 B14R1.418 CC(=O)CCSCC(=O)c1ccco1 62a_100000211439_100000053229 [0,2,0,0,0,0|0,0,1]=3 3755 B14R1.418 CC(=O)CCSCC(=O)c1cccs1 62a_100000053229_100000211436 [0,2,0,0,0,0|0,1,1]=4 3756 B14R1.418 CC(=O)CCSCC(=O)c1cccs1 62a_100000211436_100000053229 [0,2,0,0,0,0|0,1,1]=4 3757 B14R1.418 CC(=O)OCSCC(=O)c1ccco1 62a_100000076356_100000211439 [0,2,0,0,0,0|1,0,1]=4 3758 B14R1.418 CC(=O)OCSCC(=O)c1ccco1 62a_100000211439_100000076356 [0,2,0,0,0,0|1,0,1]=4 3759 B14R1.418 CC(Br)CCOCC(=O)c1ccsc1 34a_100009893172_100011219462 [0,2,0,0,0,0|2,0,0]=4 3760 B14R1.418 CC(C)CC=NNC(=O)c1ccco1 4a_100000185077_100000185833 [0,2,0,0,0,0|1,0,1]=4 3761 B14R1.418 CC(C)CCCN[C@H](C)c1ccco1 2230a_100160469435_100011214892 [0,2,0,0,0,0|1,0,1]=4 3762 B14R1.418 CC(C)CCCO[C@@H](C)c1ccco1 34a_100000755270_100011214892 [0,2,0,0,0,0|1,0,1]=4 3763 B14R1.418 CC(C)CCCO[C@@H](C)c1ccco1 7a_100000755270_100011214892 [0,2,0,0,0,0|1,0,1]=4 3764 B14R1.418 CC(C)CCNCC(O)c1ccco1 2230a_100000738650_100000210312 [0,2,0,0,0,0|0,0,2]=4 3765 B14R1.418 CC(C)CCNCC(O)c1ccco1 269862a_100000738650_100000185833 [0,2,0,0,0,0|0,0,2]=4 3766 B14R1.418 CC(C)CCOCC(=O)c1ccc[nH]1 7a_100000210254_200011262396 [0,2,0,0,0,0|1,0,0]=3 3767 B14R1.418 CC(C)CCOCC(=O)c1ccco1 7a_100000210254_100000211439 [0,2,0,0,0,0|0,0,0]=2 3768 B14R1.418 CC(C)CCOCC(=O)c1cccs1 7a_100000210254_100000211436 [0,2,0,0,0,0|0,1,0]=3 3769 B14R1.418 CC(C)CCOCC(=O)c1ccsc1 34a_100000210254_100011219462 [0,2,0,0,0,0|2,0,0]=4 3770 B14R1.418 CC(C)CCOCC(=O)c1ccsc1 7a_100000210254_100011219462 [0,2,0,0,0,0|2,0,0]=4 3771 B14R1.418 CC(C)CCOCC(=O)c1nccs1 7a_100000210254_100000718653 [0,2,0,0,0,0|1,1,0]=4 3772 B14R1.418 CC(C)CCOCC(=O)n1cccn1 7a_100000210254_100000077511 [0,2,0,0,0,0|2,0,0]=4 3773 B14R1.418 CC(C)CCSCC(=O)c1ccc[nH]1 62a_100000210312_200011262396 [0,2,0,0,0,0|1,0,0]=3 3774 B14R1.418 CC(C)CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210312 [0,2,0,0,0,0|1,0,0]=3 3775 B14R1.418 CC(C)CCSCC(=O)c1ccco1 62a_100000210312_100000211439 [0,2,0,0,0,0|0,0,0]=2 3776 B14R1.418 CC(C)CCSCC(=O)c1ccco1 62a_100000211439_100000210312 [0,2,0,0,0,0|0,0,0]=2 3777 B14R1.418 CC(C)CCSCC(=O)c1cccs1 62a_100000210312_100000211436 [0,2,0,0,0,0|0,1,0]=3 3778 B14R1.418 CC(C)CCSCC(=O)c1cccs1 62a_100000211436_100000210312 [0,2,0,0,0,0|0,1,0]=3 3779 B14R1.418 CC(C)CCSCC(=O)c1ccsc1 62a_100000210312_100011219462 [0,2,0,0,0,0|2,0,0]=4 3780 B14R1.418 CC(C)CCSCC(=O)c1ccsc1 62a_100011219462_100000210312 [0,2,0,0,0,0|2,0,0]=4 3781 B14R1.418 CC(C)CCSCC(=O)c1nccs1 62a_100000210312_100000718653 [0,2,0,0,0,0|1,1,0]=4 3782 B14R1.418 CC(C)CCSCC(=O)c1nccs1 62a_100000718653_100000210312 [0,2,0,0,0,0|1,1,0]=4 3783 B14R1.418 CC(C)CCSCC(=O)n1cccn1 62a_100000077511_100000210312 [0,2,0,0,0,0|2,0,0]=4 3784 B14R1.418 CC(C)CCSCC(=O)n1cccn1 62a_100000210312_100000077511 [0,2,0,0,0,0|2,0,0]=4 3785 B14R1.418 CC(C)CNCCC(=O)c1cccs1 2230a_100000210953_100011290775 [0,2,0,0,0,0|0,1,0]=3 3786 B14R1.418 CC(C)CSCCC(=O)c1cccs1 62a_100000210624_100011290775 [0,2,0,0,0,0|0,1,0]=3 3787 B14R1.418 CC(C)CSCCC(=O)c1cccs1 62a_100011290775_100000210760 [0,2,0,0,0,0|0,1,0]=3 3788 B14R1.418 CC(C)OCSCC(=O)c1ccc[nH]1 62a_100000709892_200011262396 [0,2,0,0,0,0|2,0,0]=4 3789 B14R1.418 CC(C)OCSCC(=O)c1ccc[nH]1 62a_200011262396_100000709892 [0,2,0,0,0,0|2,0,0]=4 3790 B14R1.418 CC(C)OCSCC(=O)c1ccco1 62a_100000211439_100000709892 [0,2,0,0,0,0|1,0,0]=3 3791 B14R1.418 CC(C)OCSCC(=O)c1ccco1 62a_100000709892_100000211439 [0,2,0,0,0,0|1,0,0]=3 3792 B14R1.418 CC(C)OCSCC(=O)c1cccs1 62a_100000211436_100000709892 [0,2,0,0,0,0|1,1,0]=4 3793 B14R1.418 CC(C)OCSCC(=O)c1cccs1 62a_100000709892_100000211436 [0,2,0,0,0,0|1,1,0]=4 3794 B14R1.418 CC(O)CCCN[C@H](C)c1ccco1 2230a_100160469435_200000718107 [0,2,0,0,0,0|1,0,1]=4 3795 B14R1.418 CC(O)CCCO[C@@H](C)c1ccco1 34a_100000755270_200000718107 [0,2,0,0,0,0|1,0,1]=4 3796 B14R1.418 CC(O)CCCO[C@@H](C)c1ccco1 7a_100000755270_200000718107 [0,2,0,0,0,0|1,0,1]=4 3797 B14R1.418 CC(O)CCNCC(=O)c1cccs1 2230a_200000755665_100000211436 [0,2,0,0,0,0|0,1,0]=3 3798 B14R1.418 CC(O)CCNCC(=O)c1ccsc1 2230a_200000755665_100011219462 [0,2,0,0,0,0|2,0,0]=4 3799 B14R1.418 CC(O)CCNCC(=O)n1cccn1 2230a_200000755665_100000077511 [0,2,0,0,0,0|2,0,0]=4 3800 B14R1.418 CC(O)CCNCC(O)c1ccco1 2230a_100000738650_100012276601 [0,2,0,0,0,0|0,0,2]=4 3801 B14R1.418 CC(O)CCSCC(=O)c1ccc[nH]1 62a_100012276601_200011262396 [0,2,0,0,0,0|1,0,0]=3 3802 B14R1.418 CC(O)CCSCC(=O)c1ccc[nH]1 62a_200011262396_100012276601 [0,2,0,0,0,0|1,0,0]=3 3803 B14R1.418 CC(O)CCSCC(=O)c1ccco1 62a_100000211439_100012276601 [0,2,0,0,0,0|0,0,0]=2 3804 B14R1.418 CC(O)CCSCC(=O)c1ccco1 62a_100012276601_100000211439 [0,2,0,0,0,0|0,0,0]=2 3805 B14R1.418 CC(O)CCSCC(=O)c1cccs1 62a_100000211436_100012276601 [0,2,0,0,0,0|0,1,0]=3 3806 B14R1.418 CC(O)CCSCC(=O)c1cccs1 62a_100012276601_100000211436 [0,2,0,0,0,0|0,1,0]=3 3807 B14R1.418 CC(O)CCSCC(=O)c1ccsc1 62a_100011219462_100012276601 [0,2,0,0,0,0|2,0,0]=4 3808 B14R1.418 CC(O)CCSCC(=O)c1ccsc1 62a_100012276601_100011219462 [0,2,0,0,0,0|2,0,0]=4 3809 B14R1.418 CC(O)CCSCC(=O)c1nccs1 62a_100000718653_100012276601 [0,2,0,0,0,0|1,1,0]=4 3810 B14R1.418 CC(O)CCSCC(=O)c1nccs1 62a_100012276601_100000718653 [0,2,0,0,0,0|1,1,0]=4 3811 B14R1.418 CC(O)CCSCC(=O)n1cccn1 62a_100000077511_100012276601 [0,2,0,0,0,0|2,0,0]=4 3812 B14R1.418 CC(O)CCSCC(=O)n1cccn1 62a_100012276601_100000077511 [0,2,0,0,0,0|2,0,0]=4 3813 B14R1.418 CC(O)CNCCC(=O)c1cccs1 2230a_100000210904_100011290775 [0,2,0,0,0,0|0,1,0]=3 3814 B14R1.418 CC(O)CSCCC(=O)c1cccs1 62a_100011218427_100011290775 [0,2,0,0,0,0|0,1,0]=3 3815 B14R1.418 CC(O)CSCCC(=O)c1cccs1 62a_100011290775_100011218427 [0,2,0,0,0,0|0,1,0]=3 3816 B14R1.418 CN(C)CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000755713 [0,2,0,0,0,0|2,0,0]=4 3817 B14R1.418 CN(C)CCSCC(=O)c1ccco1 62a_100000211439_100000755713 [0,2,0,0,0,0|1,0,0]=3 3818 B14R1.418 CN(C)CCSCC(=O)c1cccs1 62a_100000211436_100000755713 [0,2,0,0,0,0|1,1,0]=4 3819 B14R1.418 C[C@@H](N)CCOCC(=O)c1ccsc1 34a_100000706166_100011219462 [0,2,0,0,0,0|2,0,0]=4 3820 B14R1.418 C[C@@H](O)CSCCC(=O)c1cccs1 62a_100009817552_100011290775 [0,2,0,0,0,0|0,1,0]=3 3821 B14R1.418 C[C@@H](O)CSCCC(=O)c1cccs1 62a_100011290775_100009817552 [0,2,0,0,0,0|0,1,0]=3 3822 B14R1.418 NC(=O)CCOCC(=O)c1ccco1 7a_100000757172_100000211439 [0,2,0,0,0,0|1,0,1]=4 3823 B14R1.418 NC(=O)CCSCC(=O)c1ccco1 62a_100000211439_100000744528 [0,2,0,0,0,0|1,0,1]=4 3824 B14R1.418 NC(=O)CCSCC(=O)c1ccco1 62a_100000744528_100000211439 [0,2,0,0,0,0|1,0,1]=4 3825 B14R1.418 O=C(CCSCC(F)F)c1cccs1 62a_100011290775_100011934356 [0,2,0,0,0,0|1,1,0]=4 3826 B14R1.418 O=C(CCSCC(F)F)c1cccs1 62a_100011934356_100011290775 [0,2,0,0,0,0|1,1,0]=4 3827 B14R1.418 [13CH3]C(=O)CCCNC(=O)c1ccco1 1458a_100000194748_200025704644 [0,2,0,0,0,0|0,0,1]=3 3828 B14R1.418 [13CH3]C(=O)CCCNC(=O)c1cccs1 1458a_100000194764_200025704644 [0,2,0,0,0,0|0,1,1]=4 3829 B14R1.442 CCCCCNS(=O)(=O)c1ccco1 270084a_100000209983_200000702926 [0,2,0,0,0,0|1,0,0]=3 3830 B14R1.442 CCCCCNS(=O)(=O)c1ccco1 274078a_100000209983_200000702926 [0,2,0,0,0,0|1,0,0]=3 3831 B14R1.442 CCCCCNS(=O)(=O)c1cccs1 270084a_100000209983_100000205146 [0,2,0,0,0,0|1,1,0]=4 3832 B14R1.442 CCCCCNS(=O)(=O)c1cccs1 274078a_100000209983_100000205146 [0,2,0,0,0,0|1,1,0]=4 3833 B14R1.442 CCCCCNS(=O)(=O)c1cccs1 40a_100000209983_200000102146 [0,2,0,0,0,0|1,1,0]=4 3834 B14R1.442 CCOCCNS(=O)(=O)c1ccco1 270084a_102516460346_200000702926 [0,2,0,0,0,0|2,0,0]=4 3835 B14R1.442 CCOCCNS(=O)(=O)c1ccco1 274078a_102516460346_200000702926 [0,2,0,0,0,0|2,0,0]=4 3836 B14R1.442 CCSCCNS(=O)(=O)c1ccco1 270084a_100000106463_200000702926 [0,2,0,0,0,0|2,0,0]=4 3837 B14R1.442 CCSCCNS(=O)(=O)c1ccco1 274078a_100000106463_200000702926 [0,2,0,0,0,0|2,0,0]=4 3838 B14R1.442 COCCCNS(=O)(=O)c1ccco1 270084a_100150723488_200000702926 [0,2,0,0,0,0|2,0,0]=4 3839 B14R1.442 COCCCNS(=O)(=O)c1ccco1 274078a_100150723488_200000702926 [0,2,0,0,0,0|2,0,0]=4 3840 B14R1.442 CSCCCNS(=O)(=O)c1ccco1 270084a_100000749238_200000702926 [0,2,0,0,0,0|2,0,0]=4 3841 B14R1.442 CSCCCNS(=O)(=O)c1ccco1 274078a_100000749238_200000702926 [0,2,0,0,0,0|2,0,0]=4 3842 B14R1.442 O=S(=O)(NCCCCO)c1ccco1 270084a_100000750430_200000702926 [0,2,0,0,0,0|2,0,0]=4 3843 B14R1.442 O=S(=O)(NCCCCO)c1ccco1 274078a_100000750430_200000702926 [0,2,0,0,0,0|2,0,0]=4 3844 B14R1.729 C#CC(C)NCCC(=O)c1cccs1 2230a_100000707721_100011290775 [0,2,0,0,0,0|1,1,0]=4 3845 B14R1.729 C#CC(C)SCCC(=O)c1cccs1 62a_200000035995_100011290775 [0,2,0,0,0,0|1,1,0]=4 3846 B14R1.729 C#C[C@@H](C)OCCC(=O)c1cccs1 7a_100009815206_100011290775 [0,2,0,0,0,0|1,1,0]=4 3847 B14R1.729 C=CC(C)COCC(=O)c1ccc[nH]1 7a_100011215527_200011262396 [0,2,0,0,0,0|2,0,0]=4 3848 B14R1.729 C=CC(C)COCC(=O)c1ccco1 7a_100011215527_100000211439 [0,2,0,0,0,0|1,0,0]=3 3849 B14R1.729 C=CC(C)COCC(=O)c1cccs1 7a_100011215527_100000211436 [0,2,0,0,0,0|1,1,0]=4 3850 B14R1.729 C=CC(C)SCCC(=O)c1cccs1 62a_100011215867_100011290775 [0,2,0,0,0,0|1,1,0]=4 3851 B14R1.729 C=CC(O)CSCC(=O)c1ccco1 62a_100000211439_100000730141 [0,2,0,0,0,0|0,0,2]=4 3852 B14R1.729 C=CC(O)CSCC(=O)c1ccco1 62a_100000730141_100000211439 [0,2,0,0,0,0|0,0,2]=4 3853 B14R1.729 CC(C#N)NCCC(=O)c1cccs1 2230a_100000737613_100011290775 [0,2,0,0,0,0|1,1,0]=4 3854 B14R1.729 CC(C#N)SCCC(=O)c1cccs1 62a_100000703298_100011290775 [0,2,0,0,0,0|1,1,0]=4 3855 B14R1.729 CC(C#N)SCCC(=O)c1cccs1 62a_100011290775_100000703298 [0,2,0,0,0,0|1,1,0]=4 3856 B14R1.729 CC(CF)OCCC(=O)c1cccs1 7a_100016041109_100011290775 [0,2,0,0,0,0|1,1,0]=4 3857 B14R1.729 CC(CO)SCCC(=O)c1cccs1 62a_100012180447_100011290775 [0,2,0,0,0,0|1,1,0]=4 3858 B14R1.729 CCC(=O)CCCC(=C1C=CC=C1)C 1458a_100009924236_100000210202 [0,2,0,0,0,0|2,0,0]=4 3859 B14R1.729 CCC(=O)CCNC(=O)c1ccco1 1458a_100000184273_100000210202 [0,2,0,0,0,0|0,0,1]=3 3860 B14R1.729 CCC(=O)CCNC(=O)c1cccs1 1458a_100000195306_100000210202 [0,2,0,0,0,0|0,1,1]=4 3861 B14R1.729 CCC(=O)CSCC(=O)c1ccc[nH]1 62a_100000747405_200011262396 [0,2,0,0,0,0|1,0,1]=4 3862 B14R1.729 CCC(=O)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000747405 [0,2,0,0,0,0|1,0,1]=4 3863 B14R1.729 CCC(=O)CSCC(=O)c1ccco1 62a_100000211439_100000747405 [0,2,0,0,0,0|0,0,1]=3 3864 B14R1.729 CCC(=O)CSCC(=O)c1ccco1 62a_100000747405_100000211439 [0,2,0,0,0,0|0,0,1]=3 3865 B14R1.729 CCC(=O)CSCC(=O)c1cccs1 62a_100000211436_100000747405 [0,2,0,0,0,0|0,1,1]=4 3866 B14R1.729 CCC(=O)CSCC(=O)c1cccs1 62a_100000747405_100000211436 [0,2,0,0,0,0|0,1,1]=4 3867 B14R1.729 CCC(C)C=NNC(=O)c1ccco1 4a_100000185077_100000243153 [0,2,0,0,0,0|1,0,1]=4 3868 B14R1.729 CCC(C)CNCC(=O)c1cccs1 2230a_100020588543_100000211436 [0,2,0,0,0,0|0,1,0]=3 3869 B14R1.729 CCC(C)CNCC(=O)c1ccsc1 2230a_100020588543_100011219462 [0,2,0,0,0,0|2,0,0]=4 3870 B14R1.729 CCC(C)CNCC(=O)n1cccn1 2230a_100020588543_100000077511 [0,2,0,0,0,0|2,0,0]=4 3871 B14R1.729 CCC(C)CNCC(O)c1ccco1 2230a_100000738650_100000748023 [0,2,0,0,0,0|0,0,2]=4 3872 B14R1.729 CCC(C)CNCC(O)c1ccco1 270004a_100000738650_100000243153 [0,2,0,0,0,0|0,0,2]=4 3873 B14R1.729 CCC(C)CSCC(=O)c1ccc[nH]1 62a_100000748023_200011262396 [0,2,0,0,0,0|1,0,0]=3 3874 B14R1.729 CCC(C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000748023 [0,2,0,0,0,0|1,0,0]=3 3875 B14R1.729 CCC(C)CSCC(=O)c1ccco1 62a_100000211439_100000748023 [0,2,0,0,0,0|0,0,0]=2 3876 B14R1.729 CCC(C)CSCC(=O)c1ccco1 62a_100000748023_100000211439 [0,2,0,0,0,0|0,0,0]=2 3877 B14R1.729 CCC(C)CSCC(=O)c1cccs1 62a_100000211436_100000748023 [0,2,0,0,0,0|0,1,0]=3 3878 B14R1.729 CCC(C)CSCC(=O)c1cccs1 62a_100000748023_100000211436 [0,2,0,0,0,0|0,1,0]=3 3879 B14R1.729 CCC(C)CSCC(=O)c1ccsc1 62a_100000748023_100011219462 [0,2,0,0,0,0|2,0,0]=4 3880 B14R1.729 CCC(C)CSCC(=O)c1ccsc1 62a_100011219462_100000748023 [0,2,0,0,0,0|2,0,0]=4 3881 B14R1.729 CCC(C)CSCC(=O)c1nccs1 62a_100000718653_100000748023 [0,2,0,0,0,0|1,1,0]=4 3882 B14R1.729 CCC(C)CSCC(=O)c1nccs1 62a_100000748023_100000718653 [0,2,0,0,0,0|1,1,0]=4 3883 B14R1.729 CCC(C)CSCC(=O)n1cccn1 62a_100000077511_100000748023 [0,2,0,0,0,0|2,0,0]=4 3884 B14R1.729 CCC(C)CSCC(=O)n1cccn1 62a_100000748023_100000077511 [0,2,0,0,0,0|2,0,0]=4 3885 B14R1.729 CCC(C)NCCC(=O)c1cccs1 2230a_100000209981_100011290775 [0,2,0,0,0,0|0,1,0]=3 3886 B14R1.729 CCC(C)OCCC(=O)c1cccs1 7a_100000210228_100011290775 [0,2,0,0,0,0|0,1,0]=3 3887 B14R1.729 CCC(C)SCCC(=O)c1cccs1 62a_100000758301_100011290775 [0,2,0,0,0,0|0,1,0]=3 3888 B14R1.729 CCC(C)SCCC(=O)c1cccs1 62a_100011290775_100000758301 [0,2,0,0,0,0|0,1,0]=3 3889 B14R1.729 CCC(O)CNCC(=O)c1cccs1 2230a_100011218483_100000211436 [0,2,0,0,0,0|0,1,0]=3 3890 B14R1.729 CCC(O)CNCC(=O)c1ccsc1 2230a_100011218483_100011219462 [0,2,0,0,0,0|2,0,0]=4 3891 B14R1.729 CCC(O)CNCC(=O)n1cccn1 2230a_100011218483_100000077511 [0,2,0,0,0,0|2,0,0]=4 3892 B14R1.729 CCC(O)CNCC(O)c1ccco1 2230a_100000738650_100011218378 [0,2,0,0,0,0|0,0,2]=4 3893 B14R1.729 CCC(O)CNN=C(C)c1ccco1 4a_100015206393_100000210965 [0,2,0,0,0,0|2,0,0]=4 3894 B14R1.729 CCC(O)CSCC(=O)c1ccc[nH]1 62a_100011218378_200011262396 [0,2,0,0,0,0|1,0,0]=3 3895 B14R1.729 CCC(O)CSCC(=O)c1ccc[nH]1 62a_200011262396_100011218378 [0,2,0,0,0,0|1,0,0]=3 3896 B14R1.729 CCC(O)CSCC(=O)c1ccco1 62a_100000211439_100011218378 [0,2,0,0,0,0|0,0,0]=2 3897 B14R1.729 CCC(O)CSCC(=O)c1ccco1 62a_100011218378_100000211439 [0,2,0,0,0,0|0,0,0]=2 3898 B14R1.729 CCC(O)CSCC(=O)c1cccs1 62a_100000211436_100011218378 [0,2,0,0,0,0|0,1,0]=3 3899 B14R1.729 CCC(O)CSCC(=O)c1cccs1 62a_100011218378_100000211436 [0,2,0,0,0,0|0,1,0]=3 3900 B14R1.729 CCC(O)CSCC(=O)c1ccsc1 62a_100011218378_100011219462 [0,2,0,0,0,0|2,0,0]=4 3901 B14R1.729 CCC(O)CSCC(=O)c1ccsc1 62a_100011219462_100011218378 [0,2,0,0,0,0|2,0,0]=4 3902 B14R1.729 CCC(O)CSCC(=O)c1nccs1 62a_100000718653_100011218378 [0,2,0,0,0,0|1,1,0]=4 3903 B14R1.729 CCC(O)CSCC(=O)c1nccs1 62a_100011218378_100000718653 [0,2,0,0,0,0|1,1,0]=4 3904 B14R1.729 CCC(O)CSCC(=O)n1cccn1 62a_100000077511_100011218378 [0,2,0,0,0,0|2,0,0]=4 3905 B14R1.729 CCC(O)CSCC(=O)n1cccn1 62a_100011218378_100000077511 [0,2,0,0,0,0|2,0,0]=4 3906 B14R1.729 CC[C@H](C)CNCC(O)c1ccco1 2230a_100000738650_100009816398 [0,2,0,0,0,0|0,0,2]=4 3907 B14R1.729 CC[C@H](C)COCC(=O)c1ccc[nH]1 7a_100009816381_200011262396 [0,2,0,0,0,0|1,0,0]=3 3908 B14R1.729 CC[C@H](C)COCC(=O)c1ccco1 7a_100009816381_100000211439 [0,2,0,0,0,0|0,0,0]=2 3909 B14R1.729 CC[C@H](C)COCC(=O)c1cccs1 7a_100009816381_100000211436 [0,2,0,0,0,0|0,1,0]=3 3910 B14R1.729 CC[C@H](C)COCC(=O)c1ccsc1 7a_100009816381_100011219462 [0,2,0,0,0,0|2,0,0]=4 3911 B14R1.729 CC[C@H](C)COCC(=O)c1nccs1 7a_100009816381_100000718653 [0,2,0,0,0,0|1,1,0]=4 3912 B14R1.729 CC[C@H](C)COCC(=O)n1cccn1 7a_100009816381_100000077511 [0,2,0,0,0,0|2,0,0]=4 3913 B14R1.729 CC[C@H](C)CSCC(=O)c1ccc[nH]1 62a_100009816398_200011262396 [0,2,0,0,0,0|1,0,0]=3 3914 B14R1.729 CC[C@H](C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100009816398 [0,2,0,0,0,0|1,0,0]=3 3915 B14R1.729 CC[C@H](C)CSCC(=O)c1ccco1 62a_100000211439_100009816398 [0,2,0,0,0,0|0,0,0]=2 3916 B14R1.729 CC[C@H](C)CSCC(=O)c1ccco1 62a_100009816398_100000211439 [0,2,0,0,0,0|0,0,0]=2 3917 B14R1.729 CC[C@H](C)CSCC(=O)c1cccs1 62a_100000211436_100009816398 [0,2,0,0,0,0|0,1,0]=3 3918 B14R1.729 CC[C@H](C)CSCC(=O)c1cccs1 62a_100009816398_100000211436 [0,2,0,0,0,0|0,1,0]=3 3919 B14R1.729 CC[C@H](C)CSCC(=O)c1ccsc1 62a_100009816398_100011219462 [0,2,0,0,0,0|2,0,0]=4 3920 B14R1.729 CC[C@H](C)CSCC(=O)c1ccsc1 62a_100011219462_100009816398 [0,2,0,0,0,0|2,0,0]=4 3921 B14R1.729 CC[C@H](C)CSCC(=O)c1nccs1 62a_100000718653_100009816398 [0,2,0,0,0,0|1,1,0]=4 3922 B14R1.729 CC[C@H](C)CSCC(=O)c1nccs1 62a_100009816398_100000718653 [0,2,0,0,0,0|1,1,0]=4 3923 B14R1.729 CC[C@H](C)CSCC(=O)n1cccn1 62a_100000077511_100009816398 [0,2,0,0,0,0|2,0,0]=4 3924 B14R1.729 CC[C@H](C)CSCC(=O)n1cccn1 62a_100009816398_100000077511 [0,2,0,0,0,0|2,0,0]=4 3925 B14R1.729 CNC(=O)CCNC(=O)c1ccco1 11a_106832991635_100000184273 [0,2,0,0,0,0|1,0,1]=4 3926 B14R1.729 CNC(=O)CCNC(=O)c1ccco1 1626a_100102657272_100000184273 [0,2,0,0,0,0|1,0,1]=4 3927 B14R1.729 CNC(=O)CCNC(=O)c1ccco1 240690a_100102657272_100000184273 [0,2,0,0,0,0|1,0,1]=4 3928 B14R1.729 CNC(=O)CCNC(=O)c1ccco1 527a_100102657272_100000184273 [0,2,0,0,0,0|1,0,1]=4 3929 B14R1.729 CNC(=O)CSCC(=O)c1ccco1 62a_100000183359_100000211439 [0,2,0,0,0,0|1,0,1]=4 3930 B14R1.729 CNC(=O)CSCC(=O)c1ccco1 62a_100000211439_100000183359 [0,2,0,0,0,0|1,0,1]=4 3931 B14R1.729 COC(=O)CSCC(=O)c1ccco1 62a_100000211439_100000747449 [0,2,0,0,0,0|1,0,1]=4 3932 B14R1.729 COC(=O)CSCC(=O)c1ccco1 62a_100000747449_100000211439 [0,2,0,0,0,0|1,0,1]=4 3933 B14R1.729 COC(C)SCCC(=O)c1cccs1 62a_100009879195_100011290775 [0,2,0,0,0,0|1,1,0]=4 3934 B14R1.729 COC(C)SCCC(=O)c1cccs1 62a_100011290775_100009879195 [0,2,0,0,0,0|1,1,0]=4 3935 B14R1.729 CO[C@H](C)CNCC(=O)c1cccs1 2230a_100020591295_100000211436 [0,2,0,0,0,0|1,1,0]=4 3936 B14R1.729 C[C@@H](CO)CSCC(=O)c1ccc[nH]1 62a_100000059175_200011262396 [0,2,0,0,0,0|2,0,0]=4 3937 B14R1.729 C[C@@H](CO)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000059175 [0,2,0,0,0,0|2,0,0]=4 3938 B14R1.729 C[C@@H](CO)CSCC(=O)c1ccco1 62a_100000059175_100000211439 [0,2,0,0,0,0|1,0,0]=3 3939 B14R1.729 C[C@@H](CO)CSCC(=O)c1ccco1 62a_100000211439_100000059175 [0,2,0,0,0,0|1,0,0]=3 3940 B14R1.729 C[C@@H](CO)CSCC(=O)c1cccs1 62a_100000059175_100000211436 [0,2,0,0,0,0|1,1,0]=4 3941 B14R1.729 C[C@@H](CO)CSCC(=O)c1cccs1 62a_100000211436_100000059175 [0,2,0,0,0,0|1,1,0]=4 3942 B14R1.729 C[C@H](CO)NCCC(=O)c1cccs1 2230a_100000737577_100011290775 [0,2,0,0,0,0|1,1,0]=4 3943 B14R1.729 C[C@H](CO)SCCC(=O)c1cccs1 62a_100011290775_100016084084 [0,2,0,0,0,0|1,1,0]=4 3944 B14R1.729 C[C@H](CO)SCCC(=O)c1cccs1 62a_100016084084_100011290775 [0,2,0,0,0,0|1,1,0]=4 3945 B14R1.729 O=C(CF)CCNC(=O)c1ccco1 1458a_100000184273_100015361967 [0,2,0,0,0,0|1,0,1]=4 3946 B14R1.729 O=C(CNC[C@H](O)CO)c1cccs1 2230a_100020644852_100000211436 [0,2,0,0,0,0|1,1,0]=4 3947 B14R1.729 O=C(CSCC(O)CO)c1ccc[nH]1 62a_100011219619_200011262396 [0,2,0,0,0,0|2,0,0]=4 3948 B14R1.729 O=C(CSCC(O)CO)c1ccc[nH]1 62a_200011262396_100011219619 [0,2,0,0,0,0|2,0,0]=4 3949 B14R1.729 O=C(CSCC(O)CO)c1ccco1 62a_100000211439_100011219619 [0,2,0,0,0,0|1,0,0]=3 3950 B14R1.729 O=C(CSCC(O)CO)c1ccco1 62a_100011219619_100000211439 [0,2,0,0,0,0|1,0,0]=3 3951 B14R1.729 O=C(CSCC(O)CO)c1cccs1 62a_100000211436_100011219619 [0,2,0,0,0,0|1,1,0]=4 3952 B14R1.729 O=C(CSCC(O)CO)c1cccs1 62a_100011219619_100000211436 [0,2,0,0,0,0|1,1,0]=4 3953 B14R1.729 O=C(CSC[C@@H](O)CF)c1ccc[nH]1 62a_100015614560_200011262396 [0,2,0,0,0,0|2,0,0]=4 3954 B14R1.729 O=C(CSC[C@@H](O)CF)c1ccc[nH]1 62a_200011262396_100015614560 [0,2,0,0,0,0|2,0,0]=4 3955 B14R1.729 O=C(CSC[C@@H](O)CF)c1ccco1 62a_100000211439_100015614560 [0,2,0,0,0,0|1,0,0]=3 3956 B14R1.729 O=C(CSC[C@@H](O)CF)c1ccco1 62a_100015614560_100000211439 [0,2,0,0,0,0|1,0,0]=3 3957 B14R1.729 O=C(CSC[C@@H](O)CF)c1cccs1 62a_100000211436_100015614560 [0,2,0,0,0,0|1,1,0]=4 3958 B14R1.729 O=C(CSC[C@@H](O)CF)c1cccs1 62a_100015614560_100000211436 [0,2,0,0,0,0|1,1,0]=4 3959 B14R1.729 O=C(CSC[C@@H](O)CO)c1ccc[nH]1 62a_100009815848_200011262396 [0,2,0,0,0,0|2,0,0]=4 3960 B14R1.729 O=C(CSC[C@@H](O)CO)c1ccc[nH]1 62a_200011262396_100009815848 [0,2,0,0,0,0|2,0,0]=4 3961 B14R1.729 O=C(CSC[C@@H](O)CO)c1ccco1 62a_100000211439_100009815848 [0,2,0,0,0,0|1,0,0]=3 3962 B14R1.729 O=C(CSC[C@@H](O)CO)c1ccco1 62a_100009815848_100000211439 [0,2,0,0,0,0|1,0,0]=3 3963 B14R1.729 O=C(CSC[C@@H](O)CO)c1cccs1 62a_100000211436_100009815848 [0,2,0,0,0,0|1,1,0]=4 3964 B14R1.729 O=C(CSC[C@@H](O)CO)c1cccs1 62a_100009815848_100000211436 [0,2,0,0,0,0|1,1,0]=4 3965 B14R1.3360 CCCCNCC(=O)c1cccn1C 2230a_100000102301_200011262399 [0,2,0,0,0,0|1,0,0]=3 3966 B14R1.3360 CCCCNCC(=O)c1cccn1C 7a_106832991798_200011262399 [0,2,0,0,0,0|1,0,0]=3 3967 B14R1.3360 CCCCNCC(=O)c1nccn1C 7a_106832991798_100010243886 [0,2,0,0,0,0|2,0,0]=4 3968 B14R1.3360 CCCCNCC(=O)c1sccc1Br 2230a_100000102301_100000740827 [0,2,0,0,0,0|0,1,0]=3 3969 B14R1.3360 CCCCNCC(=O)c1sccc1Br 7a_106832991798_100000740827 [0,2,0,0,0,0|0,1,0]=3 3970 B14R1.3360 CCCCOCC(=O)c1cccn1C 34a_100000210227_200011262399 [0,2,0,0,0,0|1,0,0]=3 3971 B14R1.3360 CCCCOCC(=O)c1cccn1C 7a_100000210227_200011262399 [0,2,0,0,0,0|1,0,0]=3 3972 B14R1.3360 CCCCOCC(=O)c1nccn1C 34a_100000210227_100010243886 [0,2,0,0,0,0|2,0,0]=4 3973 B14R1.3360 CCCCOCC(=O)c1nccn1C 7a_100000210227_100010243886 [0,2,0,0,0,0|2,0,0]=4 3974 B14R1.3360 CCCCOCC(=O)c1sccc1Br 34a_100000210227_100000740827 [0,2,0,0,0,0|0,1,0]=3 3975 B14R1.3360 CCCCOCC(=O)c1sccc1Br 7a_100000210227_100000740827 [0,2,0,0,0,0|0,1,0]=3 3976 B14R1.3360 CCCCSCC(=O)c1cccn1C 62a_100000210211_200011262399 [0,2,0,0,0,0|1,0,0]=3 3977 B14R1.3360 CCCCSCC(=O)c1cccn1C 62a_200011262399_100000210210 [0,2,0,0,0,0|1,0,0]=3 3978 B14R1.3360 CCCCSCC(=O)c1nccn1C 62a_100000210211_100010243886 [0,2,0,0,0,0|2,0,0]=4 3979 B14R1.3360 CCCCSCC(=O)c1nccn1C 62a_100010243886_100000210210 [0,2,0,0,0,0|2,0,0]=4 3980 B14R1.3360 CCCCSCC(=O)c1sccc1Br 62a_100000740827_100000210210 [0,2,0,0,0,0|0,1,0]=3 3981 B14R1.3360 CCOCSCC(=O)c1cccn1C 62a_100000739092_200011262399 [0,2,0,0,0,0|2,0,0]=4 3982 B14R1.3360 CCOCSCC(=O)c1cccn1C 62a_200011262399_100000739092 [0,2,0,0,0,0|2,0,0]=4 3983 B14R1.3360 CCOCSCC(=O)c1sccc1Br 62a_100000740827_100000739092 [0,2,0,0,0,0|1,1,0]=4 3984 B14R1.3360 COCCNCC(=O)c1cccn1C 2230a_100000209980_200011262399 [0,2,0,0,0,0|2,0,0]=4 3985 B14R1.3360 COCCNCC(=O)c1sccc1Br 2230a_100000209980_100000740827 [0,2,0,0,0,0|1,1,0]=4 3986 B14R1.3360 COCCOCC(=O)c1cccn1C 34a_100000210237_200011262399 [0,2,0,0,0,0|2,0,0]=4 3987 B14R1.3360 COCCOCC(=O)c1sccc1Br 34a_100000210237_100000740827 [0,2,0,0,0,0|1,1,0]=4 3988 B14R1.3360 COCCSCC(=O)c1cccn1C 62a_100000233755_200011262399 [0,2,0,0,0,0|2,0,0]=4 3989 B14R1.3360 COCCSCC(=O)c1cccn1C 62a_200011262399_100000233755 [0,2,0,0,0,0|2,0,0]=4 3990 B14R1.3360 COCCSCC(=O)c1sccc1Br 62a_100000740827_100000233755 [0,2,0,0,0,0|1,1,0]=4 3991 B14R1.3360 CSCCNCC(=O)c1cccn1C 2230a_100020590264_200011262399 [0,2,0,0,0,0|2,0,0]=4 3992 B14R1.3360 CSCCNCC(=O)c1sccc1Br 2230a_100020590264_100000740827 [0,2,0,0,0,0|1,1,0]=4 3993 B14R1.3360 CSCCOCC(=O)c1cccn1C 34a_100000230434_200011262399 [0,2,0,0,0,0|2,0,0]=4 3994 B14R1.3360 CSCCOCC(=O)c1cccn1C 7a_100000230434_200011262399 [0,2,0,0,0,0|2,0,0]=4 3995 B14R1.3360 CSCCOCC(=O)c1sccc1Br 34a_100000230434_100000740827 [0,2,0,0,0,0|1,1,0]=4 3996 B14R1.3360 CSCCOCC(=O)c1sccc1Br 7a_100000230434_100000740827 [0,2,0,0,0,0|1,1,0]=4 3997 B14R1.3360 CSCCSCC(=O)c1cccn1C 62a_100000212216_200011262399 [0,2,0,0,0,0|2,0,0]=4 3998 B14R1.3360 CSCCSCC(=O)c1cccn1C 62a_200011262399_100000751147 [0,2,0,0,0,0|2,0,0]=4 3999 B14R1.3360 CSCCSCC(=O)c1sccc1Br 62a_100000740827_100000751147 [0,2,0,0,0,0|1,1,0]=4 4000 B14R1.3360 Cn1cccc1C(=O)CNCCCF 2230a_100015189416_200011262399 [0,2,0,0,0,0|2,0,0]=4 4001 B14R1.3360 Cn1cccc1C(=O)CNCCCF 34a_100015189416_200011262399 [0,2,0,0,0,0|2,0,0]=4 4002 B14R1.3360 Cn1cccc1C(=O)COCCCBr 34a_100011217188_200011262399 [0,2,0,0,0,0|2,0,0]=4 4003 B14R1.3360 Cn1cccc1C(=O)COCCCCl 34a_100000230001_200011262399 [0,2,0,0,0,0|2,0,0]=4 4004 B14R1.3360 Cn1cccc1C(=O)COCCCF 34a_100000759539_200011262399 [0,2,0,0,0,0|2,0,0]=4 4005 B14R1.3360 Cn1cccc1C(=O)COCCCN 34a_100000182051_200011262399 [0,2,0,0,0,0|2,0,0]=4 4006 B14R1.3360 Cn1cccc1C(=O)CSCCCF 62a_100011934791_200011262399 [0,2,0,0,0,0|2,0,0]=4 4007 B14R1.3360 Cn1cccc1C(=O)CSCCCF 62a_200011262399_100011934791 [0,2,0,0,0,0|2,0,0]=4 4008 B14R1.3360 Cn1cccc1C(=O)CSCCCO 62a_100011215043_200011262399 [0,2,0,0,0,0|2,0,0]=4 4009 B14R1.3360 Cn1cccc1C(=O)CSCCCO 62a_200011262399_100011215043 [0,2,0,0,0,0|2,0,0]=4 4010 B14R1.3360 NCCCOCC(=O)c1sccc1Br 34a_100000182051_100000740827 [0,2,0,0,0,0|1,1,0]=4 4011 B14R1.3360 O=C(CNCCCF)c1sccc1Br 2230a_100015189416_100000740827 [0,2,0,0,0,0|1,1,0]=4 4012 B14R1.3360 O=C(CNCCCF)c1sccc1Br 34a_100015189416_100000740827 [0,2,0,0,0,0|1,1,0]=4 4013 B14R1.3360 O=C(COCCCBr)c1sccc1Br 34a_100011217188_100000740827 [0,2,0,0,0,0|1,1,0]=4 4014 B14R1.3360 O=C(COCCCCl)c1sccc1Br 34a_100000230001_100000740827 [0,2,0,0,0,0|1,1,0]=4 4015 B14R1.3360 O=C(COCCCF)c1sccc1Br 34a_100000759539_100000740827 [0,2,0,0,0,0|1,1,0]=4 4016 B14R1.3360 O=C(CSCCCF)c1sccc1Br 62a_100000740827_100011934791 [0,2,0,0,0,0|1,1,0]=4 4017 B14R1.3360 O=C(CSCCCO)c1sccc1Br 62a_100000740827_100011215043 [0,2,0,0,0,0|1,1,0]=4 4018 B14R1.173 CCCCN(C)S(=O)(=O)c1ccco1 270084a_100000207549_200000702926 [0,2,0,0,0,0|2,0,0]=4 4019 B14R1.173 CCCCN(C)S(=O)(=O)c1ccco1 274078a_100000207549_200000702926 [0,2,0,0,0,0|2,0,0]=4 4020 B14R1.412 CC(C)CCNS(=O)(=O)c1ccco1 270084a_100000210545_200000702926 [0,2,0,0,0,0|2,0,0]=4 4021 B14R1.412 CC(C)CCNS(=O)(=O)c1ccco1 274078a_100000210545_200000702926 [0,2,0,0,0,0|2,0,0]=4 4022 B14R1.412 CC(O)CCNS(=O)(=O)c1ccco1 270084a_200000755665_200000702926 [0,2,0,0,0,0|2,0,0]=4 4023 B14R1.412 CC(O)CCNS(=O)(=O)c1ccco1 274078a_200000755665_200000702926 [0,2,0,0,0,0|2,0,0]=4 4024 B14R1.821 CCC(C)CNS(=O)(=O)c1ccco1 270084a_100020588543_200000702926 [0,2,0,0,0,0|2,0,0]=4 4025 B14R1.821 CCC(C)CNS(=O)(=O)c1ccco1 274078a_100020588543_200000702926 [0,2,0,0,0,0|2,0,0]=4 4026 B14R1.821 CCC(O)CNS(=O)(=O)c1ccco1 270084a_100011218483_200000702926 [0,2,0,0,0,0|2,0,0]=4 4027 B14R1.821 CCC(O)CNS(=O)(=O)c1ccco1 274078a_100011218483_200000702926 [0,2,0,0,0,0|2,0,0]=4 4028 B14R1.1049 CCCCCC(NCC)c1ccco1 269862a_100015525214_200011215134 [0,2,0,0,0,0|1,0,1]=4 4029 B14R1.1049 CCCCCC(NCC)c1ccco1 270004a_100015525214_200011215134 [0,2,0,0,0,0|1,0,1]=4 4030 B14R1.3109 CCCCCC(c1ccco1)N(C)C 270004a_100102631434_200011215134 [0,2,0,0,0,0|1,0,1]=4 4031 B14R1.301 CC(C)(CCl)OCC(=O)c1ccco1 7a_100000764493_100000211439 [0,2,0,0,0,0|2,0,0]=4 4032 B14R1.301 CCC(C)(C)NCC(=O)c1cccs1 2230a_100000211385_100000211436 [0,2,0,0,0,0|1,1,0]=4 4033 B14R1.301 CCC(C)(C)OCC(=O)c1ccc[nH]1 7a_100000210230_200011262396 [0,2,0,0,0,0|2,0,0]=4 4034 B14R1.301 CCC(C)(C)OCC(=O)c1ccco1 7a_100000210230_100000211439 [0,2,0,0,0,0|1,0,0]=3 4035 B14R1.301 CCC(C)(C)OCC(=O)c1cccs1 7a_100000210230_100000211436 [0,2,0,0,0,0|1,1,0]=4 4036 B14R1.301 CCC(C)(C)SCC(=O)c1ccc[nH]1 62a_100000032637_200011262396 [0,2,0,0,0,0|2,0,0]=4 4037 B14R1.301 CCC(C)(C)SCC(=O)c1ccc[nH]1 62a_200011262396_100000032637 [0,2,0,0,0,0|2,0,0]=4 4038 B14R1.301 CCC(C)(C)SCC(=O)c1ccco1 62a_100000032637_100000211439 [0,2,0,0,0,0|1,0,0]=3 4039 B14R1.301 CCC(C)(C)SCC(=O)c1ccco1 62a_100000211439_100000032637 [0,2,0,0,0,0|1,0,0]=3 4040 B14R1.301 CCC(C)(C)SCC(=O)c1cccs1 62a_100000032637_100000211436 [0,2,0,0,0,0|1,1,0]=4 4041 B14R1.301 CCC(C)(C)SCC(=O)c1cccs1 62a_100000211436_100000032637 [0,2,0,0,0,0|1,1,0]=4 4042 B14R1.301 O=C(CSC(F)(F)CO)c1ccco1 62a_100000211439_100011217949 [0,2,0,0,0,0|2,0,0]=4 4043 B14R1.301 O=C(CSC(F)(F)CO)c1ccco1 62a_100011217949_100000211439 [0,2,0,0,0,0|2,0,0]=4 4044 B14R1.421 CC(=O)C(C)SCC(=O)c1ccco1 62a_100000211439_100009814033 [0,2,0,0,0,0|1,0,1]=4 4045 B14R1.421 CC(=O)C(C)SCC(=O)c1ccco1 62a_100009814033_100000211439 [0,2,0,0,0,0|1,0,1]=4 4046 B14R1.421 CC(C)C(=O)CCC(=O)c1cccs1 1458a_100000210198_100011290775 [0,2,0,0,0,0|0,1,1]=4 4047 B14R1.421 CC(C)C(=O)CNC(=O)c1ccco1 1458a_200000183647_100000210206 [0,2,0,0,0,0|1,0,1]=4 4048 B14R1.421 CC(C)C(C)NCC(=O)c1cccs1 2230a_100000211541_100000211436 [0,2,0,0,0,0|1,1,0]=4 4049 B14R1.421 CC(C)C(C)OCC(=O)c1ccc[nH]1 7a_100000748068_200011262396 [0,2,0,0,0,0|2,0,0]=4 4050 B14R1.421 CC(C)C(C)OCC(=O)c1ccco1 7a_100000748068_100000211439 [0,2,0,0,0,0|1,0,0]=3 4051 B14R1.421 CC(C)C(C)OCC(=O)c1cccs1 7a_100000748068_100000211436 [0,2,0,0,0,0|1,1,0]=4 4052 B14R1.421 CC(C)N(C)CCC(=O)c1cccs1 269982a_200000211004_100011290775 [0,2,0,0,0,0|1,1,0]=4 4053 B14R1.421 CC(F)C(=O)CCC(=O)c1cccs1 1458a_100000062450_100011290775 [0,2,0,0,0,0|0,1,1]=4 4054 B14R1.421 C[C@@H](O)C(=O)CCC(=O)c1cccs1 1458a_100000717761_100011290775 [0,2,0,0,0,0|0,1,1]=4 4055 B14R1.421 C[C@H](O)C(=O)CCC(=O)c1cccs1 1458a_217856618621_100011290775 [0,2,0,0,0,0|0,1,1]=4 4056 B14R1.533 C#CC(CC)OCC(=O)c1ccc[nH]1 7a_100000758843_200011262396 [0,2,0,0,0,0|2,0,0]=4 4057 B14R1.533 C#CC(CC)OCC(=O)c1ccco1 7a_100000758843_100000211439 [0,2,0,0,0,0|1,0,0]=3 4058 B14R1.533 C#CC(CC)OCC(=O)c1cccs1 7a_100000758843_100000211436 [0,2,0,0,0,0|1,1,0]=4 4059 B14R1.533 C=CC(CC)OCC(=O)c1ccc[nH]1 7a_100000766422_200011262396 [0,2,0,0,0,0|2,0,0]=4 4060 B14R1.533 C=CC(CC)OCC(=O)c1ccco1 7a_100000766422_100000211439 [0,2,0,0,0,0|1,0,0]=3 4061 B14R1.533 C=CC(CC)OCC(=O)c1cccs1 7a_100000766422_100000211436 [0,2,0,0,0,0|1,1,0]=4 4062 B14R1.533 CCC(CC)NCC(=O)c1cccs1 2230a_100000199018_100000211436 [0,2,0,0,0,0|1,1,0]=4 4063 B14R1.533 CCC(CC)OCC(=O)c1ccc[nH]1 7a_100000688536_200011262396 [0,2,0,0,0,0|2,0,0]=4 4064 B14R1.533 CCC(CC)OCC(=O)c1ccco1 7a_100000688536_100000211439 [0,2,0,0,0,0|1,0,0]=3 4065 B14R1.533 CCC(CC)OCC(=O)c1cccs1 7a_100000688536_100000211436 [0,2,0,0,0,0|1,1,0]=4 4066 B14R1.533 CCC(CC)SCC(=O)c1ccc[nH]1 62a_100000210505_200011262396 [0,2,0,0,0,0|2,0,0]=4 4067 B14R1.533 CCC(CC)SCC(=O)c1ccc[nH]1 62a_200011262396_100000210505 [0,2,0,0,0,0|2,0,0]=4 4068 B14R1.533 CCC(CC)SCC(=O)c1ccco1 62a_100000210505_100000211439 [0,2,0,0,0,0|1,0,0]=3 4069 B14R1.533 CCC(CC)SCC(=O)c1ccco1 62a_100000211439_100000210505 [0,2,0,0,0,0|1,0,0]=3 4070 B14R1.533 CCC(CC)SCC(=O)c1cccs1 62a_100000210505_100000211436 [0,2,0,0,0,0|1,1,0]=4 4071 B14R1.533 CCC(CC)SCC(=O)c1cccs1 62a_100000211436_100000210505 [0,2,0,0,0,0|1,1,0]=4 4072 B14R1.533 CCN(CC)CCC(=O)c1cccs1 2230a_100000724800_100011290775 [0,2,0,0,0,0|1,1,0]=4 4073 B14R1.533 CCN(CC)CCC(=O)c1cccs1 269956a_100000042499_100011290775 [0,2,0,0,0,0|1,1,0]=4 4074 B14R1.533 CCN(CC)CCC(=O)c1cccs1 269982a_100000724800_100011290775 [0,2,0,0,0,0|1,1,0]=4 4075 B14R1.533 CC[C@@H](CO)NCC(=O)c1cccs1 2230a_100000709445_100000211436 [0,2,0,0,0,0|1,1,0]=4 4076 B14R1.533 O=C(COC(CCl)CCl)c1ccco1 7a_100000737055_100000211439 [0,2,0,0,0,0|2,0,0]=4 4077 B14R1.533 O=C(COC(CF)CF)c1ccco1 7a_100000032261_100000211439 [0,2,0,0,0,0|2,0,0]=4 4078 B14R1.533 O=C(CO[C@@H](CF)CCl)c1ccco1 7a_100015614560_100000211439 [0,2,0,0,0,0|2,0,0]=4 4079 B14R1.721 CCC(=O)CN(C)C(=O)c1ccco1 1458a_100000194967_100000210202 [0,2,0,0,0,0|1,0,1]=4 4080 B14R1.721 CCC(C)NC(C)C(=O)c1cccs1 2230a_100000209981_100011262360 [0,2,0,0,0,0|1,1,0]=4 4081 B14R1.721 CCC(C)OC(C)C(=O)c1cccs1 7a_100000210228_100011262360 [0,2,0,0,0,0|1,1,0]=4 4082 B14R1.721 CCC(C)SC(C)C(=O)c1cccs1 62a_100000758301_100011262360 [0,2,0,0,0,0|1,1,0]=4 4083 B14R1.721 CCC(C)SC(C)C(=O)c1cccs1 62a_100011262360_100000758301 [0,2,0,0,0,0|1,1,0]=4 4084 B14R1.4461 CCC(C)NCC(=O)c1cccn1C 2230a_100000209981_200011262399 [0,2,0,0,0,0|2,0,0]=4 4085 B14R1.4461 CCC(C)NCC(=O)c1sccc1Br 2230a_100000209981_100000740827 [0,2,0,0,0,0|1,1,0]=4 4086 B14R1.4461 CCC(C)OCC(=O)c1cccn1C 7a_100000210228_200011262399 [0,2,0,0,0,0|2,0,0]=4 4087 B14R1.4461 CCC(C)OCC(=O)c1sccc1Br 7a_100000210228_100000740827 [0,2,0,0,0,0|1,1,0]=4 4088 B14R1.4461 CCC(C)SCC(=O)c1cccn1C 62a_100000758301_200011262399 [0,2,0,0,0,0|2,0,0]=4 4089 B14R1.4461 CCC(C)SCC(=O)c1cccn1C 62a_200011262399_100000758301 [0,2,0,0,0,0|2,0,0]=4 4090 B14R1.4461 CCC(C)SCC(=O)c1sccc1Br 62a_100000740827_100000758301 [0,2,0,0,0,0|1,1,0]=4 4091 B14R1.808 CC(C)CNC(C)C(=O)c1cccs1 2230a_100000210953_100011262360 [0,2,0,0,0,0|1,1,0]=4 4092 B14R1.808 CC(C)CSC(C)C(=O)c1cccs1 62a_100000210624_100011262360 [0,2,0,0,0,0|1,1,0]=4 4093 B14R1.808 CC(C)CSC(C)C(=O)c1cccs1 62a_100011262360_100000210760 [0,2,0,0,0,0|1,1,0]=4 4094 B14R1.808 CC(O)CNC(C)C(=O)c1cccs1 2230a_100000210904_100011262360 [0,2,0,0,0,0|1,1,0]=4 4095 B14R1.808 CC(O)CSC(C)C(=O)c1cccs1 62a_100011218427_100011262360 [0,2,0,0,0,0|1,1,0]=4 4096 B14R1.808 CC(O)CSC(C)C(=O)c1cccs1 62a_100011262360_100011218427 [0,2,0,0,0,0|1,1,0]=4 4097 B14R1.808 CC(SC[C@@H](C)O)C(=O)c1cccs1 62a_100009817552_100011262360 [0,2,0,0,0,0|1,1,0]=4 4098 B14R1.808 CC(SC[C@@H](C)O)C(=O)c1cccs1 62a_100011262360_100009817552 [0,2,0,0,0,0|1,1,0]=4 4099 B14R1.4488 CC(Br)COCC(=O)c1cccn1C 34a_100012180447_200011262399 [0,2,0,0,0,0|2,0,0]=4 4100 B14R1.4488 CC(Br)COCC(=O)c1sccc1Br 34a_100012180447_100000740827 [0,2,0,0,0,0|1,1,0]=4 4101 B14R1.4488 CC(C)CNCC(=O)c1cccn1C 2230a_100000210953_200011262399 [0,2,0,0,0,0|2,0,0]=4 4102 B14R1.4488 CC(C)CNCC(=O)c1cccn1C 34a_100000210953_200011262399 [0,2,0,0,0,0|2,0,0]=4 4103 B14R1.4488 CC(C)CNCC(=O)c1sccc1Br 2230a_100000210953_100000740827 [0,2,0,0,0,0|1,1,0]=4 4104 B14R1.4488 CC(C)CNCC(=O)c1sccc1Br 34a_100000210953_100000740827 [0,2,0,0,0,0|1,1,0]=4 4105 B14R1.4488 CC(C)COCC(=O)c1cccn1C 34a_100000210257_200011262399 [0,2,0,0,0,0|2,0,0]=4 4106 B14R1.4488 CC(C)COCC(=O)c1sccc1Br 34a_100000210257_100000740827 [0,2,0,0,0,0|1,1,0]=4 4107 B14R1.4488 CC(C)CSCC(=O)c1cccn1C 62a_100000210624_200011262399 [0,2,0,0,0,0|2,0,0]=4 4108 B14R1.4488 CC(C)CSCC(=O)c1cccn1C 62a_200011262399_100000210760 [0,2,0,0,0,0|2,0,0]=4 4109 B14R1.4488 CC(C)CSCC(=O)c1sccc1Br 62a_100000740827_100000210760 [0,2,0,0,0,0|1,1,0]=4 4110 B14R1.4488 CC(F)COCC(=O)c1cccn1C 34a_100015925927_200011262399 [0,2,0,0,0,0|2,0,0]=4 4111 B14R1.4488 CC(F)COCC(=O)c1sccc1Br 34a_100015925927_100000740827 [0,2,0,0,0,0|1,1,0]=4 4112 B14R1.4488 CC(O)CNCC(=O)c1cccn1C 2230a_100000210904_200011262399 [0,2,0,0,0,0|2,0,0]=4 4113 B14R1.4488 CC(O)CNCC(=O)c1cccn1C 34a_100000210904_200011262399 [0,2,0,0,0,0|2,0,0]=4 4114 B14R1.4488 CC(O)CNCC(=O)c1sccc1Br 2230a_100000210904_100000740827 [0,2,0,0,0,0|1,1,0]=4 4115 B14R1.4488 CC(O)CNCC(=O)c1sccc1Br 34a_100000210904_100000740827 [0,2,0,0,0,0|1,1,0]=4 4116 B14R1.4488 CC(O)CSCC(=O)c1cccn1C 62a_100011218427_200011262399 [0,2,0,0,0,0|2,0,0]=4 4117 B14R1.4488 CC(O)CSCC(=O)c1cccn1C 62a_200011262399_100011218427 [0,2,0,0,0,0|2,0,0]=4 4118 B14R1.4488 CC(O)CSCC(=O)c1sccc1Br 62a_100000740827_100011218427 [0,2,0,0,0,0|1,1,0]=4 4119 B14R1.4488 C[C@@H](Cl)COCC(=O)c1cccn1C 34a_100016084084_200011262399 [0,2,0,0,0,0|2,0,0]=4 4120 B14R1.4488 C[C@@H](Cl)COCC(=O)c1sccc1Br 34a_100016084084_100000740827 [0,2,0,0,0,0|1,1,0]=4 4121 B14R1.4488 C[C@@H](N)COCC(=O)c1cccn1C 34a_100000737577_200011262399 [0,2,0,0,0,0|2,0,0]=4 4122 B14R1.4488 C[C@@H](N)COCC(=O)c1sccc1Br 34a_100000737577_100000740827 [0,2,0,0,0,0|1,1,0]=4 4123 B14R1.4488 C[C@@H](O)CSCC(=O)c1cccn1C 62a_100009817552_200011262399 [0,2,0,0,0,0|2,0,0]=4 4124 B14R1.4488 C[C@@H](O)CSCC(=O)c1cccn1C 62a_200011262399_100009817552 [0,2,0,0,0,0|2,0,0]=4 4125 B14R1.4488 C[C@@H](O)CSCC(=O)c1sccc1Br 62a_100000740827_100009817552 [0,2,0,0,0,0|1,1,0]=4 4126 B14R1.6458 CC(C)(C)CNCC(=O)c1cccs1 2230a_100000743828_100000211436 [0,2,0,0,0,0|1,1,0]=4 4127 B14R1.6458 CC(C)(C)CSCC(=O)c1ccc[nH]1 62a_100011219605_200011262396 [0,2,0,0,0,0|2,0,0]=4 4128 B14R1.6458 CC(C)(C)CSCC(=O)c1ccc[nH]1 62a_200011262396_100011219605 [0,2,0,0,0,0|2,0,0]=4 4129 B14R1.6458 CC(C)(C)CSCC(=O)c1ccco1 62a_100000211439_100011219605 [0,2,0,0,0,0|1,0,0]=3 4130 B14R1.6458 CC(C)(C)CSCC(=O)c1ccco1 62a_100011219605_100000211439 [0,2,0,0,0,0|1,0,0]=3 4131 B14R1.6458 CC(C)(C)CSCC(=O)c1cccs1 62a_100000211436_100011219605 [0,2,0,0,0,0|1,1,0]=4 4132 B14R1.6458 CC(C)(C)CSCC(=O)c1cccs1 62a_100011219605_100000211436 [0,2,0,0,0,0|1,1,0]=4 4133 B14R1.6458 CC(C)(C)NCCC(=O)c1cccs1 2230a_100000715429_100011290775 [0,2,0,0,0,0|1,1,0]=4 4134 B14R1.6458 CC(C)(C)OCCC(=O)c1cccs1 7a_100015890283_100011290775 [0,2,0,0,0,0|1,1,0]=4 4135 B14R1.6458 CC(C)(C)SCCC(=O)c1cccs1 62a_100000211941_100011290775 [0,2,0,0,0,0|1,1,0]=4 4136 B14R1.6458 CC(C)(C)SCCC(=O)c1cccs1 62a_100011290775_100000211941 [0,2,0,0,0,0|1,1,0]=4 4137 B14R1.6458 CC(C)(F)CNCC(=O)c1cccs1 2230a_100020643315_100000211436 [0,2,0,0,0,0|1,1,0]=4 4138 B14R1.6458 CC(C)(F)CSCC(=O)c1ccc[nH]1 62a_100011997219_200011262396 [0,2,0,0,0,0|2,0,0]=4 4139 B14R1.6458 CC(C)(F)CSCC(=O)c1ccc[nH]1 62a_200011262396_100011997219 [0,2,0,0,0,0|2,0,0]=4 4140 B14R1.6458 CC(C)(F)CSCC(=O)c1ccco1 62a_100000211439_100011997219 [0,2,0,0,0,0|1,0,0]=3 4141 B14R1.6458 CC(C)(F)CSCC(=O)c1ccco1 62a_100011997219_100000211439 [0,2,0,0,0,0|1,0,0]=3 4142 B14R1.6458 CC(C)(F)CSCC(=O)c1cccs1 62a_100000211436_100011997219 [0,2,0,0,0,0|1,1,0]=4 4143 B14R1.6458 CC(C)(F)CSCC(=O)c1cccs1 62a_100011997219_100000211436 [0,2,0,0,0,0|1,1,0]=4 4144 B14R1.6458 CC(C)(O)CNCC(=O)c1cccs1 2230a_100000751335_100000211436 [0,2,0,0,0,0|1,1,0]=4 4145 B14R1.6458 CC(C)(O)CSCC(=O)c1ccc[nH]1 62a_100000764493_200011262396 [0,2,0,0,0,0|2,0,0]=4 4146 B14R1.6458 CC(C)(O)CSCC(=O)c1ccc[nH]1 62a_200011262396_100000764493 [0,2,0,0,0,0|2,0,0]=4 4147 B14R1.6458 CC(C)(O)CSCC(=O)c1ccco1 62a_100000211439_100000764493 [0,2,0,0,0,0|1,0,0]=3 4148 B14R1.6458 CC(C)(O)CSCC(=O)c1ccco1 62a_100000764493_100000211439 [0,2,0,0,0,0|1,0,0]=3 4149 B14R1.6458 CC(C)(O)CSCC(=O)c1cccs1 62a_100000211436_100000764493 [0,2,0,0,0,0|1,1,0]=4 4150 B14R1.6458 CC(C)(O)CSCC(=O)c1cccs1 62a_100000764493_100000211436 [0,2,0,0,0,0|1,1,0]=4 4151 B14R1.6458 C[N+](C)(C)CSCC(=O)c1ccco1 62a_100000211439_200000036245 [0,2,0,0,0,0|2,0,0]=4 4152 B14R1.6458 C[N+](C)(C)CSCC(=O)c1ccco1 62a_200000036245_100000211439 [0,2,0,0,0,0|2,0,0]=4 4153 B14R1.6458 C[Si](C)(C)CSCC(=O)c1ccco1 62a_100000037933_100000211439 [0,2,0,0,0,0|1,1,0]=4 4154 B14R1.6458 C[Si](C)(C)CSCC(=O)c1ccco1 62a_100000211439_100000037933 [0,2,0,0,0,0|1,1,0]=4 4155 B14R1.6458 O=C(CSCC(F)(F)F)c1ccco1 62a_100000211439_100000763148 [0,2,0,0,0,0|2,0,0]=4 4156 B14R1.6458 O=C(CSCC(F)(F)F)c1ccco1 62a_100000763148_100000211439 [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,0,1,1,0,0|2,0,0]=4 4158 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,0,1,1,0,0|2,0,0]=4 4159 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [0,0,1,1,0,0|2,0,0]=4 4160 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,0,1,1,0,0|2,0,0]=4 4161 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,0,1,1,0,0|2,0,0]=4 4162 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,0,1,1,0,0|2,0,0]=4 4163 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,0,1,1,0,0|2,0,0]=4 4164 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,0,1,1,0,0|2,0,0]=4 4165 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,0,1,1,0,0|2,0,0]=4 4166 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,0,1,1,0,0|2,0,0]=4 4167 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,0,1,1,0,0|2,0,0]=4 4168 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,0,1,1,0,0|2,0,0]=4 4169 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,0,1,1,0,0|2,0,0]=4 4170 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,0,1,1,0,0|2,0,0]=4 4171 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,0,1,1,0,0|2,0,0]=4 4172 B12R1.483 C/C=C/C=CC(=O)CC1CCC1 1458a_100000185730_100000763275 [0,0,1,1,0,0|1,0,0]=3 4173 B12R1.483 C/C=C/C=CC(=O)CC1CCO1 1458a_100000185730_100000103362 [0,0,1,1,0,0|2,0,0]=4 4174 B12R1.483 C/C=C/C=CC(=O)CC1COC1 1458a_100000185730_100010264016 [0,0,1,1,0,0|2,0,0]=4 4175 B12R1.483 C/C=C/C=CC(=O)NC1CCC1 11a_100000749019_100000185730 [0,0,1,1,0,0|2,0,0]=4 4176 B12R1.483 C/C=C/C=CC(=O)NC1CCC1 1626a_100000749019_100000185730 [0,0,1,1,0,0|2,0,0]=4 4177 B12R1.483 C/C=C/C=CC(=O)NC1CCC1 240690a_100000749019_100000185730 [0,0,1,1,0,0|2,0,0]=4 4178 B12R1.484 C/C=C/C=CC(=O)CCC1CC1 1458a_100000185730_100000694398 [0,0,1,1,0,0|1,0,0]=3 4179 B12R1.484 C/C=C/C=CC(=O)CCC1CO1 1458a_100000185730_100000732470 [0,0,1,1,0,0|2,0,0]=4 4180 B12R1.484 C/C=C/C=CC(=O)NCC1CC1 11a_100000735609_100000185730 [0,0,1,1,0,0|2,0,0]=4 4181 B12R1.484 C/C=C/C=CC(=O)NCC1CC1 1626a_100000735609_100000185730 [0,0,1,1,0,0|2,0,0]=4 4182 B12R1.484 C/C=C/C=CC(=O)NCC1CC1 240690a_100000735609_100000185730 [0,0,1,1,0,0|2,0,0]=4 4183 B12R1.1631 CCCCc1c(cccc1Br)O 271570a_100020621405_100010187912 [0,0,1,1,0,0|1,0,1]=4 4184 B12R1.1631 CCCCc1c(cccc1Cl)O 271570a_100020621405_100000050174 [0,0,1,1,0,0|1,0,1]=4 4185 B12R1.1631 CCCCc1c(cccc1F)O 271570a_100020621405_100009820682 [0,0,1,1,0,0|1,0,1]=4 4186 B12R1.1631 CCCCc1c(cccc1O)C 271570a_100020621405_100000686692 [0,0,1,1,0,0|1,0,1]=4 4187 B12R1.1631 CCCCc1c(cccc1O)N 271570a_100020621405_100012183704 [0,0,1,1,0,0|1,0,1]=4 4188 B12R1.1631 CCCCc1c(cccc1O)O 271570a_100020621405_100010205330 [0,0,1,1,0,0|0,0,2]=4 4189 B12R1.25 CCCCc1cccc(c1Br)O 271570a_100020621405_100010187914 [0,0,1,1,0,0|1,0,1]=4 4190 B12R1.25 CCCCc1cccc(c1C)O 271570a_100020621405_100012002258 [0,0,1,1,0,0|1,0,1]=4 4191 B12R1.25 CCCCc1cccc(c1Cl)O 271570a_100020621405_100000049636 [0,0,1,1,0,0|1,0,1]=4 4192 B12R1.25 CCCCc1cccc(c1F)O 271570a_100020621405_100009817021 [0,0,1,1,0,0|1,0,1]=4 4193 B12R1.25 CCCCc1cccc(c1N)O 271570a_100020621405_100011934926 [0,0,1,1,0,0|1,0,1]=4 4194 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [0,0,1,1,0,0|0,0,2]=4 4195 B12R1.267 CCCCCc1ncncc1O 271570a_203496583355_100009816991 [0,0,1,1,0,0|2,0,0]=4 4196 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,0,1,1,0,0|2,0,0]=4 4197 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,0,1,1,0,0|2,0,0]=4 4198 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,0,1,1,0,0|2,0,0]=4 4199 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,0,1,1,0,0|2,0,0]=4 4200 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [0,0,1,1,0,0|2,0,0]=4 4201 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [0,0,1,1,0,0|2,0,0]=4 4202 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,0,1,1,0,0|2,0,0]=4 4203 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,0,1,1,0,0|2,0,0]=4 4204 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,0,1,1,0,0|2,0,0]=4 4205 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,0,1,1,0,0|2,0,0]=4 4206 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [0,0,1,1,0,0|2,0,0]=4 4207 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [0,0,1,1,0,0|2,0,0]=4 4208 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,0,1,1,0,0|2,0,0]=4 4209 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,0,1,1,0,0|2,0,0]=4 4210 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,0,1,1,0,0|2,0,0]=4 4211 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,0,1,1,0,0|2,0,0]=4 4212 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,0,1,1,0,0|2,0,0]=4 4213 B12R2.2 C1=C(CCCC1)c2ccco2 271570a_100000062251_100009814098 [1,0,0,1,0,0|0,0,1]=3 4214 B12R2.2 C1=C(CCCC1)c2cccs2 271570a_100000062251_100011215356 [1,0,0,1,0,0|0,1,1]=4 4215 B12R2.2 C1=C(CCCC1)c2cnco2 271570a_100000062251_100020591547 [1,0,0,1,0,0|1,0,1]=4 4216 B12R2.2 C1=C(CCCC1)c2ncco2 271570a_100000062251_100011787736 [1,0,0,1,0,0|1,0,1]=4 4217 B12R2.2 C1=C(CCCO1)c2ccco2 271570a_100010175576_100009814098 [1,0,0,1,0,0|1,0,1]=4 4218 B12R2.2 C1=C(CCNC1)c2ccco2 271570a_100000731432_100009814098 [1,0,0,1,0,0|1,0,1]=4 4219 B12R2.2 C1=C(CCOC1)c2ccco2 271570a_100000070234_100009814098 [1,0,0,1,0,0|1,0,1]=4 4220 B12R2.2 C1=C(CCSC1)c2ccco2 271570a_100010232141_100009814098 [1,0,0,1,0,0|1,0,1]=4 4221 B12R2.2 C1=C(OCCC1)c2ccco2 271570a_100010177797_100009814098 [1,0,0,1,0,0|1,0,1]=4 4222 B12R2.10 CN1CCCC1c2ccco2 2230a_100011206061_200000210301 [1,0,0,1,0,0|1,0,1]=4 4223 B12R2.10 CN1CCCC1c2ccco2 269982a_100011206061_200000210301 [1,0,0,1,0,0|1,0,1]=4 4224 B12R2.10 [13CH3]N1CCCC1c2ccco2 2230a_100011206061_200025704644 [1,0,0,1,0,0|1,0,1]=4 4225 B12R2.10 [13CH3]N1CCCC1c2ccco2 269982a_100011206061_200025704644 [1,0,0,1,0,0|1,0,1]=4 4226 B12R2.98 C(=C1CCCC1)c2ccco2 271570a_100010378317_100009814098 [1,0,0,1,0,0|0,0,1]=3 4227 B12R2.98 C(=C1CCCC1)c2cccs2 271570a_100010378317_100011215356 [1,0,0,1,0,0|0,1,1]=4 4228 B12R2.98 C(=C1CCCC1)c2cnco2 271570a_100010378317_100020591547 [1,0,0,1,0,0|1,0,1]=4 4229 B12R2.98 C(=C1CCCC1)c2ncco2 271570a_100010378317_100011787736 [1,0,0,1,0,0|1,0,1]=4 4230 B12R2.98 c1coc(c1)CN2CCCC2 270004a_100000188435_100000186105 [1,0,0,1,0,0|1,0,1]=4 4231 B12R2.98 c1coc(c1)SC2CCCC2 62a_100009814098_100000179811 [1,0,0,1,0,0|1,0,0]=3 4232 B12R2.98 c1coc(c1)SC2CCCC2 62a_100011217020_100009814098 [1,0,0,1,0,0|1,0,0]=3 4233 B12R2.98 c1coc(c1)SC2CCOC2 62a_100009814098_100000690089 [1,0,0,1,0,0|2,0,0]=4 4234 B12R2.98 c1coc(n1)SC2CCCC2 62a_100011217020_100011787736 [1,0,0,1,0,0|2,0,0]=4 4235 B12R2.98 c1coc(n1)SC2CCCC2 62a_100011787736_100000179811 [1,0,0,1,0,0|2,0,0]=4 4236 B12R2.98 c1csc(c1)SC2CCCC2 62a_100011215356_100000179811 [1,0,0,1,0,0|1,1,0]=4 4237 B12R2.98 c1csc(c1)SC2CCCC2 62a_100011217020_100011215356 [1,0,0,1,0,0|1,1,0]=4 4238 B12R2.98 c1ncc(o1)SC2CCCC2 62a_100011217020_100020591547 [1,0,0,1,0,0|2,0,0]=4 4239 B12R2.98 c1ncc(o1)SC2CCCC2 62a_100020591547_100000179811 [1,0,0,1,0,0|2,0,0]=4 4240 B12R2.315 CNC1CCCc2c1cco2 269862a_106832991636_100000744050 [1,0,0,1,0,0|1,0,1]=4 4241 B12R2.2056 c1coc(c1)CNC2CCC2 270004a_100000185738_100000241760 [1,0,0,1,0,0|1,0,1]=4 4242 B12R2.2056 c1coc(c1)CNC2CCC2 34a_100000185738_100000749161 [1,0,0,1,0,0|1,0,1]=4 4243 B12R2.2056 c1coc(c1)COC2CCC2 34a_100000210059_100000749161 [1,0,0,1,0,0|1,0,1]=4 4244 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100000763275_100009814098 [1,0,0,1,0,0|1,0,0]=3 4245 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100009814098_100000763275 [1,0,0,1,0,0|1,0,0]=3 4246 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100000103362_100009814098 [1,0,0,1,0,0|2,0,0]=4 4247 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100009814098_100000103362 [1,0,0,1,0,0|2,0,0]=4 4248 B12R2.2056 c1coc(c1)SCC2COC2 62a_100009814098_100010264016 [1,0,0,1,0,0|2,0,0]=4 4249 B12R2.2056 c1coc(c1)SCC2COC2 62a_100010264016_100009814098 [1,0,0,1,0,0|2,0,0]=4 4250 B12R2.2056 c1coc(n1)SCC2CCC2 62a_100000763275_100011787736 [1,0,0,1,0,0|2,0,0]=4 4251 B12R2.2056 c1coc(n1)SCC2CCC2 62a_100011787736_100000763275 [1,0,0,1,0,0|2,0,0]=4 4252 B12R2.2056 c1csc(c1)SCC2CCC2 62a_100000763275_100011215356 [1,0,0,1,0,0|1,1,0]=4 4253 B12R2.2056 c1csc(c1)SCC2CCC2 62a_100011215356_100000763275 [1,0,0,1,0,0|1,1,0]=4 4254 B12R2.2056 c1ncc(o1)SCC2CCC2 62a_100000763275_100020591547 [1,0,0,1,0,0|2,0,0]=4 4255 B12R2.2056 c1ncc(o1)SCC2CCC2 62a_100020591547_100000763275 [1,0,0,1,0,0|2,0,0]=4 4256 B12R2.2383 C(=NNC1CC1)c2ccco2 4a_100000701032_100000186105 [1,0,0,1,0,0|2,0,0]=4 4257 B12R2.2383 c1coc(c1)CCNC2CC2 34a_100000694680_100000211595 [1,0,0,1,0,0|1,0,1]=4 4258 B12R2.2383 c1coc(c1)CNCC2CC2 207a_100000735609_100000186105 [1,0,0,1,0,0|1,0,1]=4 4259 B12R2.2383 c1coc(c1)CNCC2CC2 2230a_100000185738_100000742324 [1,0,0,1,0,0|1,0,1]=4 4260 B12R2.2383 c1coc(c1)CNCC2CC2 270004a_100000735609_100000186105 [1,0,0,1,0,0|1,0,1]=4 4261 B12R2.2383 c1coc(c1)CNCC2CC2 34a_100000185738_100000742324 [1,0,0,1,0,0|1,0,1]=4 4262 B12R2.2383 c1coc(c1)COCC2CC2 34a_100000210059_100000742324 [1,0,0,1,0,0|1,0,1]=4 4263 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100000764125_100009814098 [1,0,0,1,0,0|1,0,0]=3 4264 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100009814098_100000764125 [1,0,0,1,0,0|1,0,0]=3 4265 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100000732470_100009814098 [1,0,0,1,0,0|2,0,0]=4 4266 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100009814098_100000732470 [1,0,0,1,0,0|2,0,0]=4 4267 B12R2.2383 c1coc(n1)SCCC2CC2 62a_100000764125_100011787736 [1,0,0,1,0,0|2,0,0]=4 4268 B12R2.2383 c1coc(n1)SCCC2CC2 62a_100011787736_100000764125 [1,0,0,1,0,0|2,0,0]=4 4269 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100000764125_100011215356 [1,0,0,1,0,0|1,1,0]=4 4270 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100011215356_100000764125 [1,0,0,1,0,0|1,1,0]=4 4271 B12R2.2383 c1ncc(o1)SCCC2CC2 62a_100000764125_100020591547 [1,0,0,1,0,0|2,0,0]=4 4272 B12R2.2383 c1ncc(o1)SCCC2CC2 62a_100020591547_100000764125 [1,0,0,1,0,0|2,0,0]=4 4273 B14R2.114 O=C(C1=CCCCO1)C2CCCC2 1458a_100000764163_100000179811 [0,0,0,1,0,1|0,0,2]=4 4274 B14R2.114 O=C(C1=COCCO1)C2CCCC2 1458a_100000008702_100000179811 [0,0,0,1,0,1|0,0,2]=4 4275 B14R2.114 O=C(c1ccccc1)C2CCCC2 1458a_100000185807_100000179811 [0,0,0,1,0,1|1,0,0]=3 4276 B14R2.114 O=C(c1ccccc1)C2CCOC2 1458a_100000185807_100000690089 [0,0,0,1,0,1|2,0,0]=4 4277 B14R2.114 O=C(c1ccccc1)N2CCCC2 240690a_100000188435_100000185807 [0,0,0,1,0,1|2,0,0]=4 4278 B14R2.114 O=C(c1ccccc1)N2CCCC2 527a_100000188435_100000185807 [0,0,0,1,0,1|2,0,0]=4 4279 B14R2.335 CC1CCN1C(=O)c2ccccc2 11a_100000755817_100000185807 [0,0,0,1,0,1|2,0,0]=4 4280 B14R2.335 CC1CCN1C(=O)c2ccccc2 240690a_100000755817_100000185807 [0,0,0,1,0,1|2,0,0]=4 4281 B14R2.335 CC1CCN1C(=O)c2ccccc2 527a_100000755817_100000185807 [0,0,0,1,0,1|2,0,0]=4 4282 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [0,0,0,1,0,1|2,0,0]=4 4283 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100000210202_100010208147 [0,0,0,1,0,1|2,0,0]=4 4284 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210202 [0,0,0,1,0,1|2,0,0]=4 4285 B14R2.792 O=C(CCC1CC1)C2=CCCCO2 1458a_100000764163_100000694398 [0,0,0,1,0,1|0,0,2]=4 4286 B14R2.792 O=C(CCC1CC1)C2=COCCO2 1458a_100000008702_100000694398 [0,0,0,1,0,1|0,0,2]=4 4287 B14R2.792 O=C(CCC1CC1)c2ccccc2 1458a_100000185807_100000694398 [0,0,0,1,0,1|1,0,0]=3 4288 B14R2.792 O=C(CCC1CO1)c2ccccc2 1458a_100000185807_100000732470 [0,0,0,1,0,1|2,0,0]=4 4289 B14R2.792 O=C(CNC1CC1)c2ccccn2 34a_100000212008_100000027445 [0,0,0,1,0,1|2,0,0]=4 4290 B14R2.792 O=C(CSC1CC1)c2ccccc2 62a_100000211460_100000211595 [0,0,0,1,0,1|2,0,0]=4 4291 B14R2.792 O=C(CSC1CC1)c2ccccn2 62a_100000027445_100000211595 [0,0,0,1,0,1|2,0,0]=4 4292 B14R2.792 O=C(CSC1CC1)c2cccnc2 62a_100000757877_100000211595 [0,0,0,1,0,1|2,0,0]=4 4293 B14R2.792 O=C(CSC1CC1)c2ccncc2 62a_100000027454_100000211595 [0,0,0,1,0,1|2,0,0]=4 4294 B14R2.792 O=C(CSC1CC1)c2ncccn2 62a_100020636365_100000211595 [0,0,0,1,0,1|2,0,0]=4 4295 B14R2.792 O=C(NCC1CC1)c2ccccc2 11a_100000735609_100000185807 [0,0,0,1,0,1|2,0,0]=4 4296 B14R2.792 O=C(NCC1CC1)c2ccccc2 1626a_100000735609_100000185807 [0,0,0,1,0,1|2,0,0]=4 4297 B14R2.792 O=C(NCC1CC1)c2ccccc2 240690a_100000735609_100000185807 [0,0,0,1,0,1|2,0,0]=4 4298 B14R2.792 O=C(NCC1CC1)c2ccccc2 527a_100000735609_100000185807 [0,0,0,1,0,1|2,0,0]=4 4299 B14R2.794 O=C(CC1CCC1)C2=CCCCO2 1458a_100000764163_100000763275 [0,0,0,1,0,1|0,0,2]=4 4300 B14R2.794 O=C(CC1CCC1)C2=COCCO2 1458a_100000008702_100000763275 [0,0,0,1,0,1|0,0,2]=4 4301 B14R2.794 O=C(CC1CCC1)c2ccccc2 1458a_100000185807_100000763275 [0,0,0,1,0,1|1,0,0]=3 4302 B14R2.794 O=C(CC1CCO1)c2ccccc2 1458a_100000185807_100000103362 [0,0,0,1,0,1|2,0,0]=4 4303 B14R2.794 O=C(CC1COC1)c2ccccc2 1458a_100000185807_100010264016 [0,0,0,1,0,1|2,0,0]=4 4304 B14R2.794 O=C(CN1CCC1)c2ccccc2 269982a_100000754969_100000211460 [0,0,0,1,0,1|2,0,0]=4 4305 B14R2.794 O=C(CN1CCC1)c2ccccn2 269982a_100000754969_100000027445 [0,0,0,1,0,1|2,0,0]=4 4306 B14R2.794 O=C(CN1CCC1)c2cccnc2 269982a_100000754969_100000757877 [0,0,0,1,0,1|2,0,0]=4 4307 B14R2.794 O=C(CN1CCC1)c2ccncc2 269982a_100000754969_100000027454 [0,0,0,1,0,1|2,0,0]=4 4308 B14R2.794 O=C(NC1CCC1)c2ccccc2 11a_100000749019_100000185807 [0,0,0,1,0,1|2,0,0]=4 4309 B14R2.794 O=C(NC1CCC1)c2ccccc2 1626a_100000749019_100000185807 [0,0,0,1,0,1|2,0,0]=4 4310 B14R2.794 O=C(NC1CCC1)c2ccccc2 240690a_100000749019_100000185807 [0,0,0,1,0,1|2,0,0]=4 4311 B14R2.794 O=C(NC1CCC1)c2ccccc2 527a_100000749019_100000185807 [0,0,0,1,0,1|2,0,0]=4 4312 B14R2.1131 COC1CCC(=O)c2c1cccc2 7a_100000100557_200000210301 [0,0,0,1,0,1|2,0,0]=4 4313 B14R2.1131 [13CH3]OC1CCC(=O)c2c1cccc2 7a_100000100557_200025704644 [0,0,0,1,0,1|2,0,0]=4 4314 B14R2.1253 C1=C(CCCCC1)c2ccccc2 271570a_200009888920_100000210277 [0,0,0,1,0,1|2,0,0]=4 4315 B14R2.1253 C1=C(CCCCC1)c2ccccn2 271570a_200009888920_100011216584 [0,0,0,1,0,1|2,0,0]=4 4316 B14R2.1253 C1=C(CCCCC1)c2cccnc2 271570a_200009888920_100000752921 [0,0,0,1,0,1|2,0,0]=4 4317 B14R2.1253 C1=C(CCCCC1)c2cccnn2 271570a_200009888920_100016991348 [0,0,0,1,0,1|2,0,0]=4 4318 B14R2.1253 C1=C(CCCCC1)c2ccncc2 271570a_200009888920_100000035832 [0,0,0,1,0,1|2,0,0]=4 4319 B14R2.1253 C1=C(CCCCC1)c2ccncn2 271570a_200009888920_100000703185 [0,0,0,1,0,1|2,0,0]=4 4320 B14R2.1253 C1=C(CCCCC1)c2cnccn2 271570a_200009888920_100000758340 [0,0,0,1,0,1|2,0,0]=4 4321 B14R2.1253 C1=C(CCCCC1)c2ncccn2 271570a_200009888920_100000211032 [0,0,0,1,0,1|2,0,0]=4 4322 B14R2.48 CN1CCCCCC1c2ccco2 2230a_100000758039_200000210301 [0,0,0,1,0,1|2,0,0]=4 4323 B14R2.48 CN1CCCCCC1c2ccco2 269982a_100000758039_200000210301 [0,0,0,1,0,1|2,0,0]=4 4324 B14R2.48 CN1CCCCCC1c2ccco2 34a_100000758039_200000210301 [0,0,0,1,0,1|2,0,0]=4 4325 B14R2.48 [13CH3]N1CCCCCC1c2ccco2 2230a_100000758039_200025704644 [0,0,0,1,0,1|2,0,0]=4 4326 B14R2.48 [13CH3]N1CCCCCC1c2ccco2 269982a_100000758039_200025704644 [0,0,0,1,0,1|2,0,0]=4 4327 B14R2.48 [13CH3]N1CCCCCC1c2ccco2 34a_100000758039_200025704644 [0,0,0,1,0,1|2,0,0]=4 4328 B14R2.357 O=C(Cc1ccco1)N[C@@H]2C[C@@H]2F 527a_100015190264_100011217309 [0,0,0,1,0,1|2,0,0]=4 4329 B14R2.357 O=C(Cc1ccco1)N[C@@H]2C[C@H]2F 11a_100025746932_100011217309 [0,0,0,1,0,1|2,0,0]=4 4330 B14R2.357 O=C(Cc1ccco1)N[C@@H]2C[C@H]2F 527a_100025746932_100011217309 [0,0,0,1,0,1|2,0,0]=4 4331 B14R2.716 C[C@H]1CCCN(C1)Cc2ccco2 270004a_100000717927_100000186105 [0,0,0,1,0,1|2,0,0]=4 4332 B14R2.731 CC1CCN1C(=O)Cc2ccc[nH]2 11a_100000755817_100000238377 [0,0,0,1,0,1|2,0,0]=4 4333 B14R2.731 CC1CCN1C(=O)Cc2ccc[nH]2 240690a_100000755817_100000238377 [0,0,0,1,0,1|2,0,0]=4 4334 B14R2.731 CC1CCN1C(=O)Cc2ccc[nH]2 527a_100000755817_100000238377 [0,0,0,1,0,1|2,0,0]=4 4335 B14R2.731 CC1CCN1C(=O)Cc2ccco2 11a_100000755817_100011217309 [0,0,0,1,0,1|1,0,0]=3 4336 B14R2.731 CC1CCN1C(=O)Cc2ccco2 527a_100000755817_100011217309 [0,0,0,1,0,1|1,0,0]=3 4337 B14R2.731 CC1CCN1C(=O)Cc2cccs2 11a_100000755817_100000210189 [0,0,0,1,0,1|1,1,0]=4 4338 B14R2.731 CC1CCN1C(=O)Cc2cccs2 240690a_100000755817_100000210189 [0,0,0,1,0,1|1,1,0]=4 4339 B14R2.731 O=C1CCC1C(=O)Cc2ccco2 1458a_100011217309_100009892977 [0,0,0,1,0,1|1,0,1]=4 4340 B14R2.793 CN(Cc1ccco1)C2CCCC2 2230a_100000185268_100000179811 [0,0,0,1,0,1|2,0,0]=4 4341 B14R2.793 CN(Cc1ccco1)C2CCCC2 269982a_100000185268_100000179811 [0,0,0,1,0,1|2,0,0]=4 4342 B14R2.793 CN(Cc1ccco1)C2CCCC2 270004a_100000185268_100000210133 [0,0,0,1,0,1|2,0,0]=4 4343 B14R2.793 CN(Cc1ccco1)C2CCCC2 270004a_100000207505_100000186105 [0,0,0,1,0,1|2,0,0]=4 4344 B14R2.793 O=C(Cc1c[nH]cn1)C2CCCC2 1458a_100000210718_100000707719 [0,0,0,1,0,1|2,0,0]=4 4345 B14R2.793 O=C(Cc1c[nH]cn1)C2CCCC2 1458a_100015291406_100000179811 [0,0,0,1,0,1|2,0,0]=4 4346 B14R2.793 O=C(Cc1ccc[nH]1)C2CCCC2 1458a_100000238377_100000179811 [0,0,0,1,0,1|1,0,0]=3 4347 B14R2.793 O=C(Cc1ccc[nH]1)C2CCOC2 1458a_100000238377_100000690089 [0,0,0,1,0,1|2,0,0]=4 4348 B14R2.793 O=C(Cc1ccc[nH]1)N2CCCC2 240690a_100000188435_100000238377 [0,0,0,1,0,1|2,0,0]=4 4349 B14R2.793 O=C(Cc1ccc[nH]1)N2CCCC2 527a_100000188435_100000238377 [0,0,0,1,0,1|2,0,0]=4 4350 B14R2.793 O=C(Cc1ccco1)C2CCCC2 1458a_100011217309_100000179811 [0,0,0,1,0,1|0,0,0]=2 4351 B14R2.793 O=C(Cc1ccco1)C2CCOC2 1458a_100011217309_100000690089 [0,0,0,1,0,1|1,0,0]=3 4352 B14R2.793 O=C(Cc1ccco1)N2CCCC2 527a_100000188435_100011217309 [0,0,0,1,0,1|1,0,0]=3 4353 B14R2.793 O=C(Cc1ccco1)N2CCSC2 11a_100011215254_100011217309 [0,0,0,1,0,1|2,0,0]=4 4354 B14R2.793 O=C(Cc1ccco1)N2CCSC2 527a_100011215254_100011217309 [0,0,0,1,0,1|2,0,0]=4 4355 B14R2.793 O=C(Cc1cccs1)C2CCCC2 1458a_100000210189_100000179811 [0,0,0,1,0,1|0,1,0]=3 4356 B14R2.793 O=C(Cc1cccs1)C2CCOC2 1458a_100000210189_100000690089 [0,0,0,1,0,1|1,1,0]=4 4357 B14R2.793 O=C(Cc1cccs1)N2CCCC2 240690a_100000188435_100000210189 [0,0,0,1,0,1|1,1,0]=4 4358 B14R2.793 O=C(Cc1ccn[nH]1)C2CCCC2 1458a_100000210718_100000728653 [0,0,0,1,0,1|2,0,0]=4 4359 B14R2.793 O=C(Cc1ccn[nH]1)C2CCCC2 1458a_100000752941_100000179811 [0,0,0,1,0,1|2,0,0]=4 4360 B14R2.793 O=C(Cc1ccoc1)C2CCCC2 1458a_100000684892_100000179811 [0,0,0,1,0,1|2,0,0]=4 4361 B14R2.793 O=C(Cc1ccon1)C2CCCC2 1458a_100000210718_100000234950 [0,0,0,1,0,1|2,0,0]=4 4362 B14R2.793 O=C(Cc1ccsc1)C2CCCC2 1458a_100000184062_100000179811 [0,0,0,1,0,1|2,0,0]=4 4363 B14R2.793 O=C(Cc1ccsc1)C2CCCC2 1458a_100000210718_100011233845 [0,0,0,1,0,1|2,0,0]=4 4364 B14R2.793 O=C(Cc1cncs1)C2CCCC2 1458a_100000210718_100015185245 [0,0,0,1,0,1|1,1,0]=4 4365 B14R2.793 O=C(Cc1cscn1)C2CCCC2 1458a_100000210718_100000205941 [0,0,0,1,0,1|2,0,0]=4 4366 B14R2.793 O=C(Cc1cscn1)C2CCCC2 1458a_100011438297_100000179811 [0,0,0,1,0,1|2,0,0]=4 4367 B14R2.793 O=C(Cc1ncco1)C2CCCC2 1458a_100000210718_103436540062 [0,0,0,1,0,1|1,0,0]=3 4368 B14R2.793 O=C(Cc1ncco1)C2CCCS2 1458a_100012002731_103436540062 [0,0,0,1,0,1|2,0,0]=4 4369 B14R2.793 O=C(Cc1ncco1)C2CCOC2 1458a_100011219752_103436540062 [0,0,0,1,0,1|2,0,0]=4 4370 B14R2.793 O=C(Cc1ncco1)[C@@H]2CCCO2 1458a_100000686382_103436540062 [0,0,0,1,0,1|2,0,0]=4 4371 B14R2.793 O=C(Cc1nccs1)C2CCCC2 1458a_100000210718_100015184050 [0,0,0,1,0,1|1,1,0]=4 4372 B14R2.793 O=C(Cn1cccc1)C2CCCC2 1458a_100011196272_100000179811 [0,0,0,1,0,1|2,0,0]=4 4373 B14R2.793 O=C(Cn1cccn1)C2CCCC2 1458a_100000233772_100000179811 [0,0,0,1,0,1|2,0,0]=4 4374 B14R2.1046 CCC1CC1C(=O)Cc2c[nH]cn2 1458a_200011661523_100000707719 [0,0,0,1,0,1|2,0,0]=4 4375 B14R2.1046 CCC1CC1C(=O)Cc2ccn[nH]2 1458a_200011661523_100000728653 [0,0,0,1,0,1|2,0,0]=4 4376 B14R2.1046 CCC1CC1C(=O)Cc2ccon2 1458a_200011661523_100000234950 [0,0,0,1,0,1|2,0,0]=4 4377 B14R2.1046 CCC1CC1C(=O)Cc2ccsc2 1458a_200011661523_100011233845 [0,0,0,1,0,1|2,0,0]=4 4378 B14R2.1046 CCC1CC1C(=O)Cc2cncs2 1458a_200011661523_100015185245 [0,0,0,1,0,1|1,1,0]=4 4379 B14R2.1046 CCC1CC1C(=O)Cc2cscn2 1458a_200011661523_100000205941 [0,0,0,1,0,1|2,0,0]=4 4380 B14R2.1046 CCC1CC1C(=O)Cc2ncco2 1458a_200011661523_103436540062 [0,0,0,1,0,1|1,0,0]=3 4381 B14R2.1046 CCC1CC1C(=O)Cc2nccs2 1458a_200011661523_100015184050 [0,0,0,1,0,1|1,1,0]=4 4382 B14R2.2840 c1coc(c1)CN2CCCCCC2 270004a_100000185865_100000186105 [0,0,0,1,0,1|2,0,0]=4 4383 B14R2.2840 c1coc(c1)SC2CCCCCC2 62a_100009814098_100011217769 [0,0,0,1,0,1|1,0,1]=4 4384 B14R2.2840 c1coc(c1)SC2CCCCCC2 62a_100011217769_100009814098 [0,0,0,1,0,1|1,0,1]=4 4385 B14R2.9599 CN(CCC1CC1)Cc2ccco2 2230a_100000185268_100000694398 [0,0,0,1,0,1|2,0,0]=4 4386 B14R2.9599 CN(CCC1CC1)Cc2ccco2 269982a_100000185268_100000694398 [0,0,0,1,0,1|2,0,0]=4 4387 B14R2.9599 O=C(CCC1CC1)Cc2c[nH]cn2 1458a_100000756386_100000707719 [0,0,0,1,0,1|2,0,0]=4 4388 B14R2.9599 O=C(CCC1CC1)Cc2c[nH]cn2 1458a_100015291406_100000694398 [0,0,0,1,0,1|2,0,0]=4 4389 B14R2.9599 O=C(CCC1CC1)Cc2ccc[nH]2 1458a_100000238377_100000694398 [0,0,0,1,0,1|1,0,0]=3 4390 B14R2.9599 O=C(CCC1CC1)Cc2ccco2 1458a_100011217309_100000694398 [0,0,0,1,0,1|0,0,0]=2 4391 B14R2.9599 O=C(CCC1CC1)Cc2cccs2 1458a_100000210189_100000694398 [0,0,0,1,0,1|0,1,0]=3 4392 B14R2.9599 O=C(CCC1CC1)Cc2ccn[nH]2 1458a_100000752941_100000694398 [0,0,0,1,0,1|2,0,0]=4 4393 B14R2.9599 O=C(CCC1CC1)Cc2ccn[nH]2 1458a_100000756386_100000728653 [0,0,0,1,0,1|2,0,0]=4 4394 B14R2.9599 O=C(CCC1CC1)Cc2ccoc2 1458a_100000684892_100000694398 [0,0,0,1,0,1|2,0,0]=4 4395 B14R2.9599 O=C(CCC1CC1)Cc2ccon2 1458a_100000756386_100000234950 [0,0,0,1,0,1|2,0,0]=4 4396 B14R2.9599 O=C(CCC1CC1)Cc2ccsc2 1458a_100000184062_100000694398 [0,0,0,1,0,1|2,0,0]=4 4397 B14R2.9599 O=C(CCC1CC1)Cc2ccsc2 1458a_100000756386_100011233845 [0,0,0,1,0,1|2,0,0]=4 4398 B14R2.9599 O=C(CCC1CC1)Cc2cncs2 1458a_100000756386_100015185245 [0,0,0,1,0,1|1,1,0]=4 4399 B14R2.9599 O=C(CCC1CC1)Cc2cscn2 1458a_100000756386_100000205941 [0,0,0,1,0,1|2,0,0]=4 4400 B14R2.9599 O=C(CCC1CC1)Cc2cscn2 1458a_100011438297_100000694398 [0,0,0,1,0,1|2,0,0]=4 4401 B14R2.9599 O=C(CCC1CC1)Cc2ncco2 1458a_100000756386_103436540062 [0,0,0,1,0,1|1,0,0]=3 4402 B14R2.9599 O=C(CCC1CC1)Cc2nccs2 1458a_100000756386_100015184050 [0,0,0,1,0,1|1,1,0]=4 4403 B14R2.9599 O=C(CCC1CC1)Cn2cccc2 1458a_100011196272_100000694398 [0,0,0,1,0,1|2,0,0]=4 4404 B14R2.9599 O=C(CCC1CC1)Cn2cccn2 1458a_100000233772_100000694398 [0,0,0,1,0,1|2,0,0]=4 4405 B14R2.9599 O=C(CCC1CO1)Cc2ccc[nH]2 1458a_100000238377_100000732470 [0,0,0,1,0,1|2,0,0]=4 4406 B14R2.9599 O=C(CCC1CO1)Cc2ccco2 1458a_100011217309_100000732470 [0,0,0,1,0,1|1,0,0]=3 4407 B14R2.9599 O=C(CCC1CO1)Cc2cccs2 1458a_100000210189_100000732470 [0,0,0,1,0,1|1,1,0]=4 4408 B14R2.9599 O=C(Cc1ccc[nH]1)NCC2CC2 11a_100000735609_100000238377 [0,0,0,1,0,1|2,0,0]=4 4409 B14R2.9599 O=C(Cc1ccc[nH]1)NCC2CC2 240690a_100000735609_100000238377 [0,0,0,1,0,1|2,0,0]=4 4410 B14R2.9599 O=C(Cc1ccc[nH]1)NCC2CC2 527a_100000735609_100000238377 [0,0,0,1,0,1|2,0,0]=4 4411 B14R2.9599 O=C(Cc1ccco1)NCC2CC2 11a_100000735609_100011217309 [0,0,0,1,0,1|1,0,0]=3 4412 B14R2.9599 O=C(Cc1ccco1)NCC2CC2 527a_100000735609_100011217309 [0,0,0,1,0,1|1,0,0]=3 4413 B14R2.9599 O=C(Cc1ccco1)NNC2CC2 22a_100000701032_100011217309 [0,0,0,1,0,1|2,0,0]=4 4414 B14R2.9599 O=C(Cc1cccs1)NCC2CC2 11a_100000735609_100000210189 [0,0,0,1,0,1|1,1,0]=4 4415 B14R2.9599 O=C(Cc1cccs1)NCC2CC2 1626a_100000735609_100000210189 [0,0,0,1,0,1|1,1,0]=4 4416 B14R2.9599 O=C(Cc1cccs1)NCC2CC2 240690a_100000735609_100000210189 [0,0,0,1,0,1|1,1,0]=4 4417 B14R2.31918 CN(Cc1ccco1)CC2CCC2 2230a_100000185268_100000763275 [0,0,0,1,0,1|2,0,0]=4 4418 B14R2.31918 CN(Cc1ccco1)CC2CCC2 269982a_100000185268_100000763275 [0,0,0,1,0,1|2,0,0]=4 4419 B14R2.31918 CN(Cc1ccco1)CC2CCC2 270004a_200000750244_100000186105 [0,0,0,1,0,1|2,0,0]=4 4420 B14R2.31918 O=C(CC1CCC1)Cn2cccc2 1458a_100011196272_100000763275 [0,0,0,1,0,1|2,0,0]=4 4421 B14R2.31918 O=C(CC1CCC1)Cn2cccn2 1458a_100000233772_100000763275 [0,0,0,1,0,1|2,0,0]=4 4422 B14R2.31918 O=C(Cc1c[nH]cn1)CC2CCC2 1458a_100000763092_100000707719 [0,0,0,1,0,1|2,0,0]=4 4423 B14R2.31918 O=C(Cc1c[nH]cn1)CC2CCC2 1458a_100015291406_100000763275 [0,0,0,1,0,1|2,0,0]=4 4424 B14R2.31918 O=C(Cc1ccc[nH]1)CC2CCC2 1458a_100000238377_100000763275 [0,0,0,1,0,1|1,0,0]=3 4425 B14R2.31918 O=C(Cc1ccc[nH]1)CC2CCO2 1458a_100000238377_100000103362 [0,0,0,1,0,1|2,0,0]=4 4426 B14R2.31918 O=C(Cc1ccc[nH]1)CC2COC2 1458a_100000238377_100010264016 [0,0,0,1,0,1|2,0,0]=4 4427 B14R2.31918 O=C(Cc1ccc[nH]1)NC2CCC2 11a_100000749019_100000238377 [0,0,0,1,0,1|2,0,0]=4 4428 B14R2.31918 O=C(Cc1ccc[nH]1)NC2CCC2 240690a_100000749019_100000238377 [0,0,0,1,0,1|2,0,0]=4 4429 B14R2.31918 O=C(Cc1ccc[nH]1)NC2CCC2 527a_100000749019_100000238377 [0,0,0,1,0,1|2,0,0]=4 4430 B14R2.31918 O=C(Cc1ccco1)CC2CCC2 1458a_100011217309_100000763275 [0,0,0,1,0,1|0,0,0]=2 4431 B14R2.31918 O=C(Cc1ccco1)CC2CCO2 1458a_100011217309_100000103362 [0,0,0,1,0,1|1,0,0]=3 4432 B14R2.31918 O=C(Cc1ccco1)CC2COC2 1458a_100011217309_100010264016 [0,0,0,1,0,1|1,0,0]=3 4433 B14R2.31918 O=C(Cc1ccco1)NC2CCC2 11a_100000749019_100011217309 [0,0,0,1,0,1|1,0,0]=3 4434 B14R2.31918 O=C(Cc1ccco1)NC2CCC2 527a_100000749019_100011217309 [0,0,0,1,0,1|1,0,0]=3 4435 B14R2.31918 O=C(Cc1ccco1)NC2COC2 11a_100016991112_100011217309 [0,0,0,1,0,1|2,0,0]=4 4436 B14R2.31918 O=C(Cc1ccco1)NC2COC2 527a_100016991112_100011217309 [0,0,0,1,0,1|2,0,0]=4 4437 B14R2.31918 O=C(Cc1ccco1)NC2CSC2 11a_100016994217_100011217309 [0,0,0,1,0,1|2,0,0]=4 4438 B14R2.31918 O=C(Cc1ccco1)NC2CSC2 527a_100016994217_100011217309 [0,0,0,1,0,1|2,0,0]=4 4439 B14R2.31918 O=C(Cc1cccs1)CC2CCC2 1458a_100000210189_100000763275 [0,0,0,1,0,1|0,1,0]=3 4440 B14R2.31918 O=C(Cc1cccs1)CC2CCO2 1458a_100000210189_100000103362 [0,0,0,1,0,1|1,1,0]=4 4441 B14R2.31918 O=C(Cc1cccs1)CC2COC2 1458a_100000210189_100010264016 [0,0,0,1,0,1|1,1,0]=4 4442 B14R2.31918 O=C(Cc1cccs1)NC2CCC2 11a_100000749019_100000210189 [0,0,0,1,0,1|1,1,0]=4 4443 B14R2.31918 O=C(Cc1cccs1)NC2CCC2 1626a_100000749019_100000210189 [0,0,0,1,0,1|1,1,0]=4 4444 B14R2.31918 O=C(Cc1cccs1)NC2CCC2 240690a_100000749019_100000210189 [0,0,0,1,0,1|1,1,0]=4 4445 B14R2.31918 O=C(Cc1ccn[nH]1)CC2CCC2 1458a_100000752941_100000763275 [0,0,0,1,0,1|2,0,0]=4 4446 B14R2.31918 O=C(Cc1ccn[nH]1)CC2CCC2 1458a_100000763092_100000728653 [0,0,0,1,0,1|2,0,0]=4 4447 B14R2.31918 O=C(Cc1ccoc1)CC2CCC2 1458a_100000684892_100000763275 [0,0,0,1,0,1|2,0,0]=4 4448 B14R2.31918 O=C(Cc1ccon1)CC2CCC2 1458a_100000763092_100000234950 [0,0,0,1,0,1|2,0,0]=4 4449 B14R2.31918 O=C(Cc1ccsc1)CC2CCC2 1458a_100000184062_100000763275 [0,0,0,1,0,1|2,0,0]=4 4450 B14R2.31918 O=C(Cc1ccsc1)CC2CCC2 1458a_100000763092_100011233845 [0,0,0,1,0,1|2,0,0]=4 4451 B14R2.31918 O=C(Cc1cncs1)CC2CCC2 1458a_100000763092_100015185245 [0,0,0,1,0,1|1,1,0]=4 4452 B14R2.31918 O=C(Cc1cscn1)CC2CCC2 1458a_100000763092_100000205941 [0,0,0,1,0,1|2,0,0]=4 4453 B14R2.31918 O=C(Cc1cscn1)CC2CCC2 1458a_100011438297_100000763275 [0,0,0,1,0,1|2,0,0]=4 4454 B14R2.31918 O=C(Cc1ncco1)CC2CCC2 1458a_100000763092_103436540062 [0,0,0,1,0,1|1,0,0]=3 4455 B14R2.31918 O=C(Cc1ncco1)CC2COC2 1458a_100000687760_103436540062 [0,0,0,1,0,1|2,0,0]=4 4456 B14R2.31918 O=C(Cc1nccs1)CC2CCC2 1458a_100000763092_100015184050 [0,0,0,1,0,1|1,1,0]=4 4457 B14R2.255 O=C(c1ccc(o1)O)N2CCCC2 271570a_203496583355_100000158172 [0,1,0,1,0,0|1,0,0]=3 4458 B14R2.4359 Brc1ccc(s1)C2=CCCCCC2 271570a_200009888920_100010197418 [0,1,0,1,0,0|1,1,0]=4 4459 B14R2.4359 Cc1ccc(s1)C2=CCCCCC2 271570a_200009888920_100000761539 [0,1,0,1,0,0|1,1,0]=4 4460 B14R2.4359 Cc1csc(c1)C2=CCCCCC2 271570a_200009888920_100009876951 [0,1,0,1,0,0|1,1,0]=4 4461 B14R2.4396 Cc1ccc(s1)C(=O)CNC2CC2 34a_100000212008_100011262362 [0,1,0,1,0,0|1,1,0]=4 4462 B14R2.4396 Cc1ccc(s1)C(=O)CSC2CC2 62a_100011262362_100000211595 [0,1,0,1,0,0|1,1,0]=4 4463 B14R2.4396 O=C(CSC1CC1)c2ccc(s2)Br 62a_100000185163_100000211595 [0,1,0,1,0,0|1,1,0]=4 4464 B14R2.4396 O=C(CSC1CC1)c2ccc(s2)Cl 62a_100000185135_100000211595 [0,1,0,1,0,0|1,1,0]=4 4465 B14R2.20661 Cc1ccc(s1)C(=O)CN2CCC2 269982a_100000754969_100011262362 [0,1,0,1,0,0|1,1,0]=4 4466 B14R2.20661 O=C(CN1CCC1)c2ccc(s2)Br 269982a_100000754969_100000185163 [0,1,0,1,0,0|1,1,0]=4 4467 B14R2.20661 O=C(CN1CCC1)c2ccc(s2)Cl 269982a_100000754969_100000185135 [0,1,0,1,0,0|1,1,0]=4 4468 B14R2.437 CC1CN(C1)CC(=O)c2ccc[nH]2 269982a_100000702820_200011262396 [0,1,0,1,0,0|2,0,0]=4 4469 B14R2.437 CC1CN(C1)CC(=O)c2ccco2 269982a_100000702820_100000211439 [0,1,0,1,0,0|1,0,0]=3 4470 B14R2.437 CC1CN(C1)CC(=O)c2cccs2 2230a_100000702820_100000211436 [0,1,0,1,0,0|1,1,0]=4 4471 B14R2.437 CC1CN(C1)CC(=O)c2cccs2 269982a_100000702820_100000211436 [0,1,0,1,0,0|1,1,0]=4 4472 B14R2.437 O=C(CN1CC(C1)F)c2ccc[nH]2 269982a_100000690557_200011262396 [0,1,0,1,0,0|2,0,0]=4 4473 B14R2.437 O=C(CN1CC(C1)F)c2ccco2 269982a_100000690557_100000211439 [0,1,0,1,0,0|1,0,0]=3 4474 B14R2.437 O=C(CN1CC(C1)F)c2cccs2 2230a_100000690557_100000211436 [0,1,0,1,0,0|1,1,0]=4 4475 B14R2.437 O=C(CN1CC(C1)F)c2cccs2 269982a_100000690557_100000211436 [0,1,0,1,0,0|1,1,0]=4 4476 B14R2.437 O=C(CN1CC(C1)O)c2ccc[nH]2 269982a_100000749847_200011262396 [0,1,0,1,0,0|2,0,0]=4 4477 B14R2.437 O=C(CN1CC(C1)O)c2ccco2 269982a_100000749847_100000211439 [0,1,0,1,0,0|1,0,0]=3 4478 B14R2.437 O=C(CN1CC(C1)O)c2cccs2 269982a_100000749847_100000211436 [0,1,0,1,0,0|1,1,0]=4 4479 B14R2.15286 CN(CC(=O)c1ccc[nH]1)C2CC2 269982a_100000226674_200011262396 [0,1,0,1,0,0|2,0,0]=4 4480 B14R2.15286 CN(CC(=O)c1ccco1)C2CC2 269982a_100000226674_100000211439 [0,1,0,1,0,0|1,0,0]=3 4481 B14R2.15286 CN(CC(=O)c1cccs1)C2CC2 2230a_100000226674_100000211436 [0,1,0,1,0,0|1,1,0]=4 4482 B14R2.15286 CN(CC(=O)c1cccs1)C2CC2 269982a_100000226674_100000211436 [0,1,0,1,0,0|1,1,0]=4 4483 B14R2.15286 O=C(CC(=O)C1CC1)c2ccc[nH]2 1458a_100000210395_200011262396 [0,1,0,1,0,0|1,0,1]=4 4484 B14R2.15286 O=C(CC(=O)C1CC1)c2ccco2 1458a_100000210395_100000211439 [0,1,0,1,0,0|0,0,1]=3 4485 B14R2.15286 O=C(CC(=O)C1CC1)c2cccs2 1458a_100000210395_100000211436 [0,1,0,1,0,0|0,1,1]=4 4486 B14R2.15286 O=C(CC(=O)C1CO1)c2ccco2 1458a_100000701028_100000211439 [0,1,0,1,0,0|1,0,1]=4 4487 B14R2.355 O=C(CN[C@@H]1C[C@@H]1F)c2cccs2 2230a_100015190264_100000211436 [0,1,0,1,0,0|1,1,0]=4 4488 B14R2.355 O=C(CN[C@@H]1C[C@H]1F)c2cccs2 2230a_100025746932_100000211436 [0,1,0,1,0,0|1,1,0]=4 4489 B14R2.724 CC1CCN1CC(=O)c2ccc[nH]2 269982a_100000755817_200011262396 [0,1,0,1,0,0|1,0,0]=3 4490 B14R2.724 CC1CCN1CC(=O)c2ccco2 269982a_100000755817_100000211439 [0,1,0,1,0,0|0,0,0]=2 4491 B14R2.724 CC1CCN1CC(=O)c2cccs2 269982a_100000755817_100000211436 [0,1,0,1,0,0|0,1,0]=3 4492 B14R2.724 CC1CCN1CC(=O)c2ccsc2 269982a_100000755817_100011219462 [0,1,0,1,0,0|2,0,0]=4 4493 B14R2.724 CC1CCN1CC(=O)c2ccsc2 34a_100000755817_100011219462 [0,1,0,1,0,0|2,0,0]=4 4494 B14R2.724 CC1CCN1CC(=O)c2nccs2 269982a_100000755817_100000718653 [0,1,0,1,0,0|1,1,0]=4 4495 B14R2.724 CC1CCN1CC(=O)n2cccn2 269982a_100000755817_100000077511 [0,1,0,1,0,0|2,0,0]=4 4496 B14R2.4253 CC(=NNCC1CC1)c2ccco2 4a_100000736359_100000210965 [0,1,0,1,0,0|2,0,0]=4 4497 B14R2.4253 C[C@@H](NCCC1CC1)c2ccco2 2230a_100160469435_100000694398 [0,1,0,1,0,0|1,0,1]=4 4498 B14R2.4253 C[C@H](OCCC1CC1)c2ccco2 34a_100000755270_100000694398 [0,1,0,1,0,0|1,0,1]=4 4499 B14R2.4253 C[C@H](OCCC1CC1)c2ccco2 7a_100000755270_100000764125 [0,1,0,1,0,0|1,0,1]=4 4500 B14R2.4253 O=C(CCSC1CC1)c2cccs2 62a_100011290775_100000211595 [0,1,0,1,0,0|0,1,0]=3 4501 B14R2.4253 O=C(CNCC1CC1)c2cccs2 2230a_100000735609_100000211436 [0,1,0,1,0,0|0,1,0]=3 4502 B14R2.4253 O=C(CNCC1CC1)c2ccsc2 2230a_100000735609_100011219462 [0,1,0,1,0,0|2,0,0]=4 4503 B14R2.4253 O=C(CNCC1CC1)c2ccsc2 34a_100000735609_100011219462 [0,1,0,1,0,0|2,0,0]=4 4504 B14R2.4253 O=C(CNCC1CC1)n2cccn2 2230a_100000735609_100000077511 [0,1,0,1,0,0|2,0,0]=4 4505 B14R2.4253 O=C(COCC1CC1)c2ccsc2 34a_100000211283_100011219462 [0,1,0,1,0,0|2,0,0]=4 4506 B14R2.4253 O=C(CSCC1CC1)c2ccc[nH]2 62a_100000756562_200011262396 [0,1,0,1,0,0|1,0,0]=3 4507 B14R2.4253 O=C(CSCC1CC1)c2ccc[nH]2 62a_200011262396_100000742324 [0,1,0,1,0,0|1,0,0]=3 4508 B14R2.4253 O=C(CSCC1CC1)c2ccco2 62a_100000211439_100000742324 [0,1,0,1,0,0|0,0,0]=2 4509 B14R2.4253 O=C(CSCC1CC1)c2ccco2 62a_100000756562_100000211439 [0,1,0,1,0,0|0,0,0]=2 4510 B14R2.4253 O=C(CSCC1CC1)c2cccs2 62a_100000211436_100000742324 [0,1,0,1,0,0|0,1,0]=3 4511 B14R2.4253 O=C(CSCC1CC1)c2cccs2 62a_100000756562_100000211436 [0,1,0,1,0,0|0,1,0]=3 4512 B14R2.4253 O=C(CSCC1CC1)c2ccsc2 62a_100000756562_100011219462 [0,1,0,1,0,0|2,0,0]=4 4513 B14R2.4253 O=C(CSCC1CC1)c2ccsc2 62a_100011219462_100000742324 [0,1,0,1,0,0|2,0,0]=4 4514 B14R2.4253 O=C(CSCC1CC1)c2nccs2 62a_100000718653_100000742324 [0,1,0,1,0,0|1,1,0]=4 4515 B14R2.4253 O=C(CSCC1CC1)c2nccs2 62a_100000756562_100000718653 [0,1,0,1,0,0|1,1,0]=4 4516 B14R2.4253 O=C(CSCC1CC1)n2cccn2 62a_100000077511_100000742324 [0,1,0,1,0,0|2,0,0]=4 4517 B14R2.4253 O=C(CSCC1CC1)n2cccn2 62a_100000756562_100000077511 [0,1,0,1,0,0|2,0,0]=4 4518 B14R2.4253 O=C(CSCC1CO1)c2ccc[nH]2 62a_102125554688_200011262396 [0,1,0,1,0,0|2,0,0]=4 4519 B14R2.4253 O=C(CSCC1CO1)c2ccc[nH]2 62a_200011262396_102125554688 [0,1,0,1,0,0|2,0,0]=4 4520 B14R2.4253 O=C(CSCC1CO1)c2ccco2 62a_100000211439_102125554688 [0,1,0,1,0,0|1,0,0]=3 4521 B14R2.4253 O=C(CSCC1CO1)c2ccco2 62a_102125554688_100000211439 [0,1,0,1,0,0|1,0,0]=3 4522 B14R2.4253 O=C(CSCC1CO1)c2cccs2 62a_100000211436_102125554688 [0,1,0,1,0,0|1,1,0]=4 4523 B14R2.4253 O=C(CSCC1CO1)c2cccs2 62a_102125554688_100000211436 [0,1,0,1,0,0|1,1,0]=4 4524 B14R2.4253 O=C(CSCC1CS1)c2ccc[nH]2 62a_100000031435_200011262396 [0,1,0,1,0,0|2,0,0]=4 4525 B14R2.4253 O=C(CSCC1CS1)c2ccc[nH]2 62a_200011262396_100000031435 [0,1,0,1,0,0|2,0,0]=4 4526 B14R2.4253 O=C(CSCC1CS1)c2ccco2 62a_100000031435_100000211439 [0,1,0,1,0,0|1,0,0]=3 4527 B14R2.4253 O=C(CSCC1CS1)c2ccco2 62a_100000211439_100000031435 [0,1,0,1,0,0|1,0,0]=3 4528 B14R2.4253 O=C(CSCC1CS1)c2cccs2 62a_100000031435_100000211436 [0,1,0,1,0,0|1,1,0]=4 4529 B14R2.4253 O=C(CSCC1CS1)c2cccs2 62a_100000211436_100000031435 [0,1,0,1,0,0|1,1,0]=4 4530 B14R2.4253 O=C(CSC[C@@H]1CO1)c2ccc[nH]2 62a_100000745022_200011262396 [0,1,0,1,0,0|2,0,0]=4 4531 B14R2.4253 O=C(CSC[C@@H]1CO1)c2ccc[nH]2 62a_200011262396_100000745022 [0,1,0,1,0,0|2,0,0]=4 4532 B14R2.4253 O=C(CSC[C@@H]1CO1)c2ccco2 62a_100000211439_100000745022 [0,1,0,1,0,0|1,0,0]=3 4533 B14R2.4253 O=C(CSC[C@@H]1CO1)c2ccco2 62a_100000745022_100000211439 [0,1,0,1,0,0|1,0,0]=3 4534 B14R2.4253 O=C(CSC[C@@H]1CO1)c2cccs2 62a_100000211436_100000745022 [0,1,0,1,0,0|1,1,0]=4 4535 B14R2.4253 O=C(CSC[C@@H]1CO1)c2cccs2 62a_100000745022_100000211436 [0,1,0,1,0,0|1,1,0]=4 4536 B14R2.4253 O=C(NN=CC1CC1)c2ccco2 4a_100000185077_100000741477 [0,1,0,1,0,0|1,0,1]=4 4537 B14R2.4253 OC(CNCC1CC1)c2ccco2 2230a_100000738650_100000742324 [0,1,0,1,0,0|0,0,2]=4 4538 B14R2.4253 OC(CNCC1CC1)c2ccco2 269862a_100000738650_100000741477 [0,1,0,1,0,0|0,0,2]=4 4539 B14R2.4254 CC(=NNC1CCC1)c2ccco2 4a_100000736358_100000210965 [0,1,0,1,0,0|2,0,0]=4 4540 B14R2.4254 C[C@@H](NCC1CCC1)c2ccco2 2230a_100160469435_100000763275 [0,1,0,1,0,0|1,0,1]=4 4541 B14R2.4254 C[C@@H](NCC1CCC1)c2ccco2 269862a_100160469435_100000753134 [0,1,0,1,0,0|1,0,1]=4 4542 B14R2.4254 C[C@H](OCC1CCC1)c2ccco2 34a_100000755270_100000763275 [0,1,0,1,0,0|1,0,1]=4 4543 B14R2.4254 C[C@H](OCC1CCC1)c2ccco2 7a_100000755270_100000763275 [0,1,0,1,0,0|1,0,1]=4 4544 B14R2.4254 O=C(CCN1CCC1)c2cccs2 269982a_100000754969_100011290775 [0,1,0,1,0,0|0,1,0]=3 4545 B14R2.4254 O=C(CNC1CCC1)c2cccs2 2230a_100000749019_100000211436 [0,1,0,1,0,0|0,1,0]=3 4546 B14R2.4254 O=C(CNC1CCC1)c2ccsc2 2230a_100000749019_100011219462 [0,1,0,1,0,0|2,0,0]=4 4547 B14R2.4254 O=C(CNC1CCC1)c2ccsc2 34a_100000749019_100011219462 [0,1,0,1,0,0|2,0,0]=4 4548 B14R2.4254 O=C(CNC1CCC1)n2cccn2 2230a_100000749019_100000077511 [0,1,0,1,0,0|2,0,0]=4 4549 B14R2.4254 O=C(CNC1COC1)c2cccs2 2230a_100016991112_100000211436 [0,1,0,1,0,0|1,1,0]=4 4550 B14R2.4254 O=C(COC1CCC1)c2ccsc2 34a_100000748187_100011219462 [0,1,0,1,0,0|2,0,0]=4 4551 B14R2.4254 O=C(COC1CSC1)c2ccc[nH]2 7a_100000072292_200011262396 [0,1,0,1,0,0|2,0,0]=4 4552 B14R2.4254 O=C(COC1CSC1)c2ccco2 7a_100000072292_100000211439 [0,1,0,1,0,0|1,0,0]=3 4553 B14R2.4254 O=C(COC1CSC1)c2cccs2 7a_100000072292_100000211436 [0,1,0,1,0,0|1,1,0]=4 4554 B14R2.4254 O=C(CSC1CCC1)c2ccc[nH]2 62a_200011262396_100000749161 [0,1,0,1,0,0|1,0,0]=3 4555 B14R2.4254 O=C(CSC1CCC1)c2ccco2 62a_100000211439_100000749161 [0,1,0,1,0,0|0,0,0]=2 4556 B14R2.4254 O=C(CSC1CCC1)c2cccs2 62a_100000211436_100000749161 [0,1,0,1,0,0|0,1,0]=3 4557 B14R2.4254 O=C(CSC1CCC1)c2ccsc2 62a_100011219462_100000749161 [0,1,0,1,0,0|2,0,0]=4 4558 B14R2.4254 O=C(CSC1CCC1)c2nccs2 62a_100000718653_100000749161 [0,1,0,1,0,0|1,1,0]=4 4559 B14R2.4254 O=C(CSC1CCC1)n2cccn2 62a_100000077511_100000749161 [0,1,0,1,0,0|2,0,0]=4 4560 B14R2.4254 O=C(CSC1COC1)c2ccc[nH]2 62a_200011262396_100009818527 [0,1,0,1,0,0|2,0,0]=4 4561 B14R2.4254 O=C(CSC1COC1)c2ccco2 62a_100000211439_100009818527 [0,1,0,1,0,0|1,0,0]=3 4562 B14R2.4254 O=C(CSC1COC1)c2cccs2 62a_100000211436_100009818527 [0,1,0,1,0,0|1,1,0]=4 4563 B14R2.4254 O=C(NN=C1CCC1)c2ccco2 4a_100000185077_100000241760 [0,1,0,1,0,0|1,0,1]=4 4564 B14R2.4254 OC(CNC1CCC1)c2ccco2 270004a_100000738650_100000241760 [0,1,0,1,0,0|0,0,2]=4 4565 B14R2.728 CC1CCN1S(=O)(=O)c2ccco2 270084a_100000755817_200000702926 [0,1,0,1,0,0|2,0,0]=4 4566 B14R2.728 CC1CCN1S(=O)(=O)c2ccco2 274078a_100000755817_200000702926 [0,1,0,1,0,0|2,0,0]=4 4567 B14R2.4563 O=S(=O)(c1ccco1)N2CCCC2 270084a_100000188435_200000702926 [0,1,0,1,0,0|2,0,0]=4 4568 B14R2.4563 O=S(=O)(c1ccco1)N2CCCC2 274078a_100000188435_200000702926 [0,1,0,1,0,0|2,0,0]=4 4569 B14R2.21279 O=S(=O)(NCC1CC1)c2ccco2 270084a_100000735609_200000702926 [0,1,0,1,0,0|2,0,0]=4 4570 B14R2.21279 O=S(=O)(NCC1CC1)c2ccco2 274078a_100000735609_200000702926 [0,1,0,1,0,0|2,0,0]=4 4571 B14R2.21281 O=S(=O)(NC1CCC1)c2ccco2 270084a_100000749019_200000702926 [0,1,0,1,0,0|2,0,0]=4 4572 B14R2.21281 O=S(=O)(NC1CCC1)c2ccco2 274078a_100000749019_200000702926 [0,1,0,1,0,0|2,0,0]=4 4573 B14R2.1 CCC1CC=C(CC1)c2ccco2 271570a_200010144120_100009814098 [0,1,0,1,0,0|1,0,0]=3 4574 B14R2.1 CCC1CC=C(CC1)c2cccs2 271570a_200010144120_100011215356 [0,1,0,1,0,0|1,1,0]=4 4575 B14R2.1 CCC1CC=C(CC1)c2cnco2 271570a_200010144120_100020591547 [0,1,0,1,0,0|2,0,0]=4 4576 B14R2.1 CCC1CC=C(CC1)c2ncco2 271570a_200010144120_100011787736 [0,1,0,1,0,0|2,0,0]=4 4577 B14R2.1 COC1CC=C(CC1)c2ccco2 271570a_100010144119_100009814098 [0,1,0,1,0,0|2,0,0]=4 4578 B14R2.31919 CC1(CC1)NCC(=O)c2cccs2 2230a_100000757604_100000211436 [0,1,0,1,0,0|1,1,0]=4 4579 B14R2.31919 CC1(CC1)OCC(=O)c2ccc[nH]2 7a_100011725673_200011262396 [0,1,0,1,0,0|2,0,0]=4 4580 B14R2.31919 CC1(CC1)OCC(=O)c2ccco2 7a_100011725673_100000211439 [0,1,0,1,0,0|1,0,0]=3 4581 B14R2.31919 CC1(CC1)OCC(=O)c2cccs2 7a_100011725673_100000211436 [0,1,0,1,0,0|1,1,0]=4 4582 B14R2.9586 CC(SC1CC1)C(=O)c2cccs2 62a_100011262360_100000211595 [0,1,0,1,0,0|1,1,0]=4 4583 B14R2.46048 CC(C(=O)c1cccs1)N2CCC2 269982a_100000754969_100011262360 [0,1,0,1,0,0|1,1,0]=4 4584 B14R2.5202 Brc1ccsc1C2=CCCCCC2 271570a_200009888920_100012361411 [0,1,0,1,0,0|1,1,0]=4 4585 B14R2.5202 Cc1ccsc1C2=CCCCCC2 271570a_200009888920_100000742657 [0,1,0,1,0,0|1,1,0]=4 4586 B14R2.5218 Cn1cccc1C(=O)CNC2CC2 34a_100000212008_200011262399 [0,1,0,1,0,0|2,0,0]=4 4587 B14R2.5218 Cn1cccc1C(=O)CSC2CC2 62a_200011262399_100000211595 [0,1,0,1,0,0|2,0,0]=4 4588 B14R2.5218 O=C(CNC1CC1)c2sccc2Br 34a_100000212008_100000740827 [0,1,0,1,0,0|1,1,0]=4 4589 B14R2.5218 O=C(CSC1CC1)c2sccc2Br 62a_100000740827_100000211595 [0,1,0,1,0,0|1,1,0]=4 4590 B14R2.21853 Cn1cccc1C(=O)CN2CCC2 269982a_100000754969_200011262399 [0,1,0,1,0,0|2,0,0]=4 4591 B14R2.21853 O=C(CN1CCC1)c2sccc2Br 269982a_100000754969_100000740827 [0,1,0,1,0,0|1,1,0]=4 4592 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,0,0,0,2,0|0,0,2]=4 4593 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [1,0,0,0,0,1|1,0,1]=4 4594 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [1,0,0,0,0,1|1,0,1]=4 4595 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [1,0,0,0,0,1|1,0,1]=4 4596 B12R1.8 CCCCC=Cc1cccnn1 271570a_100016275911_100016991348 [1,0,0,0,0,1|1,0,1]=4 4597 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [1,0,0,0,0,1|1,0,1]=4 4598 B12R1.8 CCCCC=Cc1ccncn1 271570a_100016275911_100000703185 [1,0,0,0,0,1|1,0,1]=4 4599 B12R1.8 CCCCC=Cc1cnccn1 271570a_100016275911_100000758340 [1,0,0,0,0,1|1,0,1]=4 4600 B12R1.8 CCCCC=Cc1ncccn1 271570a_100016275911_100000211032 [1,0,0,0,0,1|1,0,1]=4 4601 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [1,0,0,0,0,1|2,0,0]=4 4602 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [1,0,0,0,0,1|2,0,0]=4 4603 B12R1.8 CCCCCNc1ccncn1 27a_100000209983_100000703185 [1,0,0,0,0,1|2,0,0]=4 4604 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [1,0,0,0,0,1|2,0,0]=4 4605 B12R1.8 CCCCCNc1ncccn1 27a_100000209983_100000211032 [1,0,0,0,0,1|2,0,0]=4 4606 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [1,0,0,0,0,1|2,0,0]=4 4607 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [1,0,0,0,0,1|2,0,0]=4 4608 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [1,0,0,0,0,1|2,0,0]=4 4609 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [1,0,0,0,0,1|2,0,0]=4 4610 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [1,0,0,0,0,1|2,0,0]=4 4611 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [1,0,0,0,0,1|2,0,0]=4 4612 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [1,0,0,0,0,1|2,0,0]=4 4613 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [1,0,0,0,0,1|2,0,0]=4 4614 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [1,0,0,0,0,1|2,0,0]=4 4615 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [1,0,0,0,0,1|2,0,0]=4 4616 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [1,0,0,0,0,1|2,0,0]=4 4617 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [1,0,0,0,0,1|2,0,0]=4 4618 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [1,0,0,0,0,1|2,0,0]=4 4619 B12R1.8 CCCCCSc1ccncc1 62a_100000210326_100000728582 [1,0,0,0,0,1|2,0,0]=4 4620 B12R1.8 CCCCCSc1ccncc1 62a_100000728582_100000210326 [1,0,0,0,0,1|2,0,0]=4 4621 B12R1.8 CCCCCSc1ccncn1 62a_100000210326_100000703185 [1,0,0,0,0,1|2,0,0]=4 4622 B12R1.8 CCCCCSc1ccncn1 62a_100000703185_100000210326 [1,0,0,0,0,1|2,0,0]=4 4623 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [1,0,0,0,0,1|2,0,0]=4 4624 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [1,0,0,0,0,1|2,0,0]=4 4625 B12R1.8 CCCCCSc1ncccn1 62a_100000210326_100000211032 [1,0,0,0,0,1|2,0,0]=4 4626 B12R1.8 CCCCCSc1ncccn1 62a_100000211032_100000210326 [1,0,0,0,0,1|2,0,0]=4 4627 B12R1.30 CCCCC(=O)C1=CCCCO1 1458a_100000764163_100000210211 [1,0,0,0,0,1|0,0,2]=4 4628 B12R1.30 CCCCC(=O)C1=COCCO1 1458a_100000008702_100000210211 [1,0,0,0,0,1|0,0,2]=4 4629 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [1,0,0,0,0,1|1,0,0]=3 4630 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [1,0,0,0,0,1|2,0,0]=4 4631 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [1,0,0,0,0,1|2,0,0]=4 4632 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [1,0,0,0,0,1|2,0,0]=4 4633 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [1,0,0,0,0,1|2,0,0]=4 4634 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [1,0,0,0,0,1|2,0,0]=4 4635 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [1,0,0,0,0,1|2,0,0]=4 4636 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [1,0,0,0,0,1|2,0,0]=4 4637 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [1,0,0,0,0,1|2,0,0]=4 4638 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [1,0,0,0,0,1|2,0,0]=4 4639 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [1,0,0,0,0,1|2,0,0]=4 4640 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [1,0,0,0,0,1|2,0,0]=4 4641 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [1,0,0,0,0,1|2,0,0]=4 4642 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [1,0,0,0,0,1|2,0,0]=4 4643 B12R1.30 CCSCC(=O)c1ncccn1 62a_100000210202_100020636365 [1,0,0,0,0,1|2,0,0]=4 4644 B12R1.30 CCSCC(=O)c1ncccn1 62a_100020636365_100000210202 [1,0,0,0,0,1|2,0,0]=4 4645 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [1,0,0,0,0,1|2,0,0]=4 4646 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [1,0,0,0,0,1|2,0,0]=4 4647 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [1,0,0,0,0,1|2,0,0]=4 4648 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [1,0,0,0,0,1|2,0,0]=4 4649 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [1,0,0,0,0,1|2,0,0]=4 4650 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [1,0,0,0,0,1|2,0,0]=4 4651 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [1,0,0,0,0,1|2,0,0]=4 4652 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [1,0,0,0,0,1|2,0,0]=4 4653 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [1,0,0,0,0,1|2,0,0]=4 4654 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [1,0,0,0,0,1|2,0,0]=4 4655 B14R1.158 CCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210326 [0,0,0,0,0,2|2,0,0]=4 4656 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [0,0,0,0,0,2|1,0,0]=3 4657 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000212188_100000721315 [0,0,0,0,0,2|1,0,0]=3 4658 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210326 [0,0,0,0,0,2|1,0,0]=3 4659 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000212188_100000733263 [0,0,0,0,0,2|1,0,0]=3 4660 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210326 [0,0,0,0,0,2|1,0,0]=3 4661 B14R1.158 CCCCCC(=O)Cc1cccnn1 1458a_100000212188_100016990269 [0,0,0,0,0,2|1,0,0]=3 4662 B14R1.158 CCCCCC(=O)Cc1ccncc1 1458a_100000212188_100000705612 [0,0,0,0,0,2|1,0,0]=3 4663 B14R1.158 CCCCCC(=O)Cc1cnccn1 1458a_100000212188_100016995436 [0,0,0,0,0,2|1,0,0]=3 4664 B14R1.158 CCCCCC(=O)Cc1cncnc1 1458a_100000212188_100015196519 [0,0,0,0,0,2|2,0,0]=4 4665 B14R1.158 CCCCCC(=O)Cc1cncnc1 1458a_100000721575_100000210326 [0,0,0,0,0,2|2,0,0]=4 4666 B14R1.158 CCCCCC(=O)Cc1ncccn1 1458a_100000212188_100000703007 [0,0,0,0,0,2|1,0,0]=3 4667 B14R1.158 CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000212188 [0,0,0,0,0,2|1,0,0]=3 4668 B14R1.158 CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000212188 [0,0,0,0,0,2|1,0,0]=3 4669 B14R1.158 CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000212188 [0,0,0,0,0,2|1,0,0]=3 4670 B14R1.158 CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000212188 [0,0,0,0,0,2|1,0,0]=3 4671 B14R1.158 CCCCNC(=O)Cc1ccccn1 11a_100000102301_100000233486 [0,0,0,0,0,2|2,0,0]=4 4672 B14R1.158 CCCCNC(=O)Cc1cccnc1 11a_100000102301_100000737805 [0,0,0,0,0,2|2,0,0]=4 4673 B14R1.158 CCCCNC(=O)Cc1cccnc1 240690a_100000102301_100000737805 [0,0,0,0,0,2|2,0,0]=4 4674 B14R1.158 CCCCNC(=O)Cc1cccnc1 527a_100000102301_100000737805 [0,0,0,0,0,2|2,0,0]=4 4675 B14R1.158 CCCCNC(=O)Cc1ccncc1 11a_100000102301_100011201483 [0,0,0,0,0,2|2,0,0]=4 4676 B14R1.158 CCCCNC(=O)Cc1ccncc1 240690a_100000102301_100011201483 [0,0,0,0,0,2|2,0,0]=4 4677 B14R1.158 CCCCNC(=O)Cc1cnccn1 11a_100000102301_100000726051 [0,0,0,0,0,2|2,0,0]=4 4678 B14R1.158 CCCCNC(=O)Cc1cnccn1 240690a_100000102301_100000726051 [0,0,0,0,0,2|2,0,0]=4 4679 B14R1.158 CCCCNC(=O)Cc1cnccn1 527a_100000102301_100000726051 [0,0,0,0,0,2|2,0,0]=4 4680 B14R1.158 CCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000102301 [0,0,0,0,0,2|2,0,0]=4 4681 B14R1.158 CCCOCC(=O)Cc1ccccc1 1458a_100000745993_100015291786 [0,0,0,0,0,2|2,0,0]=4 4682 B14R1.158 CCCOCC(=O)Cc1ccccn1 1458a_100000745993_100000721315 [0,0,0,0,0,2|2,0,0]=4 4683 B14R1.158 CCCOCC(=O)Cc1cccnc1 1458a_100000745993_100000733263 [0,0,0,0,0,2|2,0,0]=4 4684 B14R1.158 CCCOCC(=O)Cc1cccnn1 1458a_100000745993_100016990269 [0,0,0,0,0,2|2,0,0]=4 4685 B14R1.158 CCCOCC(=O)Cc1ccncc1 1458a_100000745993_100000705612 [0,0,0,0,0,2|2,0,0]=4 4686 B14R1.158 CCCOCC(=O)Cc1cnccn1 1458a_100000745993_100016995436 [0,0,0,0,0,2|2,0,0]=4 4687 B14R1.158 CCCOCC(=O)Cc1ncccn1 1458a_100000745993_100000703007 [0,0,0,0,0,2|2,0,0]=4 4688 B14R1.158 CCCOCC(=O)Nc1ccccc1 11a_100000106764_100000745993 [0,0,0,0,0,2|2,0,0]=4 4689 B14R1.158 CCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000745993 [0,0,0,0,0,2|2,0,0]=4 4690 B14R1.158 CCCOCC(=O)Nc1ccccc1 22a_100000106764_100000745993 [0,0,0,0,0,2|2,0,0]=4 4691 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000210258_100000182850 [0,0,0,0,0,2|2,0,0]=4 4692 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210303 [0,0,0,0,0,2|2,0,0]=4 4693 B14R1.158 CCCOCC(=O)Nc1ccccc1 527a_100000106764_100000745993 [0,0,0,0,0,2|2,0,0]=4 4694 B14R1.158 CCCOCC(=O)Oc1ccccc1 34a_100000210258_100009813826 [0,0,0,0,0,2|2,0,0]=4 4695 B14R1.158 CCCSCC(=O)Cc1ccccc1 1458a_100000217233_100015291786 [0,0,0,0,0,2|2,0,0]=4 4696 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000210303_100000233483 [0,0,0,0,0,2|2,0,0]=4 4697 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210303 [0,0,0,0,0,2|2,0,0]=4 4698 B14R1.158 CCCSCC(=O)Cc1ccccn1 1458a_100000217233_100000721315 [0,0,0,0,0,2|2,0,0]=4 4699 B14R1.158 CCCSCC(=O)Cc1cccnc1 1458a_100000217233_100000733263 [0,0,0,0,0,2|2,0,0]=4 4700 B14R1.158 CCCSCC(=O)Cc1cccnn1 1458a_100000217233_100016990269 [0,0,0,0,0,2|2,0,0]=4 4701 B14R1.158 CCCSCC(=O)Cc1ccncc1 1458a_100000217233_100000705612 [0,0,0,0,0,2|2,0,0]=4 4702 B14R1.158 CCCSCC(=O)Cc1cnccn1 1458a_100000217233_100016995436 [0,0,0,0,0,2|2,0,0]=4 4703 B14R1.158 CCCSCC(=O)Cc1ncccn1 1458a_100000217233_100000703007 [0,0,0,0,0,2|2,0,0]=4 4704 B14R1.158 CCCSCC(=O)Nc1ccccc1 11a_100000106764_100000217233 [0,0,0,0,0,2|2,0,0]=4 4705 B14R1.158 CCCSCC(=O)Nc1ccccc1 1626a_100000106764_100000217233 [0,0,0,0,0,2|2,0,0]=4 4706 B14R1.158 CCCSCC(=O)Nc1ccccc1 22a_100000106764_100000217233 [0,0,0,0,0,2|2,0,0]=4 4707 B14R1.158 CCCSCC(=O)Nc1ccccc1 527a_100000106764_100000217233 [0,0,0,0,0,2|2,0,0]=4 4708 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100000210303_100000182850 [0,0,0,0,0,2|2,0,0]=4 4709 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210303 [0,0,0,0,0,2|2,0,0]=4 4710 B14R1.158 CCCSCC(=O)Nc1ccccn1 62a_100000210303_100020662008 [0,0,0,0,0,2|2,0,0]=4 4711 B14R1.158 CCCSCC(=O)Nc1ccccn1 62a_100020662008_100000210303 [0,0,0,0,0,2|2,0,0]=4 4712 B14R1.158 CCCSCC(=O)Nc1ccncc1 62a_100000210303_100000754145 [0,0,0,0,0,2|2,0,0]=4 4713 B14R1.158 CCCSCC(=O)Nc1ncccn1 62a_100000183248_100000210303 [0,0,0,0,0,2|2,0,0]=4 4714 B14R1.158 CCCSCC(=O)Nc1ncccn1 62a_100000210303_100000183248 [0,0,0,0,0,2|2,0,0]=4 4715 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100000210303_100009813826 [0,0,0,0,0,2|2,0,0]=4 4716 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210303 [0,0,0,0,0,2|2,0,0]=4 4717 B14R1.158 CCNCCC(=O)Nc1ccccc1 2230a_100015525214_100000242058 [0,0,0,0,0,2|2,0,0]=4 4718 B14R1.158 CCNCCC(=O)Nc1cccnc1 2230a_100015525214_200015187043 [0,0,0,0,0,2|2,0,0]=4 4719 B14R1.158 CCNCCC(=O)Nc1cccnc1 34a_100000748795_100000210202 [0,0,0,0,0,2|2,0,0]=4 4720 B14R1.158 CCNCCC(=O)Oc1ccccc1 2230a_100015525214_200000035796 [0,0,0,0,0,2|2,0,0]=4 4721 B14R1.158 CCOCCC(=O)Cc1ccccc1 1458a_100000749530_100015291786 [0,0,0,0,0,2|2,0,0]=4 4722 B14R1.158 CCOCCC(=O)Cc1ccccn1 1458a_100000233486_100011215890 [0,0,0,0,0,2|2,0,0]=4 4723 B14R1.158 CCOCCC(=O)Cc1ccccn1 1458a_100000749530_100000721315 [0,0,0,0,0,2|2,0,0]=4 4724 B14R1.158 CCOCCC(=O)Cc1cccnc1 1458a_100000737805_100011215890 [0,0,0,0,0,2|2,0,0]=4 4725 B14R1.158 CCOCCC(=O)Cc1cccnc1 1458a_100000749530_100000733263 [0,0,0,0,0,2|2,0,0]=4 4726 B14R1.158 CCOCCC(=O)Cc1cccnn1 1458a_100000749530_100016990269 [0,0,0,0,0,2|2,0,0]=4 4727 B14R1.158 CCOCCC(=O)Cc1ccncc1 1458a_100000749530_100000705612 [0,0,0,0,0,2|2,0,0]=4 4728 B14R1.158 CCOCCC(=O)Cc1cnccn1 1458a_100000749530_100016995436 [0,0,0,0,0,2|2,0,0]=4 4729 B14R1.158 CCOCCC(=O)Cc1ncccn1 1458a_100000749530_100000703007 [0,0,0,0,0,2|2,0,0]=4 4730 B14R1.158 CCOCCC(=O)Nc1ccccc1 11a_100000106764_100000749530 [0,0,0,0,0,2|2,0,0]=4 4731 B14R1.158 CCOCCC(=O)Nc1ccccc1 1626a_100000106764_100000749530 [0,0,0,0,0,2|2,0,0]=4 4732 B14R1.158 CCOCCC(=O)Nc1ccccc1 22a_100000106764_100000749530 [0,0,0,0,0,2|2,0,0]=4 4733 B14R1.158 CCOCCC(=O)Nc1ccccc1 34a_100121572206_100000242058 [0,0,0,0,0,2|2,0,0]=4 4734 B14R1.158 CCOCCC(=O)Nc1ccccc1 527a_100000106764_100000749530 [0,0,0,0,0,2|2,0,0]=4 4735 B14R1.158 CCSCCC(=O)Cc1ccccc1 1458a_100000230768_100015291786 [0,0,0,0,0,2|2,0,0]=4 4736 B14R1.158 CCSCCC(=O)Cc1ccccn1 1458a_100000230768_100000721315 [0,0,0,0,0,2|2,0,0]=4 4737 B14R1.158 CCSCCC(=O)Cc1ccccn1 1458a_100000233486_100000757381 [0,0,0,0,0,2|2,0,0]=4 4738 B14R1.158 CCSCCC(=O)Cc1cccnc1 1458a_100000230768_100000733263 [0,0,0,0,0,2|2,0,0]=4 4739 B14R1.158 CCSCCC(=O)Cc1cccnc1 1458a_100000737805_100000757381 [0,0,0,0,0,2|2,0,0]=4 4740 B14R1.158 CCSCCC(=O)Cc1cccnn1 1458a_100000230768_100016990269 [0,0,0,0,0,2|2,0,0]=4 4741 B14R1.158 CCSCCC(=O)Cc1ccncc1 1458a_100000230768_100000705612 [0,0,0,0,0,2|2,0,0]=4 4742 B14R1.158 CCSCCC(=O)Cc1cnccn1 1458a_100000230768_100016995436 [0,0,0,0,0,2|2,0,0]=4 4743 B14R1.158 CCSCCC(=O)Cc1ncccn1 1458a_100000230768_100000703007 [0,0,0,0,0,2|2,0,0]=4 4744 B14R1.158 CCSCCC(=O)Nc1ccccc1 11a_100000106764_100000230768 [0,0,0,0,0,2|2,0,0]=4 4745 B14R1.158 CCSCCC(=O)Nc1ccccc1 1626a_100000106764_100000230768 [0,0,0,0,0,2|2,0,0]=4 4746 B14R1.158 CCSCCC(=O)Nc1ccccc1 22a_100000106764_100000230768 [0,0,0,0,0,2|2,0,0]=4 4747 B14R1.158 CCSCCC(=O)Nc1ccccc1 527a_100000106764_100000230768 [0,0,0,0,0,2|2,0,0]=4 4748 B14R1.158 CCSCCC(=O)Nc1ccccc1 62a_100000210202_100000242058 [0,0,0,0,0,2|2,0,0]=4 4749 B14R1.158 CCSCCC(=O)Nc1cccnc1 62a_100000210202_200015187043 [0,0,0,0,0,2|2,0,0]=4 4750 B14R1.158 CCSCCC(=O)Oc1ccccc1 62a_100000210202_200000035796 [0,0,0,0,0,2|2,0,0]=4 4751 B14R1.158 CNCCCC(=O)Nc1ccccc1 2230a_106832991635_100011194425 [0,0,0,0,0,2|2,0,0]=4 4752 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100000750157_200000210301 [0,0,0,0,0,2|2,0,0]=4 4753 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100102657272_100011194425 [0,0,0,0,0,2|2,0,0]=4 4754 B14R1.158 CNCCCC(=O)Nc1ccccc1 7a_106832991635_100011194425 [0,0,0,0,0,2|2,0,0]=4 4755 B14R1.158 COCCCC(=O)Cc1ccccc1 1458a_100000741012_100015291786 [0,0,0,0,0,2|2,0,0]=4 4756 B14R1.158 COCCCC(=O)Cc1ccccn1 1458a_100000233486_100000740836 [0,0,0,0,0,2|2,0,0]=4 4757 B14R1.158 COCCCC(=O)Cc1ccccn1 1458a_100000741012_100000721315 [0,0,0,0,0,2|2,0,0]=4 4758 B14R1.158 COCCCC(=O)Cc1cccnc1 1458a_100000737805_100000740836 [0,0,0,0,0,2|2,0,0]=4 4759 B14R1.158 COCCCC(=O)Cc1cccnc1 1458a_100000741012_100000733263 [0,0,0,0,0,2|2,0,0]=4 4760 B14R1.158 COCCCC(=O)Cc1cccnn1 1458a_100000741012_100016990269 [0,0,0,0,0,2|2,0,0]=4 4761 B14R1.158 COCCCC(=O)Cc1ccncc1 1458a_100000741012_100000705612 [0,0,0,0,0,2|2,0,0]=4 4762 B14R1.158 COCCCC(=O)Cc1cnccn1 1458a_100000741012_100016995436 [0,0,0,0,0,2|2,0,0]=4 4763 B14R1.158 COCCCC(=O)Cc1ncccn1 1458a_100000741012_100000703007 [0,0,0,0,0,2|2,0,0]=4 4764 B14R1.158 COCCCC(=O)Nc1ccccc1 11a_100000106764_100000741012 [0,0,0,0,0,2|2,0,0]=4 4765 B14R1.158 COCCCC(=O)Nc1ccccc1 1626a_100000106764_100000741012 [0,0,0,0,0,2|2,0,0]=4 4766 B14R1.158 COCCCC(=O)Nc1ccccc1 22a_100000106764_100000741012 [0,0,0,0,0,2|2,0,0]=4 4767 B14R1.158 COCCCC(=O)Nc1ccccc1 34a_100138415774_100011194425 [0,0,0,0,0,2|2,0,0]=4 4768 B14R1.158 COCCCC(=O)Nc1ccccc1 527a_100000106764_100000741012 [0,0,0,0,0,2|2,0,0]=4 4769 B14R1.158 CSCCCC(=O)Cc1ccccc1 1458a_100000173376_100015291786 [0,0,0,0,0,2|2,0,0]=4 4770 B14R1.158 CSCCCC(=O)Cc1ccccn1 1458a_100000173376_100000721315 [0,0,0,0,0,2|2,0,0]=4 4771 B14R1.158 CSCCCC(=O)Cc1cccnc1 1458a_100000173376_100000733263 [0,0,0,0,0,2|2,0,0]=4 4772 B14R1.158 CSCCCC(=O)Cc1cccnn1 1458a_100000173376_100016990269 [0,0,0,0,0,2|2,0,0]=4 4773 B14R1.158 CSCCCC(=O)Cc1ccncc1 1458a_100000173376_100000705612 [0,0,0,0,0,2|2,0,0]=4 4774 B14R1.158 CSCCCC(=O)Cc1cnccn1 1458a_100000173376_100016995436 [0,0,0,0,0,2|2,0,0]=4 4775 B14R1.158 CSCCCC(=O)Cc1ncccn1 1458a_100000173376_100000703007 [0,0,0,0,0,2|2,0,0]=4 4776 B14R1.158 CSCCCC(=O)Nc1ccccc1 11a_100000106764_100000173376 [0,0,0,0,0,2|2,0,0]=4 4777 B14R1.158 CSCCCC(=O)Nc1ccccc1 1626a_100000106764_100000173376 [0,0,0,0,0,2|2,0,0]=4 4778 B14R1.158 CSCCCC(=O)Nc1ccccc1 22a_100000106764_100000173376 [0,0,0,0,0,2|2,0,0]=4 4779 B14R1.158 CSCCCC(=O)Nc1ccccc1 527a_100000106764_100000173376 [0,0,0,0,0,2|2,0,0]=4 4780 B14R1.158 CSCCCC(=O)Nc1ccccc1 62a_200000210301_100011194425 [0,0,0,0,0,2|2,0,0]=4 4781 B14R1.158 O=C(CCCCF)Cc1ccccn1 1458a_100000233486_100000729493 [0,0,0,0,0,2|2,0,0]=4 4782 B14R1.158 O=C(CCCCF)Cc1cccnc1 1458a_100000737805_100000729493 [0,0,0,0,0,2|2,0,0]=4 4783 B14R1.158 O=C(CCCCO)Cc1ccccc1 1458a_100000695505_100015291786 [0,0,0,0,0,2|2,0,0]=4 4784 B14R1.158 O=C(CCCCO)Cc1ccccn1 1458a_100000233486_100000210776 [0,0,0,0,0,2|2,0,0]=4 4785 B14R1.158 O=C(CCCCO)Cc1ccccn1 1458a_100000695505_100000721315 [0,0,0,0,0,2|2,0,0]=4 4786 B14R1.158 O=C(CCCCO)Cc1cccnc1 1458a_100000695505_100000733263 [0,0,0,0,0,2|2,0,0]=4 4787 B14R1.158 O=C(CCCCO)Cc1cccnc1 1458a_100000737805_100000210776 [0,0,0,0,0,2|2,0,0]=4 4788 B14R1.158 O=C(CCCCO)Cc1cccnn1 1458a_100000695505_100016990269 [0,0,0,0,0,2|2,0,0]=4 4789 B14R1.158 O=C(CCCCO)Cc1ccncc1 1458a_100000695505_100000705612 [0,0,0,0,0,2|2,0,0]=4 4790 B14R1.158 O=C(CCCCO)Cc1cnccn1 1458a_100000695505_100016995436 [0,0,0,0,0,2|2,0,0]=4 4791 B14R1.158 O=C(CCCCO)Cc1ncccn1 1458a_100000695505_100000703007 [0,0,0,0,0,2|2,0,0]=4 4792 B14R1.158 O=C(CCCCO)Nc1ccccc1 1626a_100000106764_100000695505 [0,0,0,0,0,2|2,0,0]=4 4793 B14R1.158 [13CH3]NCCCC(=O)Nc1ccccc1 34a_100000750157_200025704644 [0,0,0,0,0,2|2,0,0]=4 4794 B14R1.158 [13CH3]SCCCC(=O)Nc1ccccc1 62a_200025704644_100011194425 [0,0,0,0,0,2|2,0,0]=4 4795 B14R1.86 C#CCCCC(=O)CCc1ccco1 1458a_100000185103_100000731252 [0,0,0,0,0,2|0,0,2]=4 4796 B14R1.86 C#CCCCC(=O)NCc1ccco1 11a_100000185738_100000690238 [0,0,0,0,0,2|0,0,2]=4 4797 B14R1.86 C#CCCCC(=O)NCc1ccco1 1626a_100000185738_100000690238 [0,0,0,0,0,2|0,0,2]=4 4798 B14R1.86 C#CCCCC(=O)NCc1ccco1 240690a_100000185738_100000690238 [0,0,0,0,0,2|0,0,2]=4 4799 B14R1.86 C#CCCCC(=O)NCc1ccco1 527a_100000185738_100000690238 [0,0,0,0,0,2|0,0,2]=4 4800 B14R1.86 C=CCCCC(=O)CCc1ccco1 1458a_100000185103_100000757094 [0,0,0,0,0,2|0,0,2]=4 4801 B14R1.86 C=CCCCC(=O)NCc1ccco1 11a_100000185738_100000766728 [0,0,0,0,0,2|0,0,2]=4 4802 B14R1.86 C=CCCCC(=O)NCc1ccco1 1626a_100000185738_100000766728 [0,0,0,0,0,2|0,0,2]=4 4803 B14R1.86 C=CCCCC(=O)NCc1ccco1 240690a_100000185738_100000766728 [0,0,0,0,0,2|0,0,2]=4 4804 B14R1.86 C=CCCCC(=O)NCc1ccco1 527a_100000185738_100000766728 [0,0,0,0,0,2|0,0,2]=4 4805 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 11a_100000185738_100016274230 [0,0,0,0,0,2|0,0,2]=4 4806 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 1626a_100000185738_100016274230 [0,0,0,0,0,2|0,0,2]=4 4807 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 240690a_100000185738_100016274230 [0,0,0,0,0,2|0,0,2]=4 4808 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 527a_100000185738_100016274230 [0,0,0,0,0,2|0,0,2]=4 4809 B14R1.86 CC/C=C\CC(=O)CCc1ccco1 1458a_100000185103_100103147603 [0,0,0,0,0,2|0,0,2]=4 4810 B14R1.86 CCC#CCC(=O)CCc1ccco1 1458a_100000185103_100009813939 [0,0,0,0,0,2|0,0,2]=4 4811 B14R1.86 CCCC#CC(=O)NCc1ccco1 240690a_100000185738_200011218047 [0,0,0,0,0,2|0,0,2]=4 4812 B14R1.86 CCCC=CC(=O)NCc1ccco1 11a_100000185738_100000212230 [0,0,0,0,0,2|0,0,2]=4 4813 B14R1.86 CCCC=CC(=O)NCc1ccco1 1626a_100000185738_100000212230 [0,0,0,0,0,2|0,0,2]=4 4814 B14R1.86 CCCC=CC(=O)NCc1ccco1 240690a_100000185738_100000212230 [0,0,0,0,0,2|0,0,2]=4 4815 B14R1.86 CCCCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210326 [0,0,0,0,0,2|2,0,0]=4 4816 B14R1.86 CCCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210326 [0,0,0,0,0,2|0,1,0]=3 4817 B14R1.86 CCCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210326 [0,0,0,0,0,2|2,0,0]=4 4818 B14R1.86 CCCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210326 [0,0,0,0,0,2|2,0,0]=4 4819 B14R1.86 CCCCCC(=O)C=Cc1cscn1 1458a_200000747928_100000210326 [0,0,0,0,0,2|2,0,0]=4 4820 B14R1.86 CCCCCC(=O)C=Cc1nccs1 1458a_100102558208_100000210326 [0,0,0,0,0,2|1,1,0]=4 4821 B14R1.86 CCCCCC(=O)C=Cc1nccs1 6a_100000750902_100011215151 [0,0,0,0,0,2|1,1,0]=4 4822 B14R1.86 CCCCCC(=O)CCc1c[nH]cn1 1458a_100000212188_100020628418 [0,0,0,0,0,2|2,0,0]=4 4823 B14R1.86 CCCCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210326 [0,0,0,0,0,2|2,0,0]=4 4824 B14R1.86 CCCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210326 [0,0,0,0,0,2|1,0,0]=3 4825 B14R1.86 CCCCCC(=O)CCc1ccco1 1458a_100000185103_100000210326 [0,0,0,0,0,2|0,0,0]=2 4826 B14R1.86 CCCCCC(=O)CCc1cccs1 1458a_100000185280_100000210326 [0,0,0,0,0,2|0,1,0]=3 4827 B14R1.86 CCCCCC(=O)CCc1cccs1 1458a_100000212188_100000748579 [0,0,0,0,0,2|0,1,0]=3 4828 B14R1.86 CCCCCC(=O)CCc1ccsc1 1458a_100000195497_100000210326 [0,0,0,0,0,2|2,0,0]=4 4829 B14R1.86 CCCCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210326 [0,0,0,0,0,2|2,0,0]=4 4830 B14R1.86 CCCCCC(=O)CCc1cncs1 1458a_100012184922_100000210326 [0,0,0,0,0,2|1,1,0]=4 4831 B14R1.86 CCCCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210326 [0,0,0,0,0,2|2,0,0]=4 4832 B14R1.86 CCCCCC(=O)CCc1nccs1 1458a_100000742873_100000210326 [0,0,0,0,0,2|1,1,0]=4 4833 B14R1.86 CCCCCC(=O)CCn1cccc1 1458a_100000212188_200000035178 [0,0,0,0,0,2|2,0,0]=4 4834 B14R1.86 CCCCCC(=O)CCn1cccc1 1458a_100011196273_100000210326 [0,0,0,0,0,2|2,0,0]=4 4835 B14R1.86 CCCCCC(=O)CCn1cccn1 1458a_100000212188_100000685285 [0,0,0,0,0,2|2,0,0]=4 4836 B14R1.86 CCCCCC(=O)CCn1cccn1 1458a_100000242649_100000210326 [0,0,0,0,0,2|2,0,0]=4 4837 B14R1.86 CCCCCC(=O)COc1ccsc1 34a_100000106738_200012276598 [0,0,0,0,0,2|2,0,0]=4 4838 B14R1.86 CCCCCC(=O)COc1ccsc1 7a_100000106738_200012276598 [0,0,0,0,0,2|2,0,0]=4 4839 B14R1.86 CCCCCC(=O)CSc1c[nH]cn1 62a_100000756875_200012276598 [0,0,0,0,0,2|2,0,0]=4 4840 B14R1.86 CCCCCC(=O)CSc1c[nH]cn1 62a_200012276598_100000756875 [0,0,0,0,0,2|2,0,0]=4 4841 B14R1.86 CCCCCC(=O)CSc1cc[nH]n1 62a_100000062575_200012276598 [0,0,0,0,0,2|2,0,0]=4 4842 B14R1.86 CCCCCC(=O)CSc1cc[nH]n1 62a_200012276598_100000062575 [0,0,0,0,0,2|2,0,0]=4 4843 B14R1.86 CCCCCC(=O)CSc1ccco1 62a_100009814098_200012276598 [0,0,0,0,0,2|0,0,0]=2 4844 B14R1.86 CCCCCC(=O)CSc1ccco1 62a_200012276598_100009814098 [0,0,0,0,0,2|0,0,0]=2 4845 B14R1.86 CCCCCC(=O)CSc1cccs1 62a_100011215356_200012276598 [0,0,0,0,0,2|0,1,0]=3 4846 B14R1.86 CCCCCC(=O)CSc1cccs1 62a_200012276598_100011215356 [0,0,0,0,0,2|0,1,0]=3 4847 B14R1.86 CCCCCC(=O)CSc1ccoc1 62a_100011215275_200012276598 [0,0,0,0,0,2|2,0,0]=4 4848 B14R1.86 CCCCCC(=O)CSc1ccoc1 62a_200012276598_100011215275 [0,0,0,0,0,2|2,0,0]=4 4849 B14R1.86 CCCCCC(=O)CSc1ccon1 62a_100009818083_200012276598 [0,0,0,0,0,2|2,0,0]=4 4850 B14R1.86 CCCCCC(=O)CSc1ccon1 62a_200012276598_100009818083 [0,0,0,0,0,2|2,0,0]=4 4851 B14R1.86 CCCCCC(=O)CSc1ccsc1 62a_100000738268_200012276598 [0,0,0,0,0,2|2,0,0]=4 4852 B14R1.86 CCCCCC(=O)CSc1ccsc1 62a_200012276598_100000738268 [0,0,0,0,0,2|2,0,0]=4 4853 B14R1.86 CCCCCC(=O)CSc1ccsn1 62a_100009818082_200012276598 [0,0,0,0,0,2|2,0,0]=4 4854 B14R1.86 CCCCCC(=O)CSc1ccsn1 62a_200012276598_100009818082 [0,0,0,0,0,2|2,0,0]=4 4855 B14R1.86 CCCCCC(=O)CSc1cnco1 62a_100020591547_200012276598 [0,0,0,0,0,2|1,0,0]=3 4856 B14R1.86 CCCCCC(=O)CSc1cnco1 62a_200012276598_100020591547 [0,0,0,0,0,2|1,0,0]=3 4857 B14R1.86 CCCCCC(=O)CSc1cncs1 62a_100011934649_200012276598 [0,0,0,0,0,2|1,1,0]=4 4858 B14R1.86 CCCCCC(=O)CSc1cncs1 62a_200012276598_100011934649 [0,0,0,0,0,2|1,1,0]=4 4859 B14R1.86 CCCCCC(=O)CSc1cscn1 62a_100000751502_200012276598 [0,0,0,0,0,2|2,0,0]=4 4860 B14R1.86 CCCCCC(=O)CSc1cscn1 62a_200012276598_100000751502 [0,0,0,0,0,2|2,0,0]=4 4861 B14R1.86 CCCCCC(=O)CSc1ncc[nH]1 62a_100025796157_200012276598 [0,0,0,0,0,2|2,0,0]=4 4862 B14R1.86 CCCCCC(=O)CSc1ncc[nH]1 62a_200012276598_100025796157 [0,0,0,0,0,2|2,0,0]=4 4863 B14R1.86 CCCCCC(=O)CSc1ncco1 62a_100011787736_200012276598 [0,0,0,0,0,2|1,0,0]=3 4864 B14R1.86 CCCCCC(=O)CSc1ncco1 62a_200012276598_100011787736 [0,0,0,0,0,2|1,0,0]=3 4865 B14R1.86 CCCCCC(=O)CSc1nccs1 62a_100000211983_200012276598 [0,0,0,0,0,2|1,1,0]=4 4866 B14R1.86 CCCCCC(=O)CSc1nccs1 62a_200012276598_100000211983 [0,0,0,0,0,2|1,1,0]=4 4867 B14R1.86 CCCCCC(=O)NCc1c[nH]cn1 11a_100000758547_100000212188 [0,0,0,0,0,2|2,0,0]=4 4868 B14R1.86 CCCCCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000212188 [0,0,0,0,0,2|2,0,0]=4 4869 B14R1.86 CCCCCC(=O)NCc1c[nH]cn1 527a_100000758547_100000212188 [0,0,0,0,0,2|2,0,0]=4 4870 B14R1.86 CCCCCC(=O)NCc1cc[nH]n1 11a_100000739516_100000212188 [0,0,0,0,0,2|2,0,0]=4 4871 B14R1.86 CCCCCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000212188 [0,0,0,0,0,2|2,0,0]=4 4872 B14R1.86 CCCCCC(=O)NCc1cc[nH]n1 527a_100000739516_100000212188 [0,0,0,0,0,2|2,0,0]=4 4873 B14R1.86 CCCCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000212188 [0,0,0,0,0,2|1,0,0]=3 4874 B14R1.86 CCCCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000212188 [0,0,0,0,0,2|1,0,0]=3 4875 B14R1.86 CCCCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000212188 [0,0,0,0,0,2|1,0,0]=3 4876 B14R1.86 CCCCCC(=O)NCc1ccco1 11a_100000185738_100000212188 [0,0,0,0,0,2|0,0,0]=2 4877 B14R1.86 CCCCCC(=O)NCc1ccco1 1626a_100000185738_100000212188 [0,0,0,0,0,2|0,0,0]=2 4878 B14R1.86 CCCCCC(=O)NCc1ccco1 240690a_100000185738_100000212188 [0,0,0,0,0,2|0,0,0]=2 4879 B14R1.86 CCCCCC(=O)NCc1ccco1 527a_100000185738_100000212188 [0,0,0,0,0,2|0,0,0]=2 4880 B14R1.86 CCCCCC(=O)NCc1cccs1 11a_100000211653_100000212188 [0,0,0,0,0,2|0,1,0]=3 4881 B14R1.86 CCCCCC(=O)NCc1cccs1 1626a_100000211653_100000212188 [0,0,0,0,0,2|0,1,0]=3 4882 B14R1.86 CCCCCC(=O)NCc1cccs1 240690a_100000211653_100000212188 [0,0,0,0,0,2|0,1,0]=3 4883 B14R1.86 CCCCCC(=O)NCc1cccs1 527a_100000211653_100000212188 [0,0,0,0,0,2|0,1,0]=3 4884 B14R1.86 CCCCCC(=O)NCc1ccoc1 11a_100015206860_100000212188 [0,0,0,0,0,2|2,0,0]=4 4885 B14R1.86 CCCCCC(=O)NCc1ccoc1 1626a_100015206860_100000212188 [0,0,0,0,0,2|2,0,0]=4 4886 B14R1.86 CCCCCC(=O)NCc1ccoc1 240690a_100015206860_100000212188 [0,0,0,0,0,2|2,0,0]=4 4887 B14R1.86 CCCCCC(=O)NCc1ccoc1 527a_100015206860_100000212188 [0,0,0,0,0,2|2,0,0]=4 4888 B14R1.86 CCCCCC(=O)NCc1ccon1 11a_100000688301_100000212188 [0,0,0,0,0,2|2,0,0]=4 4889 B14R1.86 CCCCCC(=O)NCc1ccon1 240690a_100000688301_100000212188 [0,0,0,0,0,2|2,0,0]=4 4890 B14R1.86 CCCCCC(=O)NCc1ccon1 527a_100000688301_100000212188 [0,0,0,0,0,2|2,0,0]=4 4891 B14R1.86 CCCCCC(=O)NCc1ccsc1 11a_100000186416_100000212188 [0,0,0,0,0,2|2,0,0]=4 4892 B14R1.86 CCCCCC(=O)NCc1ccsc1 1626a_100000186416_100000212188 [0,0,0,0,0,2|2,0,0]=4 4893 B14R1.86 CCCCCC(=O)NCc1ccsc1 240690a_100000186416_100000212188 [0,0,0,0,0,2|2,0,0]=4 4894 B14R1.86 CCCCCC(=O)NCc1ccsc1 527a_100000186416_100000212188 [0,0,0,0,0,2|2,0,0]=4 4895 B14R1.86 CCCCCC(=O)NCc1cnco1 11a_100020634212_100000212188 [0,0,0,0,0,2|1,0,0]=3 4896 B14R1.86 CCCCCC(=O)NCc1cnco1 240690a_100020634212_100000212188 [0,0,0,0,0,2|1,0,0]=3 4897 B14R1.86 CCCCCC(=O)NCc1cnco1 527a_100020634212_100000212188 [0,0,0,0,0,2|1,0,0]=3 4898 B14R1.86 CCCCCC(=O)NCc1cncs1 11a_100016987365_100000212188 [0,0,0,0,0,2|1,1,0]=4 4899 B14R1.86 CCCCCC(=O)NCc1cncs1 240690a_100016987365_100000212188 [0,0,0,0,0,2|1,1,0]=4 4900 B14R1.86 CCCCCC(=O)NCc1cncs1 527a_100016987365_100000212188 [0,0,0,0,0,2|1,1,0]=4 4901 B14R1.86 CCCCCC(=O)NCc1cocn1 11a_100015188801_100000212188 [0,0,0,0,0,2|2,0,0]=4 4902 B14R1.86 CCCCCC(=O)NCc1cocn1 240690a_100015188801_100000212188 [0,0,0,0,0,2|2,0,0]=4 4903 B14R1.86 CCCCCC(=O)NCc1cocn1 527a_100015188801_100000212188 [0,0,0,0,0,2|2,0,0]=4 4904 B14R1.86 CCCCCC(=O)NCc1cscn1 11a_100015185402_100000212188 [0,0,0,0,0,2|2,0,0]=4 4905 B14R1.86 CCCCCC(=O)NCc1cscn1 1626a_100015185402_100000212188 [0,0,0,0,0,2|2,0,0]=4 4906 B14R1.86 CCCCCC(=O)NCc1cscn1 240690a_100015185402_100000212188 [0,0,0,0,0,2|2,0,0]=4 4907 B14R1.86 CCCCCC(=O)NCc1cscn1 527a_100015185402_100000212188 [0,0,0,0,0,2|2,0,0]=4 4908 B14R1.86 CCCCCC(=O)NCc1ncc[nH]1 11a_100000754540_100000212188 [0,0,0,0,0,2|2,0,0]=4 4909 B14R1.86 CCCCCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000212188 [0,0,0,0,0,2|2,0,0]=4 4910 B14R1.86 CCCCCC(=O)NCc1ncc[nH]1 527a_100000754540_100000212188 [0,0,0,0,0,2|2,0,0]=4 4911 B14R1.86 CCCCCC(=O)NCc1ncco1 11a_100016994969_100000212188 [0,0,0,0,0,2|1,0,0]=3 4912 B14R1.86 CCCCCC(=O)NCc1ncco1 1626a_100016994969_100000212188 [0,0,0,0,0,2|1,0,0]=3 4913 B14R1.86 CCCCCC(=O)NCc1ncco1 240690a_100016994969_100000212188 [0,0,0,0,0,2|1,0,0]=3 4914 B14R1.86 CCCCCC(=O)NCc1ncco1 527a_100016994969_100000212188 [0,0,0,0,0,2|1,0,0]=3 4915 B14R1.86 CCCCCC(=O)NCc1nccs1 11a_100000740555_100000212188 [0,0,0,0,0,2|1,1,0]=4 4916 B14R1.86 CCCCCC(=O)NCc1nccs1 1626a_100000740555_100000212188 [0,0,0,0,0,2|1,1,0]=4 4917 B14R1.86 CCCCCC(=O)NCc1nccs1 240690a_100000740555_100000212188 [0,0,0,0,0,2|1,1,0]=4 4918 B14R1.86 CCCCCC(=O)NCc1nccs1 527a_100000740555_100000212188 [0,0,0,0,0,2|1,1,0]=4 4919 B14R1.86 CCCCCC(=O)NN=C1C=CCC1 4a_100000189784_100000239507 [0,0,0,0,0,2|1,0,1]=4 4920 B14R1.86 CCCCCC(=O)NN=C1CC=CC1 4a_100000189784_100000766571 [0,0,0,0,0,2|1,0,1]=4 4921 B14R1.86 CCCCCC(=O)NNc1nccs1 22a_100011198208_100000212188 [0,0,0,0,0,2|1,1,0]=4 4922 B14R1.86 CCCCCC(C)NCc1ccco1 207a_100000211957_100000186105 [0,0,0,0,0,2|1,0,1]=4 4923 B14R1.86 CCCCCC(C)NCc1ccco1 2230a_100000185738_200011218191 [0,0,0,0,0,2|1,0,1]=4 4924 B14R1.86 CCCCCC(C)NCc1ccco1 270004a_100000185738_100000211708 [0,0,0,0,0,2|1,0,1]=4 4925 B14R1.86 CCCCCC(C)NCc1ccco1 270004a_100000211957_100000186105 [0,0,0,0,0,2|1,0,1]=4 4926 B14R1.86 CCCCCC(C)NCc1ccco1 34a_100000185738_200011218191 [0,0,0,0,0,2|1,0,1]=4 4927 B14R1.86 CCCCCC(C)OCc1ccco1 34a_100000210059_200011218191 [0,0,0,0,0,2|1,0,1]=4 4928 B14R1.86 CCCCNC(=O)C=Cc1cccs1 11a_100000102301_100000182767 [0,0,0,0,0,2|1,1,0]=4 4929 B14R1.86 CCCCNC(=O)C=Cc1cccs1 1626a_100000102301_100000182767 [0,0,0,0,0,2|1,1,0]=4 4930 B14R1.86 CCCCNC(=O)C=Cc1cccs1 240690a_100000102301_100000182767 [0,0,0,0,0,2|1,1,0]=4 4931 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 11a_100000102301_200011998680 [0,0,0,0,0,2|2,0,0]=4 4932 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 240690a_100000102301_200011998680 [0,0,0,0,0,2|2,0,0]=4 4933 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 527a_100000102301_200011998680 [0,0,0,0,0,2|2,0,0]=4 4934 B14R1.86 CCCCNC(=O)CCc1ccco1 11a_100000102301_100000185103 [0,0,0,0,0,2|1,0,0]=3 4935 B14R1.86 CCCCNC(=O)CCc1ccco1 1626a_100000102301_100000185103 [0,0,0,0,0,2|1,0,0]=3 4936 B14R1.86 CCCCNC(=O)CCc1ccco1 527a_100000102301_100000185103 [0,0,0,0,0,2|1,0,0]=3 4937 B14R1.86 CCCCNC(=O)CCc1cccs1 11a_100000102301_100000185280 [0,0,0,0,0,2|1,1,0]=4 4938 B14R1.86 CCCCNC(=O)CCc1cccs1 1626a_100000102301_100000185280 [0,0,0,0,0,2|1,1,0]=4 4939 B14R1.86 CCCCNC(=O)CCc1cccs1 240690a_100000102301_100000185280 [0,0,0,0,0,2|1,1,0]=4 4940 B14R1.86 CCCCNC(=O)CCc1cccs1 527a_100000102301_100000185280 [0,0,0,0,0,2|1,1,0]=4 4941 B14R1.86 CCCCNC(=O)CSc1ccco1 62a_100000182744_100009814098 [0,0,0,0,0,2|1,0,0]=3 4942 B14R1.86 CCCCNC(=O)CSc1ccco1 62a_100009814098_100000182744 [0,0,0,0,0,2|1,0,0]=3 4943 B14R1.86 CCCCNC(=O)CSc1cccs1 62a_100000182744_100011215356 [0,0,0,0,0,2|1,1,0]=4 4944 B14R1.86 CCCCNC(=O)CSc1cccs1 62a_100011215356_100000182744 [0,0,0,0,0,2|1,1,0]=4 4945 B14R1.86 CCCCNC(=O)CSc1cnco1 62a_100000182744_100020591547 [0,0,0,0,0,2|2,0,0]=4 4946 B14R1.86 CCCCNC(=O)CSc1cnco1 62a_100020591547_100000182744 [0,0,0,0,0,2|2,0,0]=4 4947 B14R1.86 CCCCNC(=O)CSc1ncco1 62a_100000182744_100011787736 [0,0,0,0,0,2|2,0,0]=4 4948 B14R1.86 CCCCNC(=O)CSc1ncco1 62a_100011787736_100000182744 [0,0,0,0,0,2|2,0,0]=4 4949 B14R1.86 CCCCNC(=O)NCc1ccc[nH]1 273464a_100000102301_100000764082 [0,0,0,0,0,2|2,0,0]=4 4950 B14R1.86 CCCCNC(=O)NCc1ccc[nH]1 273464a_100000764082_100000102301 [0,0,0,0,0,2|2,0,0]=4 4951 B14R1.86 CCCCNC(=O)NCc1ccc[nH]1 512a_100000102301_100000764082 [0,0,0,0,0,2|2,0,0]=4 4952 B14R1.86 CCCCNC(=O)NCc1ccco1 2708a_100000102301_100000185738 [0,0,0,0,0,2|1,0,0]=3 4953 B14R1.86 CCCCNC(=O)NCc1ccco1 2708a_100000185738_100000102301 [0,0,0,0,0,2|1,0,0]=3 4954 B14R1.86 CCCCNC(=O)NCc1ccco1 273464a_100000185738_100000102301 [0,0,0,0,0,2|1,0,0]=3 4955 B14R1.86 CCCCNC(=O)NCc1ccco1 512a_100000102301_100000185738 [0,0,0,0,0,2|1,0,0]=3 4956 B14R1.86 CCCCNC(=O)NCc1ccco1 512a_100000185738_100000102301 [0,0,0,0,0,2|1,0,0]=3 4957 B14R1.86 CCCCNC(=O)NCc1cccs1 2708a_100000102301_100000211653 [0,0,0,0,0,2|1,1,0]=4 4958 B14R1.86 CCCCNC(=O)NCc1cccs1 2708a_100000211653_100000102301 [0,0,0,0,0,2|1,1,0]=4 4959 B14R1.86 CCCCNC(=O)NCc1cccs1 273464a_100000102301_100000211653 [0,0,0,0,0,2|1,1,0]=4 4960 B14R1.86 CCCCNC(=O)NCc1cccs1 273464a_100000211653_100000102301 [0,0,0,0,0,2|1,1,0]=4 4961 B14R1.86 CCCCNC(=O)NCc1cccs1 512a_100000102301_100000211653 [0,0,0,0,0,2|1,1,0]=4 4962 B14R1.86 CCCCNC(=O)NCc1cccs1 512a_100000211653_100000102301 [0,0,0,0,0,2|1,1,0]=4 4963 B14R1.86 CCCCNC(=O)NCc1cnco1 2708a_100000102301_100020634212 [0,0,0,0,0,2|2,0,0]=4 4964 B14R1.86 CCCCNC(=O)NCc1cnco1 2708a_100020634212_100000102301 [0,0,0,0,0,2|2,0,0]=4 4965 B14R1.86 CCCCNC(=O)NCc1cnco1 273464a_100000102301_100020634212 [0,0,0,0,0,2|2,0,0]=4 4966 B14R1.86 CCCCNC(=O)NCc1cnco1 273464a_100020634212_100000102301 [0,0,0,0,0,2|2,0,0]=4 4967 B14R1.86 CCCCNC(=O)NCc1cnco1 512a_100000102301_100020634212 [0,0,0,0,0,2|2,0,0]=4 4968 B14R1.86 CCCCNC(=O)NCc1cnco1 512a_100020634212_100000102301 [0,0,0,0,0,2|2,0,0]=4 4969 B14R1.86 CCCCNC(=O)NCc1ncco1 2708a_100000102301_100016994969 [0,0,0,0,0,2|2,0,0]=4 4970 B14R1.86 CCCCNC(=O)NCc1ncco1 2708a_100016994969_100000102301 [0,0,0,0,0,2|2,0,0]=4 4971 B14R1.86 CCCCNC(=O)NCc1ncco1 273464a_100000102301_100016994969 [0,0,0,0,0,2|2,0,0]=4 4972 B14R1.86 CCCCNC(=O)NCc1ncco1 273464a_100016994969_100000102301 [0,0,0,0,0,2|2,0,0]=4 4973 B14R1.86 CCCCNC(=O)NCc1ncco1 512a_100000102301_100016994969 [0,0,0,0,0,2|2,0,0]=4 4974 B14R1.86 CCCCNC(=O)NCc1ncco1 512a_100016994969_100000102301 [0,0,0,0,0,2|2,0,0]=4 4975 B14R1.86 CCCCOC(=O)CSc1ccco1 62a_100000211628_100009814098 [0,0,0,0,0,2|1,0,0]=3 4976 B14R1.86 CCCCOC(=O)CSc1ccco1 62a_100009814098_100000211628 [0,0,0,0,0,2|1,0,0]=3 4977 B14R1.86 CCCCOC(=O)CSc1cccs1 62a_100000211628_100011215356 [0,0,0,0,0,2|1,1,0]=4 4978 B14R1.86 CCCCOC(=O)CSc1cccs1 62a_100011215356_100000211628 [0,0,0,0,0,2|1,1,0]=4 4979 B14R1.86 CCCCOC(=O)CSc1cnco1 62a_100000211628_100020591547 [0,0,0,0,0,2|2,0,0]=4 4980 B14R1.86 CCCCOC(=O)CSc1cnco1 62a_100020591547_100000211628 [0,0,0,0,0,2|2,0,0]=4 4981 B14R1.86 CCCCOC(=O)CSc1ncco1 62a_100000211628_100011787736 [0,0,0,0,0,2|2,0,0]=4 4982 B14R1.86 CCCCOC(=O)CSc1ncco1 62a_100011787736_100000211628 [0,0,0,0,0,2|2,0,0]=4 4983 B14R1.86 CCCNCC(=O)NCc1ccco1 2230a_100000741066_100000210303 [0,0,0,0,0,2|1,0,0]=3 4984 B14R1.86 CCCNNC(=O)C=Cc1ccco1 22a_100000740057_100000720202 [0,0,0,0,0,2|2,0,0]=4 4985 B14R1.86 CCCNNC(=O)CCc1ccco1 22a_100000740057_100000185103 [0,0,0,0,0,2|2,0,0]=4 4986 B14R1.86 CCCNNC(=O)NCc1ccco1 273464a_100000185738_100000740057 [0,0,0,0,0,2|2,0,0]=4 4987 B14R1.86 CCCNNC(=O)NCc1ccco1 512a_100000185738_100000740057 [0,0,0,0,0,2|2,0,0]=4 4988 B14R1.86 CCCNNC(=O)NCc1ccco1 512a_100000740057_100000185738 [0,0,0,0,0,2|2,0,0]=4 4989 B14R1.86 CCCOCC(=O)CCc1cccs1 1458a_100000745993_100000748579 [0,0,0,0,0,2|1,1,0]=4 4990 B14R1.86 CCCOCC(=O)NCc1ccc[nH]1 11a_100000764082_100000745993 [0,0,0,0,0,2|2,0,0]=4 4991 B14R1.86 CCCOCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000745993 [0,0,0,0,0,2|2,0,0]=4 4992 B14R1.86 CCCOCC(=O)NCc1ccc[nH]1 527a_100000764082_100000745993 [0,0,0,0,0,2|2,0,0]=4 4993 B14R1.86 CCCOCC(=O)NCc1ccco1 11a_100000185738_100000745993 [0,0,0,0,0,2|1,0,0]=3 4994 B14R1.86 CCCOCC(=O)NCc1ccco1 1626a_100000185738_100000745993 [0,0,0,0,0,2|1,0,0]=3 4995 B14R1.86 CCCOCC(=O)NCc1ccco1 240690a_100000185738_100000745993 [0,0,0,0,0,2|1,0,0]=3 4996 B14R1.86 CCCOCC(=O)NCc1ccco1 34a_100000210258_100000183421 [0,0,0,0,0,2|1,0,0]=3 4997 B14R1.86 CCCOCC(=O)NCc1ccco1 527a_100000185738_100000745993 [0,0,0,0,0,2|1,0,0]=3 4998 B14R1.86 CCCOCC(=O)NCc1cccs1 11a_100000211653_100000745993 [0,0,0,0,0,2|1,1,0]=4 4999 B14R1.86 CCCOCC(=O)NCc1cccs1 1626a_100000211653_100000745993 [0,0,0,0,0,2|1,1,0]=4 5000 B14R1.86 CCCOCC(=O)NCc1cccs1 240690a_100000211653_100000745993 [0,0,0,0,0,2|1,1,0]=4 5001 B14R1.86 CCCOCC(=O)NCc1cccs1 34a_100000210258_100000182718 [0,0,0,0,0,2|1,1,0]=4 5002 B14R1.86 CCCOCC(=O)NCc1cccs1 527a_100000211653_100000745993 [0,0,0,0,0,2|1,1,0]=4 5003 B14R1.86 CCCOCC(=O)NCc1cnco1 11a_100020634212_100000745993 [0,0,0,0,0,2|2,0,0]=4 5004 B14R1.86 CCCOCC(=O)NCc1cnco1 240690a_100020634212_100000745993 [0,0,0,0,0,2|2,0,0]=4 5005 B14R1.86 CCCOCC(=O)NCc1cnco1 527a_100020634212_100000745993 [0,0,0,0,0,2|2,0,0]=4 5006 B14R1.86 CCCOCC(=O)NCc1ncco1 11a_100016994969_100000745993 [0,0,0,0,0,2|2,0,0]=4 5007 B14R1.86 CCCOCC(=O)NCc1ncco1 1626a_100016994969_100000745993 [0,0,0,0,0,2|2,0,0]=4 5008 B14R1.86 CCCOCC(=O)NCc1ncco1 240690a_100016994969_100000745993 [0,0,0,0,0,2|2,0,0]=4 5009 B14R1.86 CCCOCC(=O)NCc1ncco1 527a_100016994969_100000745993 [0,0,0,0,0,2|2,0,0]=4 5010 B14R1.86 CCCSCC(=O)CCc1cccs1 1458a_100000217233_100000748579 [0,0,0,0,0,2|1,1,0]=4 5011 B14R1.86 CCCSCC(=O)NCc1ccc[nH]1 11a_100000764082_100000217233 [0,0,0,0,0,2|2,0,0]=4 5012 B14R1.86 CCCSCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000217233 [0,0,0,0,0,2|2,0,0]=4 5013 B14R1.86 CCCSCC(=O)NCc1ccc[nH]1 527a_100000764082_100000217233 [0,0,0,0,0,2|2,0,0]=4 5014 B14R1.86 CCCSCC(=O)NCc1ccco1 11a_100000185738_100000217233 [0,0,0,0,0,2|1,0,0]=3 5015 B14R1.86 CCCSCC(=O)NCc1ccco1 1626a_100000185738_100000217233 [0,0,0,0,0,2|1,0,0]=3 5016 B14R1.86 CCCSCC(=O)NCc1ccco1 240690a_100000185738_100000217233 [0,0,0,0,0,2|1,0,0]=3 5017 B14R1.86 CCCSCC(=O)NCc1ccco1 527a_100000185738_100000217233 [0,0,0,0,0,2|1,0,0]=3 5018 B14R1.86 CCCSCC(=O)NCc1ccco1 62a_100000183421_100000210303 [0,0,0,0,0,2|1,0,0]=3 5019 B14R1.86 CCCSCC(=O)NCc1ccco1 62a_100000210303_100000183421 [0,0,0,0,0,2|1,0,0]=3 5020 B14R1.86 CCCSCC(=O)NCc1cccs1 11a_100000211653_100000217233 [0,0,0,0,0,2|1,1,0]=4 5021 B14R1.86 CCCSCC(=O)NCc1cccs1 1626a_100000211653_100000217233 [0,0,0,0,0,2|1,1,0]=4 5022 B14R1.86 CCCSCC(=O)NCc1cccs1 240690a_100000211653_100000217233 [0,0,0,0,0,2|1,1,0]=4 5023 B14R1.86 CCCSCC(=O)NCc1cccs1 527a_100000211653_100000217233 [0,0,0,0,0,2|1,1,0]=4 5024 B14R1.86 CCCSCC(=O)NCc1cccs1 62a_100000182718_100000210303 [0,0,0,0,0,2|1,1,0]=4 5025 B14R1.86 CCCSCC(=O)NCc1cccs1 62a_100000210303_100000182718 [0,0,0,0,0,2|1,1,0]=4 5026 B14R1.86 CCCSCC(=O)NCc1cnco1 11a_100020634212_100000217233 [0,0,0,0,0,2|2,0,0]=4 5027 B14R1.86 CCCSCC(=O)NCc1cnco1 240690a_100020634212_100000217233 [0,0,0,0,0,2|2,0,0]=4 5028 B14R1.86 CCCSCC(=O)NCc1cnco1 527a_100020634212_100000217233 [0,0,0,0,0,2|2,0,0]=4 5029 B14R1.86 CCCSCC(=O)NCc1ncco1 11a_100016994969_100000217233 [0,0,0,0,0,2|2,0,0]=4 5030 B14R1.86 CCCSCC(=O)NCc1ncco1 1626a_100016994969_100000217233 [0,0,0,0,0,2|2,0,0]=4 5031 B14R1.86 CCCSCC(=O)NCc1ncco1 240690a_100016994969_100000217233 [0,0,0,0,0,2|2,0,0]=4 5032 B14R1.86 CCCSCC(=O)NCc1ncco1 527a_100016994969_100000217233 [0,0,0,0,0,2|2,0,0]=4 5033 B14R1.86 CCNCCC(=O)NCc1ccco1 2230a_100015525214_200011194439 [0,0,0,0,0,2|1,0,0]=3 5034 B14R1.86 CCOCCC(=O)C=Cc1cccs1 1458a_100000182767_100011215890 [0,0,0,0,0,2|1,1,0]=4 5035 B14R1.86 CCOCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100011215890 [0,0,0,0,0,2|2,0,0]=4 5036 B14R1.86 CCOCCC(=O)CCc1ccco1 1458a_100000185103_100011215890 [0,0,0,0,0,2|1,0,0]=3 5037 B14R1.86 CCOCCC(=O)CCc1cccs1 1458a_100000185280_100011215890 [0,0,0,0,0,2|1,1,0]=4 5038 B14R1.86 CCOCCC(=O)CCc1cccs1 1458a_100000749530_100000748579 [0,0,0,0,0,2|1,1,0]=4 5039 B14R1.86 CCOCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000749530 [0,0,0,0,0,2|2,0,0]=4 5040 B14R1.86 CCOCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000749530 [0,0,0,0,0,2|2,0,0]=4 5041 B14R1.86 CCOCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000749530 [0,0,0,0,0,2|2,0,0]=4 5042 B14R1.86 CCOCCC(=O)NCc1ccco1 11a_100000185738_100000749530 [0,0,0,0,0,2|1,0,0]=3 5043 B14R1.86 CCOCCC(=O)NCc1ccco1 1626a_100000185738_100000749530 [0,0,0,0,0,2|1,0,0]=3 5044 B14R1.86 CCOCCC(=O)NCc1ccco1 240690a_100000185738_100000749530 [0,0,0,0,0,2|1,0,0]=3 5045 B14R1.86 CCOCCC(=O)NCc1ccco1 527a_100000185738_100000749530 [0,0,0,0,0,2|1,0,0]=3 5046 B14R1.86 CCOCCC(=O)NCc1cccs1 11a_100000211653_100000749530 [0,0,0,0,0,2|1,1,0]=4 5047 B14R1.86 CCOCCC(=O)NCc1cccs1 1626a_100000211653_100000749530 [0,0,0,0,0,2|1,1,0]=4 5048 B14R1.86 CCOCCC(=O)NCc1cccs1 240690a_100000211653_100000749530 [0,0,0,0,0,2|1,1,0]=4 5049 B14R1.86 CCOCCC(=O)NCc1cccs1 527a_100000211653_100000749530 [0,0,0,0,0,2|1,1,0]=4 5050 B14R1.86 CCOCCC(=O)NCc1cnco1 11a_100020634212_100000749530 [0,0,0,0,0,2|2,0,0]=4 5051 B14R1.86 CCOCCC(=O)NCc1cnco1 240690a_100020634212_100000749530 [0,0,0,0,0,2|2,0,0]=4 5052 B14R1.86 CCOCCC(=O)NCc1cnco1 527a_100020634212_100000749530 [0,0,0,0,0,2|2,0,0]=4 5053 B14R1.86 CCOCCC(=O)NCc1ncco1 11a_100016994969_100000749530 [0,0,0,0,0,2|2,0,0]=4 5054 B14R1.86 CCOCCC(=O)NCc1ncco1 1626a_100016994969_100000749530 [0,0,0,0,0,2|2,0,0]=4 5055 B14R1.86 CCOCCC(=O)NCc1ncco1 240690a_100016994969_100000749530 [0,0,0,0,0,2|2,0,0]=4 5056 B14R1.86 CCOCCC(=O)NCc1ncco1 527a_100016994969_100000749530 [0,0,0,0,0,2|2,0,0]=4 5057 B14R1.86 CCSCCC(=O)C=Cc1cccs1 1458a_100000182767_100000757381 [0,0,0,0,0,2|1,1,0]=4 5058 B14R1.86 CCSCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000757381 [0,0,0,0,0,2|2,0,0]=4 5059 B14R1.86 CCSCCC(=O)CCc1ccco1 1458a_100000185103_100000757381 [0,0,0,0,0,2|1,0,0]=3 5060 B14R1.86 CCSCCC(=O)CCc1cccs1 1458a_100000185280_100000757381 [0,0,0,0,0,2|1,1,0]=4 5061 B14R1.86 CCSCCC(=O)CCc1cccs1 1458a_100000230768_100000748579 [0,0,0,0,0,2|1,1,0]=4 5062 B14R1.86 CCSCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000230768 [0,0,0,0,0,2|2,0,0]=4 5063 B14R1.86 CCSCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000230768 [0,0,0,0,0,2|2,0,0]=4 5064 B14R1.86 CCSCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000230768 [0,0,0,0,0,2|2,0,0]=4 5065 B14R1.86 CCSCCC(=O)NCc1ccco1 11a_100000185738_100000230768 [0,0,0,0,0,2|1,0,0]=3 5066 B14R1.86 CCSCCC(=O)NCc1ccco1 1626a_100000185738_100000230768 [0,0,0,0,0,2|1,0,0]=3 5067 B14R1.86 CCSCCC(=O)NCc1ccco1 240690a_100000185738_100000230768 [0,0,0,0,0,2|1,0,0]=3 5068 B14R1.86 CCSCCC(=O)NCc1ccco1 527a_100000185738_100000230768 [0,0,0,0,0,2|1,0,0]=3 5069 B14R1.86 CCSCCC(=O)NCc1ccco1 62a_100000210202_200011194439 [0,0,0,0,0,2|1,0,0]=3 5070 B14R1.86 CCSCCC(=O)NCc1ccco1 62a_200011194439_100000210202 [0,0,0,0,0,2|1,0,0]=3 5071 B14R1.86 CCSCCC(=O)NCc1cccs1 11a_100000211653_100000230768 [0,0,0,0,0,2|1,1,0]=4 5072 B14R1.86 CCSCCC(=O)NCc1cccs1 1626a_100000211653_100000230768 [0,0,0,0,0,2|1,1,0]=4 5073 B14R1.86 CCSCCC(=O)NCc1cccs1 240690a_100000211653_100000230768 [0,0,0,0,0,2|1,1,0]=4 5074 B14R1.86 CCSCCC(=O)NCc1cccs1 527a_100000211653_100000230768 [0,0,0,0,0,2|1,1,0]=4 5075 B14R1.86 CCSCCC(=O)NCc1cnco1 11a_100020634212_100000230768 [0,0,0,0,0,2|2,0,0]=4 5076 B14R1.86 CCSCCC(=O)NCc1cnco1 240690a_100020634212_100000230768 [0,0,0,0,0,2|2,0,0]=4 5077 B14R1.86 CCSCCC(=O)NCc1cnco1 527a_100020634212_100000230768 [0,0,0,0,0,2|2,0,0]=4 5078 B14R1.86 CCSCCC(=O)NCc1ncco1 11a_100016994969_100000230768 [0,0,0,0,0,2|2,0,0]=4 5079 B14R1.86 CCSCCC(=O)NCc1ncco1 1626a_100016994969_100000230768 [0,0,0,0,0,2|2,0,0]=4 5080 B14R1.86 CCSCCC(=O)NCc1ncco1 240690a_100016994969_100000230768 [0,0,0,0,0,2|2,0,0]=4 5081 B14R1.86 CCSCCC(=O)NCc1ncco1 527a_100016994969_100000230768 [0,0,0,0,0,2|2,0,0]=4 5082 B14R1.86 COCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000740836 [0,0,0,0,0,2|1,1,0]=4 5083 B14R1.86 COCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000740836 [0,0,0,0,0,2|2,0,0]=4 5084 B14R1.86 COCCCC(=O)CCc1ccco1 1458a_100000185103_100000740836 [0,0,0,0,0,2|1,0,0]=3 5085 B14R1.86 COCCCC(=O)CCc1cccs1 1458a_100000185280_100000740836 [0,0,0,0,0,2|1,1,0]=4 5086 B14R1.86 COCCCC(=O)CCc1cccs1 1458a_100000741012_100000748579 [0,0,0,0,0,2|1,1,0]=4 5087 B14R1.86 COCCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000741012 [0,0,0,0,0,2|2,0,0]=4 5088 B14R1.86 COCCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000741012 [0,0,0,0,0,2|2,0,0]=4 5089 B14R1.86 COCCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000741012 [0,0,0,0,0,2|2,0,0]=4 5090 B14R1.86 COCCCC(=O)NCc1ccco1 11a_100000185738_100000741012 [0,0,0,0,0,2|1,0,0]=3 5091 B14R1.86 COCCCC(=O)NCc1ccco1 1626a_100000185738_100000741012 [0,0,0,0,0,2|1,0,0]=3 5092 B14R1.86 COCCCC(=O)NCc1ccco1 240690a_100000185738_100000741012 [0,0,0,0,0,2|1,0,0]=3 5093 B14R1.86 COCCCC(=O)NCc1ccco1 527a_100000185738_100000741012 [0,0,0,0,0,2|1,0,0]=3 5094 B14R1.86 COCCCC(=O)NCc1cccs1 11a_100000211653_100000741012 [0,0,0,0,0,2|1,1,0]=4 5095 B14R1.86 COCCCC(=O)NCc1cccs1 1626a_100000211653_100000741012 [0,0,0,0,0,2|1,1,0]=4 5096 B14R1.86 COCCCC(=O)NCc1cccs1 240690a_100000211653_100000741012 [0,0,0,0,0,2|1,1,0]=4 5097 B14R1.86 COCCCC(=O)NCc1cccs1 527a_100000211653_100000741012 [0,0,0,0,0,2|1,1,0]=4 5098 B14R1.86 COCCCC(=O)NCc1cnco1 11a_100020634212_100000741012 [0,0,0,0,0,2|2,0,0]=4 5099 B14R1.86 COCCCC(=O)NCc1cnco1 240690a_100020634212_100000741012 [0,0,0,0,0,2|2,0,0]=4 5100 B14R1.86 COCCCC(=O)NCc1cnco1 527a_100020634212_100000741012 [0,0,0,0,0,2|2,0,0]=4 5101 B14R1.86 COCCCC(=O)NCc1ncco1 11a_100016994969_100000741012 [0,0,0,0,0,2|2,0,0]=4 5102 B14R1.86 COCCCC(=O)NCc1ncco1 1626a_100016994969_100000741012 [0,0,0,0,0,2|2,0,0]=4 5103 B14R1.86 COCCCC(=O)NCc1ncco1 240690a_100016994969_100000741012 [0,0,0,0,0,2|2,0,0]=4 5104 B14R1.86 COCCCC(=O)NCc1ncco1 527a_100016994969_100000741012 [0,0,0,0,0,2|2,0,0]=4 5105 B14R1.86 COCCNC(=O)CCc1ccco1 1626a_100000209980_100000185103 [0,0,0,0,0,2|2,0,0]=4 5106 B14R1.86 COCCNC(=O)CCc1ccco1 527a_100000209980_100000185103 [0,0,0,0,0,2|2,0,0]=4 5107 B14R1.86 COCCNC(=O)CSc1ccco1 62a_100000183275_100009814098 [0,0,0,0,0,2|2,0,0]=4 5108 B14R1.86 COCCNC(=O)CSc1ccco1 62a_100009814098_100000183275 [0,0,0,0,0,2|2,0,0]=4 5109 B14R1.86 COCCNC(=O)NCc1ccco1 2708a_100000185738_100000209980 [0,0,0,0,0,2|2,0,0]=4 5110 B14R1.86 COCCNC(=O)NCc1ccco1 273464a_100000185738_100000209980 [0,0,0,0,0,2|2,0,0]=4 5111 B14R1.86 COCCOC(=O)CSc1ccco1 62a_100009814098_200000040189 [0,0,0,0,0,2|2,0,0]=4 5112 B14R1.86 COCCOC(=O)CSc1ccco1 62a_200000040189_100009814098 [0,0,0,0,0,2|2,0,0]=4 5113 B14R1.86 COCNCC(=O)NCc1ccco1 2230a_100000741066_100000766300 [0,0,0,0,0,2|2,0,0]=4 5114 B14R1.86 COCSCC(=O)NCc1ccco1 62a_100000183421_100000766300 [0,0,0,0,0,2|2,0,0]=4 5115 B14R1.86 COCSCC(=O)NCc1ccco1 62a_100000766300_100000183421 [0,0,0,0,0,2|2,0,0]=4 5116 B14R1.86 CSCCCC(=O)CCc1cccs1 1458a_100000173376_100000748579 [0,0,0,0,0,2|1,1,0]=4 5117 B14R1.86 CSCCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000173376 [0,0,0,0,0,2|2,0,0]=4 5118 B14R1.86 CSCCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000173376 [0,0,0,0,0,2|2,0,0]=4 5119 B14R1.86 CSCCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000173376 [0,0,0,0,0,2|2,0,0]=4 5120 B14R1.86 CSCCCC(=O)NCc1ccco1 11a_100000185738_100000173376 [0,0,0,0,0,2|1,0,0]=3 5121 B14R1.86 CSCCCC(=O)NCc1ccco1 1626a_100000185738_100000173376 [0,0,0,0,0,2|1,0,0]=3 5122 B14R1.86 CSCCCC(=O)NCc1ccco1 240690a_100000185738_100000173376 [0,0,0,0,0,2|1,0,0]=3 5123 B14R1.86 CSCCCC(=O)NCc1ccco1 527a_100000185738_100000173376 [0,0,0,0,0,2|1,0,0]=3 5124 B14R1.86 CSCCCC(=O)NCc1cccs1 11a_100000211653_100000173376 [0,0,0,0,0,2|1,1,0]=4 5125 B14R1.86 CSCCCC(=O)NCc1cccs1 1626a_100000211653_100000173376 [0,0,0,0,0,2|1,1,0]=4 5126 B14R1.86 CSCCCC(=O)NCc1cccs1 240690a_100000211653_100000173376 [0,0,0,0,0,2|1,1,0]=4 5127 B14R1.86 CSCCCC(=O)NCc1cccs1 527a_100000211653_100000173376 [0,0,0,0,0,2|1,1,0]=4 5128 B14R1.86 CSCCCC(=O)NCc1cnco1 11a_100020634212_100000173376 [0,0,0,0,0,2|2,0,0]=4 5129 B14R1.86 CSCCCC(=O)NCc1cnco1 240690a_100020634212_100000173376 [0,0,0,0,0,2|2,0,0]=4 5130 B14R1.86 CSCCCC(=O)NCc1cnco1 527a_100020634212_100000173376 [0,0,0,0,0,2|2,0,0]=4 5131 B14R1.86 CSCCCC(=O)NCc1ncco1 11a_100016994969_100000173376 [0,0,0,0,0,2|2,0,0]=4 5132 B14R1.86 CSCCCC(=O)NCc1ncco1 1626a_100016994969_100000173376 [0,0,0,0,0,2|2,0,0]=4 5133 B14R1.86 CSCCCC(=O)NCc1ncco1 240690a_100016994969_100000173376 [0,0,0,0,0,2|2,0,0]=4 5134 B14R1.86 CSCCCC(=O)NCc1ncco1 527a_100016994969_100000173376 [0,0,0,0,0,2|2,0,0]=4 5135 B14R1.86 CSCCNC(=O)CCc1ccco1 11a_100020590264_100000185103 [0,0,0,0,0,2|2,0,0]=4 5136 B14R1.86 CSCCNC(=O)CCc1ccco1 1626a_100020590264_100000185103 [0,0,0,0,0,2|2,0,0]=4 5137 B14R1.86 CSCCNC(=O)CCc1ccco1 527a_100020590264_100000185103 [0,0,0,0,0,2|2,0,0]=4 5138 B14R1.86 CSCCNC(=O)NCc1ccco1 2708a_100000185738_100020590264 [0,0,0,0,0,2|2,0,0]=4 5139 B14R1.86 CSCCNC(=O)NCc1ccco1 2708a_100020590264_100000185738 [0,0,0,0,0,2|2,0,0]=4 5140 B14R1.86 CSCCNC(=O)NCc1ccco1 273464a_100000185738_100020590264 [0,0,0,0,0,2|2,0,0]=4 5141 B14R1.86 CSCCNC(=O)NCc1ccco1 512a_100000185738_100020590264 [0,0,0,0,0,2|2,0,0]=4 5142 B14R1.86 CSCCNC(=O)NCc1ccco1 512a_100020590264_100000185738 [0,0,0,0,0,2|2,0,0]=4 5143 B14R1.86 CSCNCC(=O)NCc1ccco1 2230a_100000741066_100011218213 [0,0,0,0,0,2|2,0,0]=4 5144 B14R1.86 CSCSCC(=O)NCc1ccco1 62a_100000183421_100011218213 [0,0,0,0,0,2|2,0,0]=4 5145 B14R1.86 CSCSCC(=O)NCc1ccco1 62a_100011218213_100000183421 [0,0,0,0,0,2|2,0,0]=4 5146 B14R1.86 N#CCCCC(=O)CCc1ccco1 1458a_100000185103_100000211468 [0,0,0,0,0,2|1,0,1]=4 5147 B14R1.86 N#CCCCC(=O)NCc1ccco1 11a_100000185738_100000075515 [0,0,0,0,0,2|1,0,1]=4 5148 B14R1.86 N#CCCCC(=O)NCc1ccco1 1626a_100000185738_100000075515 [0,0,0,0,0,2|1,0,1]=4 5149 B14R1.86 N#CCCCC(=O)NCc1ccco1 240690a_100000185738_100000075515 [0,0,0,0,0,2|1,0,1]=4 5150 B14R1.86 N#CCCCC(=O)NCc1ccco1 527a_100000185738_100000075515 [0,0,0,0,0,2|1,0,1]=4 5151 B14R1.86 NCCOCC(=O)NCc1ccco1 34a_100000210304_100000183421 [0,0,0,0,0,2|2,0,0]=4 5152 B14R1.86 O=C(C=Cc1cccs1)CCCCF 1458a_100000182767_100000729493 [0,0,0,0,0,2|1,1,0]=4 5153 B14R1.86 O=C(C=Cc1cccs1)CCCCO 1458a_100000182767_100000210776 [0,0,0,0,0,2|1,1,0]=4 5154 B14R1.86 O=C(CCCCF)CCc1ccc[nH]1 1458a_200011998680_100000729493 [0,0,0,0,0,2|2,0,0]=4 5155 B14R1.86 O=C(CCCCF)CCc1ccco1 1458a_100000185103_100000729493 [0,0,0,0,0,2|1,0,0]=3 5156 B14R1.86 O=C(CCCCF)CCc1cccs1 1458a_100000185280_100000729493 [0,0,0,0,0,2|1,1,0]=4 5157 B14R1.86 O=C(CCCCO)CCc1ccc[nH]1 1458a_200011998680_100000210776 [0,0,0,0,0,2|2,0,0]=4 5158 B14R1.86 O=C(CCCCO)CCc1ccco1 1458a_100000185103_100000210776 [0,0,0,0,0,2|1,0,0]=3 5159 B14R1.86 O=C(CCCCO)CCc1cccs1 1458a_100000185280_100000210776 [0,0,0,0,0,2|1,1,0]=4 5160 B14R1.86 O=C(CCCCO)CCc1cccs1 1458a_100000695505_100000748579 [0,0,0,0,0,2|1,1,0]=4 5161 B14R1.86 O=C(CCCCO)NCc1ccco1 1626a_100000185738_100000695505 [0,0,0,0,0,2|1,0,0]=3 5162 B14R1.86 O=C(CCCCO)NCc1cccs1 1626a_100000211653_100000695505 [0,0,0,0,0,2|1,1,0]=4 5163 B14R1.86 O=C(CCCCO)NCc1ncco1 1626a_100016994969_100000695505 [0,0,0,0,0,2|2,0,0]=4 5164 B14R1.86 O=C(CCSCF)NCc1ccco1 62a_100015361967_200011194439 [0,0,0,0,0,2|2,0,0]=4 5165 B14R1.86 O=C(CCSCF)NCc1ccco1 62a_200011194439_100015361967 [0,0,0,0,0,2|2,0,0]=4 5166 B14R1.86 O=C(CCc1ccco1)NCCCF 11a_100015189416_100000185103 [0,0,0,0,0,2|2,0,0]=4 5167 B14R1.86 O=C(CCc1ccco1)NCCCF 1626a_100015189416_100000185103 [0,0,0,0,0,2|2,0,0]=4 5168 B14R1.86 O=C(CCc1ccco1)NCCCF 527a_100015189416_100000185103 [0,0,0,0,0,2|2,0,0]=4 5169 B14R1.86 O=C(CCc1ccco1)NCCCO 527a_100000182051_100000185103 [0,0,0,0,0,2|2,0,0]=4 5170 B14R1.86 O=C(CNCCF)NCc1ccco1 2230a_100000741066_100011217306 [0,0,0,0,0,2|2,0,0]=4 5171 B14R1.86 O=C(CNCCF)NCc1ccco1 34a_100000724931_100000183421 [0,0,0,0,0,2|2,0,0]=4 5172 B14R1.86 O=C(CNCCO)NCc1ccco1 2230a_100000741066_100000211926 [0,0,0,0,0,2|2,0,0]=4 5173 B14R1.86 O=C(CNCCO)NCc1ccco1 2230a_100016997473_100000183421 [0,0,0,0,0,2|2,0,0]=4 5174 B14R1.86 O=C(CNCCO)NCc1ccco1 34a_100016990907_100000183421 [0,0,0,0,0,2|2,0,0]=4 5175 B14R1.86 O=C(COCCBr)NCc1ccco1 34a_100000211926_100000183421 [0,0,0,0,0,2|2,0,0]=4 5176 B14R1.86 O=C(COCCO)NCc1ccco1 1626a_100000185738_100000708028 [0,0,0,0,0,2|2,0,0]=4 5177 B14R1.86 O=C(COCCO)NCc1ccco1 240690a_100000185738_100000708028 [0,0,0,0,0,2|2,0,0]=4 5178 B14R1.86 O=C(CSCCF)NCc1ccco1 62a_100000183421_100011217306 [0,0,0,0,0,2|2,0,0]=4 5179 B14R1.86 O=C(CSCCF)NCc1ccco1 62a_100011217306_100000183421 [0,0,0,0,0,2|2,0,0]=4 5180 B14R1.86 O=C(CSCCO)NCc1ccco1 62a_100000183421_100000211926 [0,0,0,0,0,2|2,0,0]=4 5181 B14R1.86 O=C(CSCCO)NCc1ccco1 62a_100000211926_100000183421 [0,0,0,0,0,2|2,0,0]=4 5182 B14R1.86 O=C(NCCCF)NCc1ccco1 2708a_100000185738_100015189416 [0,0,0,0,0,2|2,0,0]=4 5183 B14R1.86 O=C(NCCCF)NCc1ccco1 2708a_100015189416_100000185738 [0,0,0,0,0,2|2,0,0]=4 5184 B14R1.86 O=C(NCCCF)NCc1ccco1 273464a_100000185738_100015189416 [0,0,0,0,0,2|2,0,0]=4 5185 B14R1.86 O=C(NCCCF)NCc1ccco1 512a_100000185738_100015189416 [0,0,0,0,0,2|2,0,0]=4 5186 B14R1.86 O=C(NCCCF)NCc1ccco1 512a_100015189416_100000185738 [0,0,0,0,0,2|2,0,0]=4 5187 B14R1.86 O=C(NCCCO)NCc1ccco1 2708a_100000185738_100000182051 [0,0,0,0,0,2|2,0,0]=4 5188 B14R1.86 O=C(NCCCO)NCc1ccco1 273464a_100000185738_100000182051 [0,0,0,0,0,2|2,0,0]=4 5189 B14R1.86 O=C(NCCCO)NCc1ccco1 512a_100000185738_100000182051 [0,0,0,0,0,2|2,0,0]=4