0 B18R2.2431 CCCCCN(c1ccccc1)C2CCCC2 2230a_200000219563_100000179811 [0,0,1,0,0,0|2,0,0]=3 1 B18R2.2431 CCCCCN(c1ccccc1)C2CCCC2 269982a_200000219563_100000179811 [0,0,1,0,0,0|2,0,0]=3 2 B18R2.2431 CCCCCN(c1ccccc1)C2CCCC2 34a_200000219563_100000179811 [0,0,1,0,0,0|2,0,0]=3 3 B18R2.2431 CCCCCN(c1ccccc1)C2CCCC2 7a_200000219563_100000179811 [0,0,1,0,0,0|2,0,0]=3 4 B18R2.2431 CCCCCN(c1ccccc1)C2CCOC2 2230a_200000219563_100000731011 [0,0,1,0,0,0|3,0,0]=4 5 B18R2.2431 CCCCCN(c1ccccc1)C2CCOC2 269982a_200000219563_100000731011 [0,0,1,0,0,0|3,0,0]=4 6 B18R2.2431 CCCCCN(c1ccccc1)C2CCOC2 34a_200000219563_100000690089 [0,0,1,0,0,0|3,0,0]=4 7 B18R2.2431 CCCCCN(c1ccccc1)C2CCOC2 7a_200000219563_100000731011 [0,0,1,0,0,0|3,0,0]=4 8 B18R2.2431 CCCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000210211 [0,0,1,0,0,0|2,0,0]=3 9 B18R2.2431 CCCCNC(c1ccccc1)C2CCCC2 269862a_100000102301_100000753715 [0,0,1,0,0,0|2,0,0]=3 10 B18R2.2431 CCCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000210210 [0,0,1,0,0,0|2,0,0]=3 11 B18R2.2431 CCCCNC(c1ccccc1)C2CCNC2 269862a_100000102301_100015189469 [0,0,1,0,0,0|3,0,0]=4 12 B18R2.2431 CCCCNC(c1ccccn1)C2CCCC2 269862a_100000102301_100000764701 [0,0,1,0,0,0|3,0,0]=4 13 B18R2.2431 COCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100011201679 [0,0,1,0,0,0|3,0,0]=4 14 B18R2.2431 COCCNC(c1ccccc1)C2CCCC2 269862a_100000209980_100000753715 [0,0,1,0,0,0|3,0,0]=4 15 B18R2.2431 COCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100011201679 [0,0,1,0,0,0|3,0,0]=4 16 B18R2.2431 CSCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000751147 [0,0,1,0,0,0|3,0,0]=4 17 B18R2.2431 CSCCNC(c1ccccc1)C2CCCC2 269862a_100020590264_100000753715 [0,0,1,0,0,0|3,0,0]=4 18 B18R2.2431 CSCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000212216 [0,0,1,0,0,0|3,0,0]=4 19 B18R2.2431 FCCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100011934791 [0,0,1,0,0,0|3,0,0]=4 20 B18R2.2431 FCCCNC(c1ccccc1)C2CCCC2 269862a_100015189416_100000753715 [0,0,1,0,0,0|3,0,0]=4 21 B18R2.2431 FCCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100011934791 [0,0,1,0,0,0|3,0,0]=4 22 B18R2.2431 OCCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000230001 [0,0,1,0,0,0|3,0,0]=4 23 B18R2.2431 OCCCNC(c1ccccc1)C2CCCC2 269862a_100000182051_100000753715 [0,0,1,0,0,0|3,0,0]=4 24 B18R2.2431 OCCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000230001 [0,0,1,0,0,0|3,0,0]=4 25 B18R2.82394 CCCC(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_100000210303 [0,0,1,0,0,0|2,0,0]=3 26 B18R2.82394 CCCC(=O)C1(CCOCC1)c2ccccc2 1458a_100000739152_100000210303 [0,0,1,0,0,0|3,0,0]=4 27 B18R2.82394 CCNC(=O)C1(CCCCC1)c2ccccc2 11a_100015525214_100011217237 [0,0,1,0,0,0|3,0,0]=4 28 B18R2.82394 CCNC(=O)C1(CCCCC1)c2ccccc2 240690a_100015525214_100011217237 [0,0,1,0,0,0|3,0,0]=4 29 B18R2.82394 O=C(CCF)C1(CCCCC1)c2ccccc2 1458a_100011217237_100011217306 [0,0,1,0,0,0|3,0,0]=4 30 B18R2.82394 O=C(CCO)C1(CCCCC1)c2ccccc2 1458a_100011217237_100000211926 [0,0,1,0,0,0|3,0,0]=4 31 B18R2.122518 C#CCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000688953 [0,0,1,0,0,0|1,0,2]=4 32 B18R2.122518 C#CCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000688953 [0,0,1,0,0,0|1,0,2]=4 33 B18R2.122518 C#CCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000688953 [0,0,1,0,0,0|1,0,2]=4 34 B18R2.122518 C#CCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000688953 [0,0,1,0,0,0|1,0,2]=4 35 B18R2.122518 C/C=C/CNC1(CCOCC1)c2ccccc2 34a_100000754981_100102629194 [0,0,1,0,0,0|1,0,2]=4 36 B18R2.122518 C/C=C/COC1(CCCCC1)c2ccccc2 34a_100011219906_100102629194 [0,0,1,0,0,0|1,0,2]=4 37 B18R2.122518 C/C=C/COC1(CCCCC1)c2ccccc2 7a_100011219906_100102629194 [0,0,1,0,0,0|1,0,2]=4 38 B18R2.122518 C=CCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000754431 [0,0,1,0,0,0|1,0,2]=4 39 B18R2.122518 C=CCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000754431 [0,0,1,0,0,0|1,0,2]=4 40 B18R2.122518 C=CCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000754431 [0,0,1,0,0,0|1,0,2]=4 41 B18R2.122518 C=CCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000754431 [0,0,1,0,0,0|1,0,2]=4 42 B18R2.122518 CC#CCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000748600 [0,0,1,0,0,0|1,0,2]=4 43 B18R2.122518 CC#CCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000748600 [0,0,1,0,0,0|1,0,2]=4 44 B18R2.122518 CC#CCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000748600 [0,0,1,0,0,0|1,0,2]=4 45 B18R2.122518 CC#CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000748600 [0,0,1,0,0,0|1,0,2]=4 46 B18R2.122518 CC=CCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000070051 [0,0,1,0,0,0|1,0,2]=4 47 B18R2.122518 CC=CCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000070051 [0,0,1,0,0,0|1,0,2]=4 48 B18R2.122518 CC=CCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000070051 [0,0,1,0,0,0|1,0,2]=4 49 B18R2.122518 CC=CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000070051 [0,0,1,0,0,0|1,0,2]=4 50 B18R2.122518 CCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000210211 [0,0,1,0,0,0|1,0,0]=2 51 B18R2.122518 CCCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000210210 [0,0,1,0,0,0|1,0,0]=2 52 B18R2.122518 CCCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000210210 [0,0,1,0,0,0|1,0,0]=2 53 B18R2.122518 CCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000210211 [0,0,1,0,0,0|1,0,0]=2 54 B18R2.122518 CCCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000210210 [0,0,1,0,0,0|2,0,0]=3 55 B18R2.122518 CCCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000210211 [0,0,1,0,0,0|2,0,0]=3 56 B18R2.122518 CCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000210303 [0,0,1,0,0,0|2,0,0]=3 57 B18R2.122518 CCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000210303 [0,0,1,0,0,0|2,0,0]=3 58 B18R2.122518 CCCNCC1(CCOCC1)c2ccccc2 2230a_100000739137_100000210303 [0,0,1,0,0,0|3,0,0]=4 59 B18R2.122518 CCCNCC1(CCOCC1)c2ccccc2 34a_100000739137_100000210303 [0,0,1,0,0,0|3,0,0]=4 60 B18R2.122518 COCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100011201679 [0,0,1,0,0,0|2,0,0]=3 61 B18R2.122518 COCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100011201679 [0,0,1,0,0,0|2,0,0]=3 62 B18R2.122518 COCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100011201679 [0,0,1,0,0,0|2,0,0]=3 63 B18R2.122518 COCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000233755 [0,0,1,0,0,0|2,0,0]=3 64 B18R2.122518 COCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100011201679 [0,0,1,0,0,0|3,0,0]=4 65 B18R2.122518 COCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000233755 [0,0,1,0,0,0|3,0,0]=4 66 B18R2.122518 COCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000766300 [0,0,1,0,0,0|3,0,0]=4 67 B18R2.122518 CSCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000751147 [0,0,1,0,0,0|2,0,0]=3 68 B18R2.122518 CSCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000212216 [0,0,1,0,0,0|2,0,0]=3 69 B18R2.122518 CSCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000212216 [0,0,1,0,0,0|2,0,0]=3 70 B18R2.122518 CSCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000212216 [0,0,1,0,0,0|2,0,0]=3 71 B18R2.122518 CSCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000212216 [0,0,1,0,0,0|3,0,0]=4 72 B18R2.122518 CSCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000212216 [0,0,1,0,0,0|3,0,0]=4 73 B18R2.122518 CSCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100011218213 [0,0,1,0,0,0|3,0,0]=4 74 B18R2.122518 CSCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100011218213 [0,0,1,0,0,0|3,0,0]=4 75 B18R2.122518 FCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100011934791 [0,0,1,0,0,0|2,0,0]=3 76 B18R2.122518 FCCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100011934791 [0,0,1,0,0,0|2,0,0]=3 77 B18R2.122518 FCCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100011934791 [0,0,1,0,0,0|2,0,0]=3 78 B18R2.122518 FCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100011934791 [0,0,1,0,0,0|2,0,0]=3 79 B18R2.122518 FCCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100011934791 [0,0,1,0,0,0|3,0,0]=4 80 B18R2.122518 FCCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100011934791 [0,0,1,0,0,0|3,0,0]=4 81 B18R2.122518 FCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100011217306 [0,0,1,0,0,0|3,0,0]=4 82 B18R2.122518 FCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100011217306 [0,0,1,0,0,0|3,0,0]=4 83 B18R2.122518 N#CCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100011215226 [0,0,1,0,0,0|2,0,1]=4 84 B18R2.122518 N#CCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000184422 [0,0,1,0,0,0|2,0,1]=4 85 B18R2.122518 OCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000230001 [0,0,1,0,0,0|2,0,0]=3 86 B18R2.122518 OCCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000230001 [0,0,1,0,0,0|2,0,0]=3 87 B18R2.122518 OCCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000230001 [0,0,1,0,0,0|2,0,0]=3 88 B18R2.122518 OCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100011215043 [0,0,1,0,0,0|2,0,0]=3 89 B18R2.122518 OCCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000230001 [0,0,1,0,0,0|3,0,0]=4 90 B18R2.122518 OCCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100011215043 [0,0,1,0,0,0|3,0,0]=4 91 B18R2.122518 OCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000211926 [0,0,1,0,0,0|3,0,0]=4 92 B18R2.122518 OCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000211926 [0,0,1,0,0,0|3,0,0]=4 93 B18R2.124003 C/C=C/CC(=O)C1(CCCCC1)N2CCCC2 1458a_100015186961_100102629194 [0,0,1,0,0,0|1,0,2]=4 94 B18R2.124003 C=CCCC(=O)C1(CCCCC1)N2CCCC2 1458a_100015186961_100000754431 [0,0,1,0,0,0|1,0,2]=4 95 B18R2.124003 C=CCNC(=O)C1(CCCCC1)N2CCCC2 1626a_100020586998_100015186961 [0,0,1,0,0,0|2,0,1]=4 96 B18R2.124003 C=CCNC(=O)C1(CCCCC1)N2CCCC2 240690a_100020586998_100015186961 [0,0,1,0,0,0|2,0,1]=4 97 B18R2.124003 CC=CCC(=O)C1(CCCCC1)N2CCCC2 1458a_100015186961_100000070051 [0,0,1,0,0,0|1,0,2]=4 98 B20R3.8119975 c1ccc(cc1)C2(CCCCC2)OC3CCCC3 34a_100011219906_100000179811 [0,0,0,0,0,1|1,0,0]=2 99 B20R3.8119975 c1ccc(cc1)C2(CCCCC2)OC3CCCC3 7a_100011219906_100000179811 [0,0,0,0,0,1|1,0,0]=2 100 B20R3.8119975 c1ccc(cc1)C2(CCCCC2)OC3CCOC3 34a_100011219906_100000690089 [0,0,0,0,0,1|2,0,0]=3 101 B20R3.8119975 c1ccc(cc1)C2(CCCCC2)OC3CCOC3 7a_100011219906_100000731011 [0,0,0,0,0,1|2,0,0]=3 102 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)NC3CCCC3 2230a_100000754981_100000179811 [0,0,0,0,0,1|2,0,0]=3 103 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)NC3CCCC3 270004a_100000754981_100000210133 [0,0,0,0,0,1|2,0,0]=3 104 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)NC3CCCC3 34a_100000754981_100000179811 [0,0,0,0,0,1|2,0,0]=3 105 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)NC3CCOC3 2230a_100000754981_100000731011 [0,0,0,0,0,1|3,0,0]=4 106 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)NC3CCOC3 270004a_100000754981_100000752484 [0,0,0,0,0,1|3,0,0]=4 107 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)NC3CCOC3 34a_100000754981_100000690089 [0,0,0,0,0,1|3,0,0]=4 108 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)NC3CCSC3 270004a_100000754981_100000212027 [0,0,0,0,0,1|3,0,0]=4 109 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)OC3CCCC3 34a_100000754853_100000179811 [0,0,0,0,0,1|2,0,0]=3 110 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)OC3CCCC3 7a_100000754853_100000179811 [0,0,0,0,0,1|2,0,0]=3 111 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)OC3CCOC3 34a_100000754853_100000690089 [0,0,0,0,0,1|3,0,0]=4 112 B20R3.8119975 c1ccc(cc1)C2(CCOCC2)OC3CCOC3 7a_100000754853_100000731011 [0,0,0,0,0,1|3,0,0]=4 113 B17R2.42 CCCCN(c1ccccc1)C2CCCC2 2230a_100000211623_100000179811 [1,0,1,0,0,0|2,0,0]=4 114 B17R2.42 CCCCN(c1ccccc1)C2CCCC2 269982a_100000211623_100000179811 [1,0,1,0,0,0|2,0,0]=4 115 B17R2.42 CCCCN(c1ccccc1)C2CCCC2 34a_100000211623_100000179811 [1,0,1,0,0,0|2,0,0]=4 116 B17R2.42 CCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000210303 [1,0,1,0,0,0|2,0,0]=4 117 B17R2.42 CCCNC(c1ccccc1)C2CCCC2 269862a_100020643023_100000753715 [1,0,1,0,0,0|2,0,0]=4 118 B17R2.42 CCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000210303 [1,0,1,0,0,0|2,0,0]=4 119 B17R2.50217 C=CCC(=O)C1(CCCCC1)N2CCCC2 1458a_100015186961_100000210623 [1,0,1,0,0,0|1,0,1]=4 120 B17R2.58632 CCC(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_100000210202 [1,0,1,0,0,0|2,0,0]=4 121 B17R2.59819 CCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000210303 [1,0,1,0,0,0|1,0,0]=3 122 B17R2.59819 CCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000210303 [1,0,1,0,0,0|1,0,0]=3 123 B17R2.59819 CCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000210303 [1,0,1,0,0,0|1,0,0]=3 124 B17R2.59819 CCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000210303 [1,0,1,0,0,0|1,0,0]=3 125 B17R2.59819 CCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000210303 [1,0,1,0,0,0|2,0,0]=4 126 B17R2.59819 CCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000210303 [1,0,1,0,0,0|2,0,0]=4 127 B17R2.59819 CCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000210202 [1,0,1,0,0,0|1,0,0]=3 128 B17R2.59819 CCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000210202 [1,0,1,0,0,0|1,0,0]=3 129 B17R2.59819 CCNCC1(CCOCC1)c2ccccc2 2230a_100000739137_100000210202 [1,0,1,0,0,0|2,0,0]=4 130 B17R2.59819 CCNCC1(CCOCC1)c2ccccc2 34a_100000739137_100000210202 [1,0,1,0,0,0|2,0,0]=4 131 B17R2.59819 COCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000766300 [1,0,1,0,0,0|2,0,0]=4 132 B17R2.59819 CSCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100011218213 [1,0,1,0,0,0|2,0,0]=4 133 B17R2.59819 CSCNC1(CCOCC1)c2ccccc2 34a_100000754981_100011218213 [1,0,1,0,0,0|2,0,0]=4 134 B17R2.59819 CSCOC1(CCCCC1)c2ccccc2 34a_100011219906_100011218213 [1,0,1,0,0,0|2,0,0]=4 135 B17R2.59819 FCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100011217306 [1,0,1,0,0,0|2,0,0]=4 136 B17R2.59819 FCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100011217306 [1,0,1,0,0,0|2,0,0]=4 137 B17R2.59819 FCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100011217306 [1,0,1,0,0,0|2,0,0]=4 138 B17R2.59819 FCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100011217306 [1,0,1,0,0,0|2,0,0]=4 139 B17R2.59819 FCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100015361967 [1,0,1,0,0,0|2,0,0]=4 140 B17R2.59819 OCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000211926 [1,0,1,0,0,0|2,0,0]=4 141 B17R2.59819 OCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000211926 [1,0,1,0,0,0|2,0,0]=4 142 B17R2.59819 OCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000211926 [1,0,1,0,0,0|2,0,0]=4 143 B17R2.59819 OCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000211926 [1,0,1,0,0,0|2,0,0]=4 144 B19R2.2476 CCCCCN(c1ccc(cc1)Cl)C2CCCC2 2230a_100000713107_100000210326 [0,1,1,0,0,0|2,0,0]=4 145 B19R2.2476 CCCCCN(c1ccc(cc1)Cl)C2CCCC2 269982a_100000713107_100000210215 [0,1,1,0,0,0|2,0,0]=4 146 B19R2.2476 CCCCCN(c1ccc(cc1)Cl)C2CCCC2 34a_100000713107_100000718602 [0,1,1,0,0,0|2,0,0]=4 147 B19R2.2476 CCCCCN(c1ccc(cc1)Cl)C2CCCC2 7a_100000713107_100000210326 [0,1,1,0,0,0|2,0,0]=4 148 B19R2.2476 CCCCNC(c1ccc(cc1)F)C2CCCC2 2230a_200000740548_100000210211 [0,1,1,0,0,0|2,0,0]=4 149 B19R2.2476 CCCCNC(c1ccc(cc1)F)C2CCCC2 34a_200000740548_100000210210 [0,1,1,0,0,0|2,0,0]=4 150 B19R2.2476 CCCNCC(c1ccc(cc1)F)N2CCCC2 34a_100000245537_100000210303 [0,1,1,0,0,0|1,0,0]=3 151 B19R2.2476 CSCNCC(c1ccc(cc1)F)N2CCCC2 34a_100000245537_100011218213 [0,1,1,0,0,0|2,0,0]=4 152 B19R2.2476 FCCNCC(c1ccc(cc1)F)N2CCCC2 34a_100000245537_100011217306 [0,1,1,0,0,0|2,0,0]=4 153 B19R2.2476 OCCNCC(c1ccc(cc1)F)N2CCCC2 34a_100000245537_100000211926 [0,1,1,0,0,0|2,0,0]=4 154 B19R2.3972 CCCCCCN(c1ccccc1)C2CCCC2 2230a_200000219565_100000179811 [0,1,1,0,0,0|2,0,0]=4 155 B19R2.3972 CCCCCCN(c1ccccc1)C2CCCC2 269982a_200000219565_100000179811 [0,1,1,0,0,0|2,0,0]=4 156 B19R2.3972 CCCCCCN(c1ccccc1)C2CCCC2 34a_200000219565_100000179811 [0,1,1,0,0,0|2,0,0]=4 157 B19R2.3972 CCCCCCN(c1ccccc1)C2CCCC2 7a_200000219565_100000179811 [0,1,1,0,0,0|2,0,0]=4 158 B19R2.3972 CCCCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000210326 [0,1,1,0,0,0|1,0,0]=3 159 B19R2.3972 CCCCCNC(c1ccccc1)C2CCCC2 269862a_100000209983_100000753715 [0,1,1,0,0,0|1,0,0]=3 160 B19R2.3972 CCCCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000718602 [0,1,1,0,0,0|1,0,0]=3 161 B19R2.3972 CCCCCNC(c1ccccc1)C2CCNC2 269862a_100000209983_100015189469 [0,1,1,0,0,0|2,0,0]=4 162 B19R2.3972 CCCCCNC(c1ccccn1)C2CCCC2 269862a_100000209983_100000764701 [0,1,1,0,0,0|2,0,0]=4 163 B19R2.3972 CCOCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100011215890 [0,1,1,0,0,0|2,0,0]=4 164 B19R2.3972 CCOCCNC(c1ccccc1)C2CCCC2 269862a_100011200944_100000753715 [0,1,1,0,0,0|2,0,0]=4 165 B19R2.3972 CCOCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000210147 [0,1,1,0,0,0|2,0,0]=4 166 B19R2.3972 CCSCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000757381 [0,1,1,0,0,0|2,0,0]=4 167 B19R2.3972 CCSCCNC(c1ccccc1)C2CCCC2 269862a_100000106463_100000753715 [0,1,1,0,0,0|2,0,0]=4 168 B19R2.3972 CCSCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000757381 [0,1,1,0,0,0|2,0,0]=4 169 B19R2.3972 COCCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000740836 [0,1,1,0,0,0|2,0,0]=4 170 B19R2.3972 COCCCNC(c1ccccc1)C2CCCC2 269862a_100150723488_100000753715 [0,1,1,0,0,0|2,0,0]=4 171 B19R2.3972 COCCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000740836 [0,1,1,0,0,0|2,0,0]=4 172 B19R2.3972 CSCCCNC(c1ccccc1)C2CCCC2 269862a_100000749238_100000753715 [0,1,1,0,0,0|2,0,0]=4 173 B19R2.3972 FCCCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000729493 [0,1,1,0,0,0|2,0,0]=4 174 B19R2.3972 FCCCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000729493 [0,1,1,0,0,0|2,0,0]=4 175 B19R2.3972 OCCCCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000210776 [0,1,1,0,0,0|2,0,0]=4 176 B19R2.3972 OCCCCNC(c1ccccc1)C2CCCC2 269862a_100000750430_100000753715 [0,1,1,0,0,0|2,0,0]=4 177 B19R2.3972 OCCCCNC(c1ccccc1)C2CCCC2 34a_100000746738_100011216708 [0,1,1,0,0,0|2,0,0]=4 178 B19R2.4649 CCCCC(=O)C(c1ccccc1)C2CCCC2 1458a_100011218497_100000210211 [0,1,1,0,0,0|1,0,1]=4 179 B19R2.4649 CCCCC(=O)C(c1ccccc1)N2CCCC2 1458a_200000750831_100000210211 [0,1,1,0,0,0|0,0,1]=3 180 B19R2.4649 CCCCC(=O)C(c1cccnc1)N2CCCC2 1458a_100015186889_100000210211 [0,1,1,0,0,0|1,0,1]=4 181 B19R2.4649 CCCNC(=O)C(c1ccccc1)N2CCCC2 11a_100020643023_200000750831 [0,1,1,0,0,0|1,0,1]=4 182 B19R2.4649 CCCNC(=O)C(c1ccccc1)N2CCCC2 1626a_100020643023_200000750831 [0,1,1,0,0,0|1,0,1]=4 183 B19R2.4649 CCCNC(=O)C(c1ccccc1)N2CCCC2 240690a_100020643023_200000750831 [0,1,1,0,0,0|1,0,1]=4 184 B19R2.4649 CCCNC(=O)C(c1ccccc1)N2CCCC2 527a_100020643023_200000750831 [0,1,1,0,0,0|1,0,1]=4 185 B19R2.4649 COCCC(=O)C(c1ccccc1)N2CCCC2 1458a_200000750831_100000233755 [0,1,1,0,0,0|1,0,1]=4 186 B19R2.4649 CSCCC(=O)C(c1ccccc1)N2CCCC2 1458a_200000750831_100000751147 [0,1,1,0,0,0|1,0,1]=4 187 B19R2.4649 O=C(CCCF)C(c1ccccc1)N2CCCC2 1458a_200000750831_100011934791 [0,1,1,0,0,0|1,0,1]=4 188 B19R2.4649 O=C(CCCO)C(c1ccccc1)N2CCCC2 1458a_200000750831_100011215043 [0,1,1,0,0,0|1,0,1]=4 189 B19R2.8889 CC(C)CCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000210312 [0,1,1,0,0,0|2,0,0]=4 190 B19R2.8889 CC(C)CCNC(c1ccccc1)C2CCCC2 269862a_100000210545_100000753715 [0,1,1,0,0,0|2,0,0]=4 191 B19R2.8889 CC(C)CCNC(c1ccccc1)C2CCCC2 269862a_100000746738_100000185833 [0,1,1,0,0,0|2,0,0]=4 192 B19R2.8889 CC(C)CCNC(c1ccccc1)C2CCCC2 34a_100000746738_100000210312 [0,1,1,0,0,0|2,0,0]=4 193 B19R2.8889 CC(O)CCNC(c1ccccc1)C2CCCC2 2230a_100000746738_100012276601 [0,1,1,0,0,0|2,0,0]=4 194 B19R2.8889 CC(O)CCNC(c1ccccc1)C2CCCC2 269862a_200000755665_100000753715 [0,1,1,0,0,0|2,0,0]=4 195 B19R2.8889 CC(O)CCNC(c1ccccc1)C2CCCC2 34a_100000746738_100012276601 [0,1,1,0,0,0|2,0,0]=4 196 B19R2.10860 CCCC(C)NC(c1ccccc1)C2CCCC2 2230a_100000746738_100000766640 [0,1,1,0,0,0|2,0,0]=4 197 B19R2.10860 CCCC(C)NC(c1ccccc1)C2CCCC2 269862a_100000741246_100000753715 [0,1,1,0,0,0|2,0,0]=4 198 B19R2.10860 CCCC(C)NC(c1ccccc1)C2CCCC2 270004a_100000746738_100000211909 [0,1,1,0,0,0|2,0,0]=4 199 B19R2.10860 CCCC(C)NC(c1ccccc1)C2CCCC2 34a_100000746738_100000766640 [0,1,1,0,0,0|2,0,0]=4 200 B19R2.13730 CCC(C)CNC(c1ccccc1)C2CCCC2 2230a_100000746738_100000748023 [0,1,1,0,0,0|2,0,0]=4 201 B19R2.13730 CCC(C)CNC(c1ccccc1)C2CCCC2 269862a_100020588543_100000753715 [0,1,1,0,0,0|2,0,0]=4 202 B19R2.13730 CCC(C)CNC(c1ccccc1)C2CCCC2 270004a_100000746738_100000243153 [0,1,1,0,0,0|2,0,0]=4 203 B19R2.13730 CCC(C)CNC(c1ccccc1)C2CCCC2 34a_100000746738_100000748023 [0,1,1,0,0,0|2,0,0]=4 204 B19R2.13730 CCC(O)CNC(c1ccccc1)C2CCCC2 2230a_100000746738_100011218378 [0,1,1,0,0,0|2,0,0]=4 205 B19R2.13730 CCC(O)CNC(c1ccccc1)C2CCCC2 269862a_100011218483_100000753715 [0,1,1,0,0,0|2,0,0]=4 206 B19R2.13730 CCC(O)CNC(c1ccccc1)C2CCCC2 34a_100000746738_100011218378 [0,1,1,0,0,0|2,0,0]=4 207 B19R2.13730 CC[C@H](C)CNC(c1ccccc1)C2CCCC2 2230a_100000746738_100009816398 [0,1,1,0,0,0|2,0,0]=4 208 B19R2.13730 CC[C@H](C)CNC(c1ccccc1)C2CCCC2 34a_100000746738_100009816398 [0,1,1,0,0,0|2,0,0]=4 209 B19R2.16439 CCCCCN(c1ccccc1)[C@@H]2CCC[C@H]2O 269982a_200000219563_200016002552 [0,1,1,0,0,0|2,0,0]=4 210 B19R2.215401 CCCCNC(c1ccccc1Cl)C2CCCC2 269862a_100000102301_200011219683 [0,1,1,0,0,0|2,0,0]=4 211 B19R2.215401 CCCCNC(c1ccccc1F)C2CCCC2 269862a_100000102301_100000688463 [0,1,1,0,0,0|2,0,0]=4 212 B19R2.129600 CCCC(=O)C1(CCCCC1)c2ccc(cc2)C 1458a_100011215990_100000210303 [0,1,1,0,0,0|2,0,0]=4 213 B19R2.129600 CCCC(=O)C1(CCCCC1)c2ccc(cc2)Cl 1458a_100000748793_100000210303 [0,1,1,0,0,0|2,0,0]=4 214 B19R2.129600 CCCC(=O)C1(CCCCC1)c2ccc(cc2)F 1458a_100000745168_100000210303 [0,1,1,0,0,0|2,0,0]=4 215 B19R2.132940 CCCC(=O)C1(CCCCC1)c2cccc(c2)Br 1458a_100000246802_100000210303 [0,1,1,0,0,0|2,0,0]=4 216 B19R2.132940 CCCC(=O)C1(CCCCC1)c2cccc(c2)F 1458a_100000246812_100000210303 [0,1,1,0,0,0|2,0,0]=4 217 B19R2.201174 CCCCC(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_100000210211 [0,1,1,0,0,0|2,0,0]=4 218 B19R2.201174 CCCNC(=O)C1(CCCCC1)c2ccccc2 11a_100020643023_100011217237 [0,1,1,0,0,0|2,0,0]=4 219 B19R2.201174 CCCNC(=O)C1(CCCCC1)c2ccccc2 1626a_100020643023_100011217237 [0,1,1,0,0,0|2,0,0]=4 220 B19R2.201174 CCCNC(=O)C1(CCCCC1)c2ccccc2 240690a_100020643023_100011217237 [0,1,1,0,0,0|2,0,0]=4 221 B19R2.201174 COCCC(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_100000233755 [0,1,1,0,0,0|2,0,0]=4 222 B19R2.201174 CSCCC(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_100000751147 [0,1,1,0,0,0|2,0,0]=4 223 B19R2.201174 O=C(CCCF)C1(CCCCC1)c2ccccc2 1458a_100011217237_100011934791 [0,1,1,0,0,0|2,0,0]=4 224 B19R2.201174 O=C(CCCO)C1(CCCCC1)c2ccccc2 1458a_100011217237_100011215043 [0,1,1,0,0,0|2,0,0]=4 225 B19R2.206417 CCC(C)C(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_100000758301 [0,1,1,0,0,0|2,0,0]=4 226 B19R2.470021 CC(C)CC(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_100000210624 [0,1,1,0,0,0|2,0,0]=4 227 B19R2.470021 CC(O)CC(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_100011218427 [0,1,1,0,0,0|2,0,0]=4 228 B19R2.1173446 CCCC(=O)C1(CCCCC1)c2ccccc2F 1458a_100011497510_100000210303 [0,1,1,0,0,0|2,0,0]=4 229 B19R2.57793 C#CCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000731252 [0,1,1,0,0,0|1,0,1]=4 230 B19R2.57793 C#CCCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000695029 [0,1,1,0,0,0|1,0,1]=4 231 B19R2.57793 C#CCCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000695029 [0,1,1,0,0,0|1,0,1]=4 232 B19R2.57793 C#CCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100011215417 [0,1,1,0,0,0|1,0,1]=4 233 B19R2.57793 C#CCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000688953 [0,1,1,0,0,0|0,0,2]=4 234 B19R2.57793 C#CCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000688953 [0,1,1,0,0,0|0,0,2]=4 235 B19R2.57793 C/C=C/CNCC1(CCCCC1)c2ccccc2 34a_100011230113_100102629194 [0,1,1,0,0,0|0,0,2]=4 236 B19R2.57793 C=CCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100011713584 [0,1,1,0,0,0|1,0,1]=4 237 B19R2.57793 C=CCCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000757094 [0,1,1,0,0,0|1,0,1]=4 238 B19R2.57793 C=CCCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000757094 [0,1,1,0,0,0|1,0,1]=4 239 B19R2.57793 C=CCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000757094 [0,1,1,0,0,0|1,0,1]=4 240 B19R2.57793 C=CCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000754431 [0,1,1,0,0,0|0,0,2]=4 241 B19R2.57793 C=CCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000754431 [0,1,1,0,0,0|0,0,2]=4 242 B19R2.57793 CC#CCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000748600 [0,1,1,0,0,0|0,0,2]=4 243 B19R2.57793 CC#CCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000748600 [0,1,1,0,0,0|0,0,2]=4 244 B19R2.57793 CC/C=C\CNC1(CCOCC1)c2ccccc2 2230a_100000754981_100103147603 [0,1,1,0,0,0|1,0,1]=4 245 B19R2.57793 CC/C=C\CNC1(CCOCC1)c2ccccc2 34a_100000754981_100103147603 [0,1,1,0,0,0|1,0,1]=4 246 B19R2.57793 CC/C=C\COC1(CCCCC1)c2ccccc2 34a_100011219906_100103147603 [0,1,1,0,0,0|1,0,1]=4 247 B19R2.57793 CC/C=C\COC1(CCCCC1)c2ccccc2 7a_100011219906_100103147603 [0,1,1,0,0,0|1,0,1]=4 248 B19R2.57793 CC=CCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000070051 [0,1,1,0,0,0|0,0,2]=4 249 B19R2.57793 CC=CCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000070051 [0,1,1,0,0,0|0,0,2]=4 250 B19R2.57793 CCC#CCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100009813939 [0,1,1,0,0,0|1,0,1]=4 251 B19R2.57793 CCC#CCNC1(CCOCC1)c2ccccc2 34a_100000754981_100009813939 [0,1,1,0,0,0|1,0,1]=4 252 B19R2.57793 CCC#CCOC1(CCCCC1)c2ccccc2 34a_100011219906_100009813939 [0,1,1,0,0,0|1,0,1]=4 253 B19R2.57793 CCC#CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100009813939 [0,1,1,0,0,0|1,0,1]=4 254 B19R2.57793 CCCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000210326 [0,1,1,0,0,0|1,0,0]=3 255 B19R2.57793 CCCCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000718602 [0,1,1,0,0,0|1,0,0]=3 256 B19R2.57793 CCCCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000718602 [0,1,1,0,0,0|1,0,0]=3 257 B19R2.57793 CCCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000210326 [0,1,1,0,0,0|1,0,0]=3 258 B19R2.57793 CCCCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000718602 [0,1,1,0,0,0|2,0,0]=4 259 B19R2.57793 CCCCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000210326 [0,1,1,0,0,0|2,0,0]=4 260 B19R2.57793 CCCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000210211 [0,1,1,0,0,0|0,0,0]=2 261 B19R2.57793 CCCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000210210 [0,1,1,0,0,0|0,0,0]=2 262 B19R2.57793 CCCCNCC1(CCOCC1)c2ccccc2 2230a_100000739137_100000210211 [0,1,1,0,0,0|1,0,0]=3 263 B19R2.57793 CCCCNCC1(CCOCC1)c2ccccc2 34a_100000739137_100000210210 [0,1,1,0,0,0|1,0,0]=3 264 B19R2.57793 CCOCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100011215890 [0,1,1,0,0,0|1,0,0]=3 265 B19R2.57793 CCOCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000210147 [0,1,1,0,0,0|1,0,0]=3 266 B19R2.57793 CCOCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000210147 [0,1,1,0,0,0|1,0,0]=3 267 B19R2.57793 CCOCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100011215890 [0,1,1,0,0,0|1,0,0]=3 268 B19R2.57793 CCOCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000210147 [0,1,1,0,0,0|2,0,0]=4 269 B19R2.57793 CCOCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100011215890 [0,1,1,0,0,0|2,0,0]=4 270 B19R2.57793 CCSCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000757381 [0,1,1,0,0,0|1,0,0]=3 271 B19R2.57793 CCSCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000757381 [0,1,1,0,0,0|1,0,0]=3 272 B19R2.57793 CCSCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000757381 [0,1,1,0,0,0|1,0,0]=3 273 B19R2.57793 CCSCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000757381 [0,1,1,0,0,0|1,0,0]=3 274 B19R2.57793 CCSCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000757381 [0,1,1,0,0,0|2,0,0]=4 275 B19R2.57793 CCSCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000757381 [0,1,1,0,0,0|2,0,0]=4 276 B19R2.57793 COCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000740836 [0,1,1,0,0,0|1,0,0]=3 277 B19R2.57793 COCCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000740836 [0,1,1,0,0,0|1,0,0]=3 278 B19R2.57793 COCCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000740836 [0,1,1,0,0,0|1,0,0]=3 279 B19R2.57793 COCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000740836 [0,1,1,0,0,0|1,0,0]=3 280 B19R2.57793 COCCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000740836 [0,1,1,0,0,0|2,0,0]=4 281 B19R2.57793 COCCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000740836 [0,1,1,0,0,0|2,0,0]=4 282 B19R2.57793 COCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100011201679 [0,1,1,0,0,0|1,0,0]=3 283 B19R2.57793 COCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100011201679 [0,1,1,0,0,0|1,0,0]=3 284 B19R2.57793 COCCNCC1(CCOCC1)c2ccccc2 2230a_100000739137_100011201679 [0,1,1,0,0,0|2,0,0]=4 285 B19R2.57793 COCCNCC1(CCOCC1)c2ccccc2 34a_100000739137_100011201679 [0,1,1,0,0,0|2,0,0]=4 286 B19R2.57793 CSCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000751147 [0,1,1,0,0,0|1,0,0]=3 287 B19R2.57793 CSCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000212216 [0,1,1,0,0,0|1,0,0]=3 288 B19R2.57793 CSCCNCC1(CCOCC1)c2ccccc2 2230a_100000739137_100000751147 [0,1,1,0,0,0|2,0,0]=4 289 B19R2.57793 CSCCNCC1(CCOCC1)c2ccccc2 34a_100000739137_100000212216 [0,1,1,0,0,0|2,0,0]=4 290 B19R2.57793 FCCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000729493 [0,1,1,0,0,0|1,0,0]=3 291 B19R2.57793 FCCCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000729493 [0,1,1,0,0,0|1,0,0]=3 292 B19R2.57793 FCCCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000729493 [0,1,1,0,0,0|1,0,0]=3 293 B19R2.57793 FCCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000729493 [0,1,1,0,0,0|1,0,0]=3 294 B19R2.57793 FCCCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000729493 [0,1,1,0,0,0|2,0,0]=4 295 B19R2.57793 FCCCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000729493 [0,1,1,0,0,0|2,0,0]=4 296 B19R2.57793 FCCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100011934791 [0,1,1,0,0,0|1,0,0]=3 297 B19R2.57793 FCCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100011934791 [0,1,1,0,0,0|1,0,0]=3 298 B19R2.57793 FCCCNCC1(CCOCC1)c2ccccc2 2230a_100000739137_100011934791 [0,1,1,0,0,0|2,0,0]=4 299 B19R2.57793 FCCCNCC1(CCOCC1)c2ccccc2 34a_100000739137_100011934791 [0,1,1,0,0,0|2,0,0]=4 300 B19R2.57793 N#CCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000687738 [0,1,1,0,0,0|1,0,1]=4 301 B19R2.57793 N#CCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000687738 [0,1,1,0,0,0|1,0,1]=4 302 B19R2.57793 N#CCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100011215226 [0,1,1,0,0,0|1,0,1]=4 303 B19R2.57793 O=CCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_200011292268 [0,1,1,0,0,0|1,0,1]=4 304 B19R2.57793 O=CCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_200011292268 [0,1,1,0,0,0|1,0,1]=4 305 B19R2.57793 OCCCCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000210776 [0,1,1,0,0,0|1,0,0]=3 306 B19R2.57793 OCCCCNC1(CCOCC1)c2ccccc2 34a_100000754981_100011216708 [0,1,1,0,0,0|1,0,0]=3 307 B19R2.57793 OCCCCOC1(CCCCC1)c2ccccc2 34a_100011219906_100011216708 [0,1,1,0,0,0|1,0,0]=3 308 B19R2.57793 OCCCCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000210776 [0,1,1,0,0,0|1,0,0]=3 309 B19R2.57793 OCCCCOC1(CCOCC1)c2ccccc2 34a_100000754853_100011216708 [0,1,1,0,0,0|2,0,0]=4 310 B19R2.57793 OCCCCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000210776 [0,1,1,0,0,0|2,0,0]=4 311 B19R2.57793 OCCCNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000230001 [0,1,1,0,0,0|1,0,0]=3 312 B19R2.57793 OCCCNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000230001 [0,1,1,0,0,0|1,0,0]=3 313 B19R2.57793 OCCCNCC1(CCOCC1)c2ccccc2 2230a_100000739137_100000230001 [0,1,1,0,0,0|2,0,0]=4 314 B19R2.57793 OCCCNCC1(CCOCC1)c2ccccc2 34a_100000739137_100000230001 [0,1,1,0,0,0|2,0,0]=4 315 B19R2.114969 CCCCOC1(CCCCC1)c2ccc(cc2)Br 34a_200010132841_100000210210 [0,1,1,0,0,0|1,0,0]=3 316 B19R2.114969 CCCCOC1(CCCCC1)c2ccc(cc2)Br 7a_200010132841_100000210211 [0,1,1,0,0,0|1,0,0]=3 317 B19R2.114969 CCCCOC1(CCCCC1)c2ccc(cc2)Cl 34a_100011362123_100000210210 [0,1,1,0,0,0|1,0,0]=3 318 B19R2.114969 CCCCOC1(CCCCC1)c2ccc(cc2)Cl 7a_100011362123_100000210211 [0,1,1,0,0,0|1,0,0]=3 319 B19R2.114969 CCCCOC1(CCNCC1)c2ccc(cc2)Br 34a_100121572065_100000210210 [0,1,1,0,0,0|2,0,0]=4 320 B19R2.114969 CCCCOC1(CCNCC1)c2ccc(cc2)C 34a_100011236475_100000210210 [0,1,1,0,0,0|2,0,0]=4 321 B19R2.114969 CCCCOC1(CCNCC1)c2ccc(cc2)Cl 34a_100011218428_100000210210 [0,1,1,0,0,0|2,0,0]=4 322 B19R2.114969 CCCCOC1(CCNCC1)c2ccc(cc2)F 34a_100016991077_100000210210 [0,1,1,0,0,0|2,0,0]=4 323 B19R2.114969 CCCCOC1(CCOCC1)c2ccc(cc2)Br 34a_100010245627_100000210210 [0,1,1,0,0,0|2,0,0]=4 324 B19R2.114969 CCCCOC1(CCOCC1)c2ccc(cc2)Br 7a_100010245627_100000210211 [0,1,1,0,0,0|2,0,0]=4 325 B19R2.114969 COCCOC1(CCCCC1)c2ccc(cc2)Br 34a_200010132841_100011201679 [0,1,1,0,0,0|2,0,0]=4 326 B19R2.114969 COCCOC1(CCCCC1)c2ccc(cc2)Br 7a_200010132841_100000233755 [0,1,1,0,0,0|2,0,0]=4 327 B19R2.114969 COCCOC1(CCCCC1)c2ccc(cc2)Cl 34a_100011362123_100011201679 [0,1,1,0,0,0|2,0,0]=4 328 B19R2.114969 COCCOC1(CCCCC1)c2ccc(cc2)Cl 7a_100011362123_100000233755 [0,1,1,0,0,0|2,0,0]=4 329 B19R2.114969 CSCCOC1(CCCCC1)c2ccc(cc2)Br 34a_200010132841_100000212216 [0,1,1,0,0,0|2,0,0]=4 330 B19R2.114969 CSCCOC1(CCCCC1)c2ccc(cc2)Br 7a_200010132841_100000212216 [0,1,1,0,0,0|2,0,0]=4 331 B19R2.114969 CSCCOC1(CCCCC1)c2ccc(cc2)Cl 34a_100011362123_100000212216 [0,1,1,0,0,0|2,0,0]=4 332 B19R2.114969 CSCCOC1(CCCCC1)c2ccc(cc2)Cl 7a_100011362123_100000212216 [0,1,1,0,0,0|2,0,0]=4 333 B19R2.114969 FCCCOC1(CCCCC1)c2ccc(cc2)Br 34a_200010132841_100011934791 [0,1,1,0,0,0|2,0,0]=4 334 B19R2.114969 FCCCOC1(CCCCC1)c2ccc(cc2)Br 7a_200010132841_100011934791 [0,1,1,0,0,0|2,0,0]=4 335 B19R2.114969 FCCCOC1(CCCCC1)c2ccc(cc2)Cl 34a_100011362123_100011934791 [0,1,1,0,0,0|2,0,0]=4 336 B19R2.114969 FCCCOC1(CCCCC1)c2ccc(cc2)Cl 7a_100011362123_100011934791 [0,1,1,0,0,0|2,0,0]=4 337 B19R2.114969 OCCCOC1(CCCCC1)c2ccc(cc2)Br 34a_200010132841_100000230001 [0,1,1,0,0,0|2,0,0]=4 338 B19R2.114969 OCCCOC1(CCCCC1)c2ccc(cc2)Br 7a_200010132841_100011215043 [0,1,1,0,0,0|2,0,0]=4 339 B19R2.114969 OCCCOC1(CCCCC1)c2ccc(cc2)Cl 34a_100011362123_100000230001 [0,1,1,0,0,0|2,0,0]=4 340 B19R2.114969 OCCCOC1(CCCCC1)c2ccc(cc2)Cl 7a_100011362123_100011215043 [0,1,1,0,0,0|2,0,0]=4 341 B19R2.166038 CCC(=O)COC1(CCCCC1)c2ccccc2 7a_100011219906_100000747405 [0,1,1,0,0,0|1,0,1]=4 342 B19R2.166038 CCC(C)CNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000748023 [0,1,1,0,0,0|1,0,0]=3 343 B19R2.166038 CCC(C)CNC1(CCOCC1)c2ccccc2 270004a_100000754981_100000243153 [0,1,1,0,0,0|1,0,0]=3 344 B19R2.166038 CCC(C)CNC1(CCOCC1)c2ccccc2 34a_100000754981_100000748023 [0,1,1,0,0,0|1,0,0]=3 345 B19R2.166038 CCC(C)COC1(CCCCC1)c2ccccc2 34a_100011219906_100000748023 [0,1,1,0,0,0|1,0,0]=3 346 B19R2.166038 CCC(C)COC1(CCCCC1)c2ccccc2 7a_100011219906_100000748023 [0,1,1,0,0,0|1,0,0]=3 347 B19R2.166038 CCC(C)COC1(CCOCC1)c2ccccc2 34a_100000754853_100000748023 [0,1,1,0,0,0|2,0,0]=4 348 B19R2.166038 CCC(C)COC1(CCOCC1)c2ccccc2 7a_100000754853_100000748023 [0,1,1,0,0,0|2,0,0]=4 349 B19R2.166038 CCC(C)NCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000758301 [0,1,1,0,0,0|2,0,0]=4 350 B19R2.166038 CCC(C)NCC1(CCCCC1)c2ccccc2 34a_100011230113_100011215416 [0,1,1,0,0,0|2,0,0]=4 351 B19R2.166038 CCC(O)CNC1(CCOCC1)c2ccccc2 2230a_100000754981_100011218378 [0,1,1,0,0,0|1,0,0]=3 352 B19R2.166038 CCC(O)CNC1(CCOCC1)c2ccccc2 34a_100000754981_100011218378 [0,1,1,0,0,0|1,0,0]=3 353 B19R2.166038 CCC(O)COC1(CCCCC1)c2ccccc2 34a_100011219906_100011218378 [0,1,1,0,0,0|1,0,0]=3 354 B19R2.166038 CCC(O)COC1(CCCCC1)c2ccccc2 7a_100011219906_100011218378 [0,1,1,0,0,0|1,0,0]=3 355 B19R2.166038 CCC(O)COC1(CCOCC1)c2ccccc2 34a_100000754853_100011218378 [0,1,1,0,0,0|2,0,0]=4 356 B19R2.166038 CCC(O)COC1(CCOCC1)c2ccccc2 7a_100000754853_100011218378 [0,1,1,0,0,0|2,0,0]=4 357 B19R2.166038 CC[C@H](C)CNC1(CCOCC1)c2ccccc2 2230a_100000754981_100009816398 [0,1,1,0,0,0|1,0,0]=3 358 B19R2.166038 CC[C@H](C)CNC1(CCOCC1)c2ccccc2 34a_100000754981_100009816398 [0,1,1,0,0,0|1,0,0]=3 359 B19R2.166038 CC[C@H](C)COC1(CCCCC1)c2ccccc2 34a_100011219906_100009816398 [0,1,1,0,0,0|1,0,0]=3 360 B19R2.166038 CC[C@H](C)COC1(CCCCC1)c2ccccc2 7a_100011219906_100009816398 [0,1,1,0,0,0|1,0,0]=3 361 B19R2.166038 CC[C@H](C)COC1(CCOCC1)c2ccccc2 34a_100000754853_100009816398 [0,1,1,0,0,0|2,0,0]=4 362 B19R2.166038 CC[C@H](C)COC1(CCOCC1)c2ccccc2 7a_100000754853_100009816398 [0,1,1,0,0,0|2,0,0]=4 363 B19R2.166038 C[C@@H](CO)CNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000059175 [0,1,1,0,0,0|2,0,0]=4 364 B19R2.166038 C[C@@H](CO)CNC1(CCOCC1)c2ccccc2 34a_100000754981_100000059175 [0,1,1,0,0,0|2,0,0]=4 365 B19R2.166038 C[C@@H](CO)COC1(CCCCC1)c2ccccc2 34a_100011219906_100000059175 [0,1,1,0,0,0|2,0,0]=4 366 B19R2.166038 C[C@@H](CO)COC1(CCCCC1)c2ccccc2 7a_100011219906_100000059175 [0,1,1,0,0,0|2,0,0]=4 367 B19R2.166038 OCC(O)CNC1(CCOCC1)c2ccccc2 2230a_100000754981_100011219619 [0,1,1,0,0,0|2,0,0]=4 368 B19R2.166038 OCC(O)CNC1(CCOCC1)c2ccccc2 34a_100000754981_100011219619 [0,1,1,0,0,0|2,0,0]=4 369 B19R2.166038 OCC(O)COC1(CCCCC1)c2ccccc2 34a_100011219906_100011219619 [0,1,1,0,0,0|2,0,0]=4 370 B19R2.166038 OCC(O)COC1(CCCCC1)c2ccccc2 7a_100011219906_100011219619 [0,1,1,0,0,0|2,0,0]=4 371 B19R2.166038 OC[C@H](O)CNC1(CCOCC1)c2ccccc2 2230a_100000754981_100009815848 [0,1,1,0,0,0|2,0,0]=4 372 B19R2.166038 OC[C@H](O)CNC1(CCOCC1)c2ccccc2 34a_100000754981_100009815848 [0,1,1,0,0,0|2,0,0]=4 373 B19R2.166038 OC[C@H](O)COC1(CCCCC1)c2ccccc2 34a_100011219906_100009815848 [0,1,1,0,0,0|2,0,0]=4 374 B19R2.166038 OC[C@H](O)COC1(CCCCC1)c2ccccc2 7a_100011219906_100009815848 [0,1,1,0,0,0|2,0,0]=4 375 B19R2.166038 O[C@@H](CF)CNC1(CCOCC1)c2ccccc2 2230a_100000754981_100015614560 [0,1,1,0,0,0|2,0,0]=4 376 B19R2.166038 O[C@@H](CF)CNC1(CCOCC1)c2ccccc2 34a_100000754981_100015614560 [0,1,1,0,0,0|2,0,0]=4 377 B19R2.166038 O[C@@H](CF)COC1(CCCCC1)c2ccccc2 34a_100011219906_100015614560 [0,1,1,0,0,0|2,0,0]=4 378 B19R2.166038 O[C@@H](CF)COC1(CCCCC1)c2ccccc2 7a_100011219906_100015614560 [0,1,1,0,0,0|2,0,0]=4 379 B19R2.198175 CCCCOC1(CCCCC1)c2cccc(c2)F 34a_100011350292_100000210210 [0,1,1,0,0,0|1,0,0]=3 380 B19R2.198175 CCCCOC1(CCCCC1)c2cccc(c2)F 7a_100011350292_100000210211 [0,1,1,0,0,0|1,0,0]=3 381 B19R2.198175 CCCCOC1(CCNCC1)c2cccc(c2)F 34a_100153394307_100000210210 [0,1,1,0,0,0|2,0,0]=4 382 B19R2.198175 COCCOC1(CCCCC1)c2cccc(c2)F 34a_100011350292_100011201679 [0,1,1,0,0,0|2,0,0]=4 383 B19R2.198175 COCCOC1(CCCCC1)c2cccc(c2)F 7a_100011350292_100000233755 [0,1,1,0,0,0|2,0,0]=4 384 B19R2.198175 CSCCOC1(CCCCC1)c2cccc(c2)F 34a_100011350292_100000212216 [0,1,1,0,0,0|2,0,0]=4 385 B19R2.198175 CSCCOC1(CCCCC1)c2cccc(c2)F 7a_100011350292_100000212216 [0,1,1,0,0,0|2,0,0]=4 386 B19R2.198175 FCCCOC1(CCCCC1)c2cccc(c2)F 34a_100011350292_100011934791 [0,1,1,0,0,0|2,0,0]=4 387 B19R2.198175 FCCCOC1(CCCCC1)c2cccc(c2)F 7a_100011350292_100011934791 [0,1,1,0,0,0|2,0,0]=4 388 B19R2.198175 OCCCOC1(CCCCC1)c2cccc(c2)F 34a_100011350292_100000230001 [0,1,1,0,0,0|2,0,0]=4 389 B19R2.198175 OCCCOC1(CCCCC1)c2cccc(c2)F 7a_100011350292_100011215043 [0,1,1,0,0,0|2,0,0]=4 390 B19R2.203231 CC(CCO)NC1(CCOCC1)c2ccccc2 2230a_100000754981_100009893172 [0,1,1,0,0,0|2,0,0]=4 391 B19R2.203231 CC(CCO)NC1(CCOCC1)c2ccccc2 34a_100000754981_100009893172 [0,1,1,0,0,0|2,0,0]=4 392 B19R2.203231 CC(CCO)OC1(CCCCC1)c2ccccc2 34a_100011219906_100009893172 [0,1,1,0,0,0|2,0,0]=4 393 B19R2.203231 CC(CCO)OC1(CCCCC1)c2ccccc2 7a_100011219906_100009893172 [0,1,1,0,0,0|2,0,0]=4 394 B19R2.203231 CCCC(=O)NC1(CCOCC1)c2ccccc2 11a_100000754981_100000211992 [0,1,1,0,0,0|1,0,1]=4 395 B19R2.203231 CCCC(=O)NC1(CCOCC1)c2ccccc2 1626a_100000754981_100000211992 [0,1,1,0,0,0|1,0,1]=4 396 B19R2.203231 CCCC(=O)NC1(CCOCC1)c2ccccc2 240690a_100000754981_100000211992 [0,1,1,0,0,0|1,0,1]=4 397 B19R2.203231 CCCC(=O)NC1(CCOCC1)c2ccccc2 527a_100000754981_100000211992 [0,1,1,0,0,0|1,0,1]=4 398 B19R2.203231 CCCC(C)NC1(CCOCC1)c2ccccc2 2230a_100000754981_100000766640 [0,1,1,0,0,0|1,0,0]=3 399 B19R2.203231 CCCC(C)NC1(CCOCC1)c2ccccc2 270004a_100000754981_100000211909 [0,1,1,0,0,0|1,0,0]=3 400 B19R2.203231 CCCC(C)NC1(CCOCC1)c2ccccc2 34a_100000754981_100000766640 [0,1,1,0,0,0|1,0,0]=3 401 B19R2.203231 CCCC(C)OC1(CCCCC1)c2ccccc2 34a_100011219906_100000766640 [0,1,1,0,0,0|1,0,0]=3 402 B19R2.203231 CCCC(C)OC1(CCCCC1)c2ccccc2 7a_100011219906_100000766640 [0,1,1,0,0,0|1,0,0]=3 403 B19R2.203231 CCCC(C)OC1(CCOCC1)c2ccccc2 34a_100000754853_100000766640 [0,1,1,0,0,0|2,0,0]=4 404 B19R2.203231 CCCC(C)OC1(CCOCC1)c2ccccc2 7a_100000754853_100000766640 [0,1,1,0,0,0|2,0,0]=4 405 B19R2.203231 COCC(C)NC1(CCOCC1)c2ccccc2 2230a_100000754981_100000765312 [0,1,1,0,0,0|2,0,0]=4 406 B19R2.203231 COCC(C)NC1(CCOCC1)c2ccccc2 270004a_100000754981_100000749346 [0,1,1,0,0,0|2,0,0]=4 407 B19R2.203231 COCC(C)NC1(CCOCC1)c2ccccc2 34a_100000754981_100000765312 [0,1,1,0,0,0|2,0,0]=4 408 B19R2.203231 COCC(C)OC1(CCCCC1)c2ccccc2 34a_100011219906_100000765312 [0,1,1,0,0,0|2,0,0]=4 409 B19R2.203231 COCC(C)OC1(CCCCC1)c2ccccc2 7a_100011219906_100000765312 [0,1,1,0,0,0|2,0,0]=4 410 B19R2.203231 CSCC(C)NC1(CCOCC1)c2ccccc2 270004a_100000754981_100011216314 [0,1,1,0,0,0|2,0,0]=4 411 B19R2.1041973 CCCCOC1(CCN(CC1)C)c2ccccc2 7a_100000755193_100000210211 [0,1,1,0,0,0|2,0,0]=4 412 B19R2.1388200 C=C(C)CCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000730704 [0,1,1,0,0,0|1,0,1]=4 413 B19R2.1388200 C=C(C)CCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000730704 [0,1,1,0,0,0|1,0,1]=4 414 B19R2.1388200 C=C(C)CCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000730704 [0,1,1,0,0,0|1,0,1]=4 415 B19R2.1388200 C=C(C)CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000730704 [0,1,1,0,0,0|1,0,1]=4 416 B19R2.1388200 CC(=O)CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000053229 [0,1,1,0,0,0|1,0,1]=4 417 B19R2.1388200 CC(C)CCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000210312 [0,1,1,0,0,0|1,0,0]=3 418 B19R2.1388200 CC(C)CCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000210312 [0,1,1,0,0,0|1,0,0]=3 419 B19R2.1388200 CC(C)CCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000210312 [0,1,1,0,0,0|1,0,0]=3 420 B19R2.1388200 CC(C)CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000210626 [0,1,1,0,0,0|1,0,0]=3 421 B19R2.1388200 CC(C)CCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000210312 [0,1,1,0,0,0|2,0,0]=4 422 B19R2.1388200 CC(C)CCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000210626 [0,1,1,0,0,0|2,0,0]=4 423 B19R2.1388200 CC(C)CNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100000210760 [0,1,1,0,0,0|2,0,0]=4 424 B19R2.1388200 CC(C)CNCC1(CCCCC1)c2ccccc2 270004a_100011230113_100000210432 [0,1,1,0,0,0|2,0,0]=4 425 B19R2.1388200 CC(C)CNCC1(CCCCC1)c2ccccc2 34a_100011230113_100000210624 [0,1,1,0,0,0|2,0,0]=4 426 B19R2.1388200 CC(C)OCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000709892 [0,1,1,0,0,0|2,0,0]=4 427 B19R2.1388200 CC(C)OCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000709892 [0,1,1,0,0,0|2,0,0]=4 428 B19R2.1388200 CC(C)OCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000709892 [0,1,1,0,0,0|2,0,0]=4 429 B19R2.1388200 CC(O)CCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100012276601 [0,1,1,0,0,0|1,0,0]=3 430 B19R2.1388200 CC(O)CCNC1(CCOCC1)c2ccccc2 34a_100000754981_100012276601 [0,1,1,0,0,0|1,0,0]=3 431 B19R2.1388200 CC(O)CCOC1(CCCCC1)c2ccccc2 34a_100011219906_100012276601 [0,1,1,0,0,0|1,0,0]=3 432 B19R2.1388200 CC(O)CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100012276601 [0,1,1,0,0,0|1,0,0]=3 433 B19R2.1388200 CC(O)CCOC1(CCOCC1)c2ccccc2 34a_100000754853_100012276601 [0,1,1,0,0,0|2,0,0]=4 434 B19R2.1388200 CC(O)CCOC1(CCOCC1)c2ccccc2 7a_100000754853_100012276601 [0,1,1,0,0,0|2,0,0]=4 435 B19R2.1388200 CC(O)CNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100011218427 [0,1,1,0,0,0|2,0,0]=4 436 B19R2.1388200 CC(O)CNCC1(CCCCC1)c2ccccc2 34a_100011230113_100011218427 [0,1,1,0,0,0|2,0,0]=4 437 B19R2.1388200 CN(C)CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000755713 [0,1,1,0,0,0|2,0,0]=4 438 B19R2.1388200 C[C@@H](O)CNCC1(CCCCC1)c2ccccc2 2230a_100011230113_100009817552 [0,1,1,0,0,0|2,0,0]=4 439 B19R2.1388200 C[C@@H](O)CNCC1(CCCCC1)c2ccccc2 34a_100011230113_100009817552 [0,1,1,0,0,0|2,0,0]=4 440 B19R2.1665936 CCCCOC1(CCNCC1)c2ccccc2C 34a_200000763583_100000210210 [0,1,1,0,0,0|2,0,0]=4 441 B19R2.1665936 CCCCOC1(CCNCC1)c2ccccc2F 34a_100015333446_100000210210 [0,1,1,0,0,0|2,0,0]=4 442 B21R3.142532 CC1CCC(C1)NC2(CCOCC2)c3ccccc3 270004a_100000754981_100011215218 [0,1,0,0,0,1|2,0,0]=4 443 B21R3.142532 CN1CCC(C1)OC2(CCCCC2)c3ccccc3 7a_100011219906_200012183744 [0,1,0,0,0,1|2,0,0]=4 444 B21R3.142532 OC1CCC(C1)NC2(CCOCC2)c3ccccc3 270004a_100000754981_100012614533 [0,1,0,0,0,1|2,0,0]=4 445 B21R3.206831 O=C1CCCC1OC2(CCCCC2)c3ccccc3 34a_100011219906_100000709159 [0,1,0,0,0,1|1,0,1]=4 446 B21R3.206831 O=C1CCCC1OC2(CCCCC2)c3ccccc3 7a_100011219906_100000211823 [0,1,0,0,0,1|1,0,1]=4 447 B21R3.206831 OC1COCC1OC2(CCCCC2)c3ccccc3 34a_100011219906_200000725654 [0,1,0,0,0,1|2,0,0]=4 448 B21R3.206831 OC1COCC1OC2(CCCCC2)c3ccccc3 7a_100011219906_200000725654 [0,1,0,0,0,1|2,0,0]=4 449 B21R3.649890 CN1CCC(CC1)(OC2CCCC2)c3ccccc3 7a_100000755193_100000179811 [0,1,0,0,0,1|2,0,0]=4 450 B21R3.3961589 Cc1ccccc1C2(CCNCC2)OC3CCCC3 34a_200000763583_100000179811 [0,1,0,0,0,1|2,0,0]=4 451 B21R3.3961589 Fc1ccccc1C2(CCNCC2)OC3CCCC3 34a_100015333446_100000179811 [0,1,0,0,0,1|2,0,0]=4 452 B21R3.9405802 Brc1ccc(cc1)C2(CCCCC2)OC3CCCC3 34a_200010132841_100000179811 [0,1,0,0,0,1|1,0,0]=3 453 B21R3.9405802 Brc1ccc(cc1)C2(CCCCC2)OC3CCCC3 7a_200010132841_100000179811 [0,1,0,0,0,1|1,0,0]=3 454 B21R3.9405802 Brc1ccc(cc1)C2(CCCCC2)OC3CCOC3 34a_200010132841_100000690089 [0,1,0,0,0,1|2,0,0]=4 455 B21R3.9405802 Brc1ccc(cc1)C2(CCCCC2)OC3CCOC3 7a_200010132841_100000731011 [0,1,0,0,0,1|2,0,0]=4 456 B21R3.9405802 Brc1ccc(cc1)C2(CCNCC2)OC3CCCC3 34a_100121572065_100000179811 [0,1,0,0,0,1|2,0,0]=4 457 B21R3.9405802 Brc1ccc(cc1)C2(CCOCC2)OC3CCCC3 34a_100010245627_100000179811 [0,1,0,0,0,1|2,0,0]=4 458 B21R3.9405802 Brc1ccc(cc1)C2(CCOCC2)OC3CCCC3 7a_100010245627_100000179811 [0,1,0,0,0,1|2,0,0]=4 459 B21R3.9405802 Cc1ccc(cc1)C2(CCNCC2)OC3CCCC3 34a_100011236475_100000179811 [0,1,0,0,0,1|2,0,0]=4 460 B21R3.9405802 Clc1ccc(cc1)C2(CCCCC2)OC3CCCC3 34a_100011362123_100000179811 [0,1,0,0,0,1|1,0,0]=3 461 B21R3.9405802 Clc1ccc(cc1)C2(CCCCC2)OC3CCCC3 7a_100011362123_100000179811 [0,1,0,0,0,1|1,0,0]=3 462 B21R3.9405802 Clc1ccc(cc1)C2(CCCCC2)OC3CCOC3 34a_100011362123_100000690089 [0,1,0,0,0,1|2,0,0]=4 463 B21R3.9405802 Clc1ccc(cc1)C2(CCCCC2)OC3CCOC3 7a_100011362123_100000731011 [0,1,0,0,0,1|2,0,0]=4 464 B21R3.9405802 Clc1ccc(cc1)C2(CCNCC2)OC3CCCC3 34a_100011218428_100000179811 [0,1,0,0,0,1|2,0,0]=4 465 B21R3.9405802 Fc1ccc(cc1)C2(CCNCC2)OC3CCCC3 34a_100016991077_100000179811 [0,1,0,0,0,1|2,0,0]=4 466 B21R3.11154620 O=C(C1CCCC1)C2(CCCCC2)c3ccccc3 1458a_100011217237_100000179811 [0,1,0,0,0,1|1,0,0]=3 467 B21R3.11154620 O=C(C1CCCC1)C2(CCOCC2)c3ccccc3 1458a_100000739152_100000179811 [0,1,0,0,0,1|2,0,0]=4 468 B21R3.11154620 O=C(C1CCOC1)C2(CCCCC2)c3ccccc3 1458a_100011217237_100000690089 [0,1,0,0,0,1|2,0,0]=4 469 B21R3.11154620 O=C(N1CC=CC1)C2(CCCCC2)c3ccccc3 1626a_100015195280_100011217237 [0,1,0,0,0,1|0,0,2]=4 470 B21R3.11154620 O=C(N1CC=CC1)C2(CCCCC2)c3ccccc3 240690a_100015195280_100011217237 [0,1,0,0,0,1|0,0,2]=4 471 B21R3.11154620 O=C(N1CCCC1)C2(CCCCC2)c3ccccc3 240690a_100000188435_100011217237 [0,1,0,0,0,1|0,0,0]=2 472 B21R3.11154620 O=C(N1CCCC1)C2(CCOCC2)c3ccccc3 240690a_100000188435_100000739152 [0,1,0,0,0,1|1,0,0]=3 473 B21R3.11154620 O=C(N1CCSC1)C2(CCCCC2)c3ccccc3 11a_100011215254_100011217237 [0,1,0,0,0,1|1,0,0]=3 474 B21R3.11154620 O=C(N1CCSC1)C2(CCCCC2)c3ccccc3 240690a_100011215254_100011217237 [0,1,0,0,0,1|1,0,0]=3 475 B21R3.11154620 O=C(N1CCSC1)C2(CCOCC2)c3ccccc3 11a_100011215254_100000739152 [0,1,0,0,0,1|2,0,0]=4 476 B21R3.11154620 O=C(N1CCSC1)C2(CCOCC2)c3ccccc3 240690a_100011215254_100000739152 [0,1,0,0,0,1|2,0,0]=4 477 B21R3.23118196 Fc1cccc(c1)C2(CCCCC2)OC3CCCC3 34a_100011350292_100000179811 [0,1,0,0,0,1|1,0,0]=3 478 B21R3.23118196 Fc1cccc(c1)C2(CCCCC2)OC3CCCC3 7a_100011350292_100000179811 [0,1,0,0,0,1|1,0,0]=3 479 B21R3.23118196 Fc1cccc(c1)C2(CCCCC2)OC3CCOC3 34a_100011350292_100000690089 [0,1,0,0,0,1|2,0,0]=4 480 B21R3.23118196 Fc1cccc(c1)C2(CCCCC2)OC3CCOC3 7a_100011350292_100000731011 [0,1,0,0,0,1|2,0,0]=4 481 B21R3.23118196 Fc1cccc(c1)C2(CCNCC2)OC3CCCC3 34a_100153394307_100000179811 [0,1,0,0,0,1|2,0,0]=4 482 B17R1.4005 CCCCCN(c1ccccc1)C(C)CCC 2230a_200000219563_100000766640 [0,0,2,0,0,0|2,0,0]=4 483 B17R1.4005 CCCCCN(c1ccccc1)C(C)CCC 269982a_200000219563_100000766640 [0,0,2,0,0,0|2,0,0]=4 484 B17R1.4005 CCCCCN(c1ccccc1)C(C)CCC 34a_200000219563_100000766640 [0,0,2,0,0,0|2,0,0]=4 485 B17R1.4005 CCCCCN(c1ccccc1)C(C)CCC 7a_200000219563_100000766640 [0,0,2,0,0,0|2,0,0]=4 486 B17R1.4024 CCCCCN(c1ccccc1)C(CC)CC 269982a_200000219563_100000210505 [0,0,2,0,0,0|2,0,0]=4 487 B17R1.4024 CCCCCN(c1ccccc1)C(CC)CC 7a_200000219563_100000210505 [0,0,2,0,0,0|2,0,0]=4 488 B17R1.25042 C=CCCNC(CCCCC)c1ccccc1 269862a_100015191253_100000211787 [0,0,2,0,0,0|0,0,2]=4 489 B17R1.25042 CCCCCC(NCCCC)c1ccccc1 269862a_100000102301_100000211787 [0,0,2,0,0,0|0,0,0]=2 490 B17R1.25042 CCCCCC(NCCCC)c1cccnc1 269862a_100000102301_200011709928 [0,0,2,0,0,0|1,0,0]=3 491 B17R1.25042 CCCCCC(NCCCF)c1ccccc1 269862a_100015189416_100000211787 [0,0,2,0,0,0|1,0,0]=3 492 B17R1.25042 CCCCCC(NCCCF)c1cccnc1 269862a_100015189416_200011709928 [0,0,2,0,0,0|2,0,0]=4 493 B17R1.25042 CCCCCC(NCCCO)c1ccccc1 269862a_100000182051_100000211787 [0,0,2,0,0,0|1,0,0]=3 494 B17R1.25042 CCCCCC(NCCCO)c1cccnc1 269862a_100000182051_200011709928 [0,0,2,0,0,0|2,0,0]=4 495 B17R1.25042 CCCCCC(NCCOC)c1ccccc1 269862a_100000209980_100000211787 [0,0,2,0,0,0|1,0,0]=3 496 B17R1.25042 CCCCCC(NCCOC)c1cccnc1 269862a_100000209980_200011709928 [0,0,2,0,0,0|2,0,0]=4 497 B17R1.25042 CCCCCC(NCCSC)c1ccccc1 269862a_100020590264_100000211787 [0,0,2,0,0,0|1,0,0]=3 498 B17R1.25042 CCCCCC(NCCSC)c1cccnc1 269862a_100020590264_200011709928 [0,0,2,0,0,0|2,0,0]=4 499 B17R1.25042 CCCCCC(OCCCC)c1ccccc1 34a_100000748122_100000210210 [0,0,2,0,0,0|1,0,0]=3 500 B17R1.25042 CCCCCC(OCCCC)c1ccccc1 7a_100000748122_100000210211 [0,0,2,0,0,0|1,0,0]=3 501 B17R1.25042 CCCCCC(OCCCF)c1ccccc1 34a_100000748122_100011934791 [0,0,2,0,0,0|2,0,0]=4 502 B17R1.25042 CCCCCC(OCCCF)c1ccccc1 7a_100000748122_100011934791 [0,0,2,0,0,0|2,0,0]=4 503 B17R1.25042 CCCCCC(OCCCO)c1ccccc1 34a_100000748122_100000230001 [0,0,2,0,0,0|2,0,0]=4 504 B17R1.25042 CCCCCC(OCCCO)c1ccccc1 7a_100000748122_100011215043 [0,0,2,0,0,0|2,0,0]=4 505 B17R1.25042 CCCCCC(OCCOC)c1ccccc1 34a_100000748122_100011201679 [0,0,2,0,0,0|2,0,0]=4 506 B17R1.25042 CCCCCC(OCCOC)c1ccccc1 7a_100000748122_100000233755 [0,0,2,0,0,0|2,0,0]=4 507 B17R1.25042 CCCCCC(OCCSC)c1ccccc1 34a_100000748122_100000212216 [0,0,2,0,0,0|2,0,0]=4 508 B17R1.25042 CCCCCC(OCCSC)c1ccccc1 7a_100000748122_100000212216 [0,0,2,0,0,0|2,0,0]=4 509 B17R1.25042 CCCCCN(CCCCC)c1ccccc1 2230a_200000219563_100000210326 [0,0,2,0,0,0|2,0,0]=4 510 B17R1.25042 CCCCCN(CCCCC)c1ccccc1 269982a_200000219563_100000210215 [0,0,2,0,0,0|2,0,0]=4 511 B17R1.25042 CCCCCN(CCCCC)c1ccccc1 34a_200000219563_100000718602 [0,0,2,0,0,0|2,0,0]=4 512 B17R1.25042 CCCCCN(CCCCC)c1ccccc1 7a_200000219563_100000210326 [0,0,2,0,0,0|2,0,0]=4 513 B17R1.25042 CCCCNC(CCCNC)c1cccnc1 269862a_100000102301_100020654510 [0,0,2,0,0,0|2,0,0]=4 514 B19R3.19218 c1ccc(cc1)C(NCC2CC2)C3CCCC3 2230a_100000746738_100000742324 [0,0,1,1,0,0|2,0,0]=4 515 B19R3.19218 c1ccc(cc1)C(NCC2CC2)C3CCCC3 269862a_100000746738_100000741477 [0,0,1,1,0,0|2,0,0]=4 516 B19R3.19218 c1ccc(cc1)C(NCC2CC2)C3CCCC3 34a_100000746738_100000742324 [0,0,1,1,0,0|2,0,0]=4 517 B19R3.19293 c1ccc(cc1)C(NC2CCC2)C3CCCC3 269862a_100000749019_100000753715 [0,0,1,1,0,0|2,0,0]=4 518 B19R3.19293 c1ccc(cc1)C(NC2CCC2)C3CCCC3 270004a_100000746738_100000241760 [0,0,1,1,0,0|2,0,0]=4 519 B19R3.19293 c1ccc(cc1)C(NC2CCC2)C3CCCC3 34a_100000746738_100000749161 [0,0,1,1,0,0|2,0,0]=4 520 B19R3.4695657 c1ccc(cc1)C2(CCCCC2)OC3CCC3 34a_100011219906_100000749161 [0,0,1,1,0,0|1,0,0]=3 521 B19R3.4695657 c1ccc(cc1)C2(CCCCC2)OC3COC3 34a_100011219906_100009818527 [0,0,1,1,0,0|2,0,0]=4 522 B19R3.4695657 c1ccc(cc1)C2(CCCCC2)OC3COC3 7a_100011219906_100009818527 [0,0,1,1,0,0|2,0,0]=4 523 B19R3.4695657 c1ccc(cc1)C2(CCOCC2)NC3CCC3 270004a_100000754981_100000241760 [0,0,1,1,0,0|1,0,0]=3 524 B19R3.4695657 c1ccc(cc1)C2(CCOCC2)NC3CCC3 34a_100000754981_100000749161 [0,0,1,1,0,0|1,0,0]=3 525 B19R3.4695657 c1ccc(cc1)C2(CCOCC2)NC3COC3 34a_100000754981_100009818527 [0,0,1,1,0,0|2,0,0]=4 526 B19R3.4695657 c1ccc(cc1)C2(CCOCC2)OC3CCC3 34a_100000754853_100000749161 [0,0,1,1,0,0|2,0,0]=4 527 B19R3.4695658 c1ccc(cc1)C2(CCCCC2)CNC3CC3 34a_100011230113_100000211595 [0,0,1,1,0,0|2,0,0]=4 528 B19R3.4695658 c1ccc(cc1)C2(CCCCC2)OCC3CC3 34a_100011219906_100000742324 [0,0,1,1,0,0|1,0,0]=3 529 B19R3.4695658 c1ccc(cc1)C2(CCCCC2)OCC3CC3 7a_100011219906_100000742324 [0,0,1,1,0,0|1,0,0]=3 530 B19R3.4695658 c1ccc(cc1)C2(CCCCC2)OCC3CO3 34a_100011219906_102125554688 [0,0,1,1,0,0|2,0,0]=4 531 B19R3.4695658 c1ccc(cc1)C2(CCCCC2)OCC3CO3 7a_100011219906_102125554688 [0,0,1,1,0,0|2,0,0]=4 532 B19R3.4695658 c1ccc(cc1)C2(CCCCC2)OCC3CS3 7a_100011219906_100000031435 [0,0,1,1,0,0|2,0,0]=4 533 B19R3.4695658 c1ccc(cc1)C2(CCCCC2)OC[C@@H]3CO3 7a_100011219906_100000745022 [0,0,1,1,0,0|2,0,0]=4 534 B19R3.4695658 c1ccc(cc1)C2(CCOCC2)NCC3CC3 2230a_100000754981_100000742324 [0,0,1,1,0,0|1,0,0]=3 535 B19R3.4695658 c1ccc(cc1)C2(CCOCC2)NCC3CC3 34a_100000754981_100000742324 [0,0,1,1,0,0|1,0,0]=3 536 B19R3.4695658 c1ccc(cc1)C2(CCOCC2)NCC3CO3 2230a_100000754981_100011216344 [0,0,1,1,0,0|2,0,0]=4 537 B19R3.4695658 c1ccc(cc1)C2(CCOCC2)NCC3CO3 34a_100000754981_102125554688 [0,0,1,1,0,0|2,0,0]=4 538 B19R3.4695658 c1ccc(cc1)C2(CCOCC2)OCC3CC3 34a_100000754853_100000742324 [0,0,1,1,0,0|2,0,0]=4 539 B19R3.4695658 c1ccc(cc1)C2(CCOCC2)OCC3CC3 7a_100000754853_100000742324 [0,0,1,1,0,0|2,0,0]=4 540 B17R2.8530 CCCCCC(c1ccco1)N2CCCC2 270004a_100000188435_200011215134 [0,0,1,0,1,0|1,0,0]=3 541 B17R2.8530 CCCCCC(c1ccco1)N2CCSC2 270004a_100011215254_200011215134 [0,0,1,0,1,0|2,0,0]=4 542 B17R2.77973 CCCCCN(c1ccccc1)C2CCC2 269982a_200000219563_100000749161 [0,0,1,0,1,0|2,0,0]=4 543 B17R2.77973 CCCCCN(c1ccccc1)C2CCC2 34a_200000219563_100000749161 [0,0,1,0,1,0|2,0,0]=4 544 B17R2.77973 CCCCNC(c1ccccc1)C2CCC2 269862a_100000102301_100011215208 [0,0,1,0,1,0|2,0,0]=4 545 B17R2.77973 CCCCN[C@@H](c1ccccc1)C2CCC2 2230a_100025717287_100000210211 [0,0,1,0,1,0|2,0,0]=4 546 B17R2.77973 CCCCN[C@@H](c1ccccc1)C2CCC2 34a_100025717287_100000210210 [0,0,1,0,1,0|2,0,0]=4 547 B17R2.49437 CCCC(=O)C1(CCCC1)c2ccccc2 1458a_100000211583_100000210303 [0,0,1,0,1,0|2,0,0]=4 548 B17R2.45860 C#CCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000688953 [0,0,1,0,1,0|0,0,2]=4 549 B17R2.45860 C#CCCNC1(CCCC1)c2ccccc2 34a_100025739779_100000688953 [0,0,1,0,1,0|0,0,2]=4 550 B17R2.45860 C/C=C/CNC1(CCCC1)c2ccccc2 34a_100025739779_100102629194 [0,0,1,0,1,0|0,0,2]=4 551 B17R2.45860 C=CCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000754431 [0,0,1,0,1,0|0,0,2]=4 552 B17R2.45860 C=CCCNC1(CCCC1)c2ccccc2 34a_100025739779_100000754431 [0,0,1,0,1,0|0,0,2]=4 553 B17R2.45860 CC#CCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000748600 [0,0,1,0,1,0|0,0,2]=4 554 B17R2.45860 CC#CCNC1(CCCC1)c2ccccc2 34a_100025739779_100000748600 [0,0,1,0,1,0|0,0,2]=4 555 B17R2.45860 CC=CCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000070051 [0,0,1,0,1,0|0,0,2]=4 556 B17R2.45860 CC=CCNC1(CCCC1)c2ccccc2 34a_100025739779_100000070051 [0,0,1,0,1,0|0,0,2]=4 557 B17R2.45860 CCCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000210211 [0,0,1,0,1,0|0,0,0]=2 558 B17R2.45860 CCCCNC1(CCCC1)c2ccccc2 34a_100025739779_100000210210 [0,0,1,0,1,0|0,0,0]=2 559 B17R2.45860 CCCNCC1(CCCC1)c2ccccc2 2230a_100000239588_100000210303 [0,0,1,0,1,0|2,0,0]=4 560 B17R2.45860 CCCNCC1(CCCC1)c2ccccc2 34a_100000239588_100000210303 [0,0,1,0,1,0|2,0,0]=4 561 B17R2.45860 CCCOCC1(CCCC1)c2ccccc2 34a_100000717885_100000210303 [0,0,1,0,1,0|2,0,0]=4 562 B17R2.45860 CCCOCC1(CCCC1)c2ccccc2 7a_100000717885_100000210303 [0,0,1,0,1,0|2,0,0]=4 563 B17R2.45860 COCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100011201679 [0,0,1,0,1,0|1,0,0]=3 564 B17R2.45860 COCCNC1(CCCC1)c2ccccc2 34a_100025739779_100011201679 [0,0,1,0,1,0|1,0,0]=3 565 B17R2.45860 CSCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000751147 [0,0,1,0,1,0|1,0,0]=3 566 B17R2.45860 CSCCNC1(CCCC1)c2ccccc2 34a_100025739779_100000212216 [0,0,1,0,1,0|1,0,0]=3 567 B17R2.45860 FCCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100011934791 [0,0,1,0,1,0|1,0,0]=3 568 B17R2.45860 FCCCNC1(CCCC1)c2ccccc2 34a_100025739779_100011934791 [0,0,1,0,1,0|1,0,0]=3 569 B17R2.45860 N#CCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100011215226 [0,0,1,0,1,0|1,0,1]=4 570 B17R2.45860 OCCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000230001 [0,0,1,0,1,0|1,0,0]=3 571 B17R2.45860 OCCCNC1(CCCC1)c2ccccc2 34a_100025739779_100000230001 [0,0,1,0,1,0|1,0,0]=3 572 B19R2.422 CCCOC[C@@H](Cc1ccccc1)N2CCCC2 34a_100014295982_100000210303 [0,0,1,0,0,1|1,0,0]=3 573 B19R2.422 CCCOC[C@@H](Cc1ccccc1)N2CCCC2 7a_100014295982_100000210303 [0,0,1,0,0,1|1,0,0]=3 574 B19R2.422 CSCOC[C@@H](Cc1ccccc1)N2CCCC2 34a_100014295982_100011218213 [0,0,1,0,0,1|2,0,0]=4 575 B19R2.422 FCCOC[C@@H](Cc1ccccc1)N2CCCC2 34a_100014295982_100011217306 [0,0,1,0,0,1|2,0,0]=4 576 B19R2.422 FCCOC[C@@H](Cc1ccccc1)N2CCCC2 7a_100014295982_100011217306 [0,0,1,0,0,1|2,0,0]=4 577 B19R2.422 OCCOC[C@@H](Cc1ccccc1)N2CCCC2 34a_100014295982_100000211926 [0,0,1,0,0,1|2,0,0]=4 578 B19R2.422 OCCOC[C@@H](Cc1ccccc1)N2CCCC2 7a_100014295982_100000211926 [0,0,1,0,0,1|2,0,0]=4 579 B19R2.2467 CCCCCC(NC1CCCC1)c2ccccc2 269862a_100000211070_100000211787 [0,0,1,0,0,1|1,0,0]=3 580 B19R2.2467 CCCCCC(NC1CCCC1)c2cccnc2 269862a_100000211070_200011709928 [0,0,1,0,0,1|2,0,0]=4 581 B19R2.2467 CCCCCC(N[C@@H]1CCOC1)c2ccccc2 269862a_200015188469_100000211787 [0,0,1,0,0,1|2,0,0]=4 582 B19R2.2467 CCCCCC(N[C@H]1CCOC1)c2ccccc2 269862a_100015188467_100000211787 [0,0,1,0,0,1|2,0,0]=4 583 B19R2.2467 CCCCCC(OC1CCCC1)c2ccccc2 34a_100000748122_100000179811 [0,0,1,0,0,1|1,0,0]=3 584 B19R2.2467 CCCCCC(OC1CCCC1)c2ccccc2 7a_100000748122_100000179811 [0,0,1,0,0,1|1,0,0]=3 585 B19R2.2467 CCCCCC(OC1CCOC1)c2ccccc2 34a_100000748122_100000690089 [0,0,1,0,0,1|2,0,0]=4 586 B19R2.2467 CCCCCC(OC1CCOC1)c2ccccc2 7a_100000748122_100000731011 [0,0,1,0,0,1|2,0,0]=4 587 B19R2.2467 CCCCCN(CC1CCCC1)c2ccccc2 2230a_200000219563_100000740388 [0,0,1,0,0,1|2,0,0]=4 588 B19R2.2467 CCCCCN(CC1CCCC1)c2ccccc2 269982a_200000219563_100000740388 [0,0,1,0,0,1|2,0,0]=4 589 B19R2.2467 CCCCCN(CC1CCCC1)c2ccccc2 34a_200000219563_100000740388 [0,0,1,0,0,1|2,0,0]=4 590 B19R2.2467 CCCCCN(CC1CCCC1)c2ccccc2 7a_200000219563_100000740388 [0,0,1,0,0,1|2,0,0]=4 591 B19R2.2474 CCCCCN(c1ccccc1)C2CCCCC2 2230a_100000181333_100000210326 [0,0,1,0,0,1|2,0,0]=4 592 B19R2.2474 CCCCCN(c1ccccc1)C2CCCCC2 269982a_100000181333_100000210215 [0,0,1,0,0,1|2,0,0]=4 593 B19R2.2474 CCCCCN(c1ccccc1)C2CCCCC2 269982a_200000219563_100000210327 [0,0,1,0,0,1|2,0,0]=4 594 B19R2.2474 CCCCCN(c1ccccc1)C2CCCCC2 34a_100000181333_100000718602 [0,0,1,0,0,1|2,0,0]=4 595 B19R2.2474 CCCCCN(c1ccccc1)C2CCCCC2 34a_200000219563_100000210327 [0,0,1,0,0,1|2,0,0]=4 596 B19R2.2474 CCCCCN(c1ccccc1)C2CCCCC2 7a_100000181333_100000210326 [0,0,1,0,0,1|2,0,0]=4 597 B19R2.2474 CCCCCN(c1ccccc1)C2CCCCC2 7a_200000219563_100000210327 [0,0,1,0,0,1|2,0,0]=4 598 B19R2.2474 CCCCCN(c1ccccc1)C2CCCOC2 269982a_200000219563_100000693364 [0,0,1,0,0,1|2,0,0]=4 599 B19R2.2474 CCCCCN(c1ccccc1)C2CCCOC2 34a_200000219563_100000693364 [0,0,1,0,0,1|2,0,0]=4 600 B19R2.2474 CCCCCN(c1ccccc1)C2CCCOC2 7a_200000219563_100000693364 [0,0,1,0,0,1|2,0,0]=4 601 B19R2.2474 CCCCCN(c1ccccc1)C2CCOCC2 269982a_200000219563_100011324220 [0,0,1,0,0,1|2,0,0]=4 602 B19R2.2474 CCCCCN(c1ccccc1)C2CCOCC2 7a_200000219563_100000686592 [0,0,1,0,0,1|2,0,0]=4 603 B19R2.2474 CCCCCN(c1ccccc1)C2CCSCC2 269982a_200000219563_100000069128 [0,0,1,0,0,1|2,0,0]=4 604 B19R2.2474 CCCCCN(c1ccccc1)C2CCSCC2 34a_200000219563_100000069128 [0,0,1,0,0,1|2,0,0]=4 605 B19R2.2474 CCCCCN(c1ccccc1)C2CCSCC2 7a_200000219563_100011500858 [0,0,1,0,0,1|2,0,0]=4 606 B19R2.2474 CCCCNC(c1ccccc1)C2CCCCC2 2230a_100000739561_100000210211 [0,0,1,0,0,1|2,0,0]=4 607 B19R2.2474 CCCCNC(c1ccccc1)C2CCCCC2 269862a_100000102301_100000211043 [0,0,1,0,0,1|2,0,0]=4 608 B19R2.2474 CCCCNC(c1ccccc1)C2CCCCC2 34a_100000739561_100000210210 [0,0,1,0,0,1|2,0,0]=4 609 B19R2.2474 CCCCNC(c1ccccc1)C2CCCNC2 269862a_100000102301_100015185631 [0,0,1,0,0,1|2,0,0]=4 610 B19R2.2474 CCCCNC(c1ccccc1)C2CCNCC2 269862a_100000102301_100000736635 [0,0,1,0,0,1|2,0,0]=4 611 B19R2.2474 CCCCNC(c1ccccc1)C2CCOCC2 269862a_100000102301_200000755960 [0,0,1,0,0,1|2,0,0]=4 612 B19R2.2474 CCCCOC(c1ccccc1)C2CCCCC2 34a_100011220086_100000210210 [0,0,1,0,0,1|2,0,0]=4 613 B19R2.2474 CCCCOC(c1ccccc1)C2CCCCC2 7a_100011220086_100000210211 [0,0,1,0,0,1|2,0,0]=4 614 B19R2.2474 CCCCOC(c1ccccc1)C2CCCCN2 34a_100000748754_100000210210 [0,0,1,0,0,1|2,0,0]=4 615 B19R2.2474 CCCCOC(c1ccccc1)C2CCNCC2 34a_100000735454_100000210210 [0,0,1,0,0,1|2,0,0]=4 616 B19R2.2474 CCCCO[C@@H](c1ccccc1)C2CCOCC2 34a_200011056286_100000210210 [0,0,1,0,0,1|2,0,0]=4 617 B19R2.2474 CCCCO[C@@H](c1ccccc1)C2CCOCC2 7a_200011056286_100000210211 [0,0,1,0,0,1|2,0,0]=4 618 B19R2.2474 CCCNCC(c1ccccc1)N2CCOCC2 2230a_100000736688_100000210303 [0,0,1,0,0,1|1,0,0]=3 619 B19R2.2474 CCCNCC(c1ccccc1)N2CCOCC2 34a_100000736688_100000210303 [0,0,1,0,0,1|1,0,0]=3 620 B19R2.2474 CCCNCC(c1ccccn1)N2CCOCC2 2230a_100011209017_100000210303 [0,0,1,0,0,1|2,0,0]=4 621 B19R2.2474 CCCNCC(c1cccnc1)N2CCOCC2 2230a_100000217541_100000210303 [0,0,1,0,0,1|2,0,0]=4 622 B19R2.2474 CCCNCC(c1cccnc1)N2CCOCC2 34a_100000217541_100000210303 [0,0,1,0,0,1|2,0,0]=4 623 B19R2.2474 COCNCC(c1ccccc1)N2CCOCC2 2230a_100000736688_100000766300 [0,0,1,0,0,1|2,0,0]=4 624 B19R2.2474 CSCNCC(c1ccccc1)N2CCOCC2 2230a_100000736688_100011218213 [0,0,1,0,0,1|2,0,0]=4 625 B19R2.2474 CSCNCC(c1ccccc1)N2CCOCC2 34a_100000736688_100011218213 [0,0,1,0,0,1|2,0,0]=4 626 B19R2.2474 FCCNCC(c1ccccc1)N2CCOCC2 2230a_100000736688_100011217306 [0,0,1,0,0,1|2,0,0]=4 627 B19R2.2474 FCCNCC(c1ccccc1)N2CCOCC2 34a_100000736688_100011217306 [0,0,1,0,0,1|2,0,0]=4 628 B19R2.2474 OCCNCC(c1ccccc1)N2CCOCC2 2230a_100000736688_100000211926 [0,0,1,0,0,1|2,0,0]=4 629 B19R2.2474 OCCNCC(c1ccccc1)N2CCOCC2 34a_100000736688_100000211926 [0,0,1,0,0,1|2,0,0]=4 630 B19R2.1011489 CCC(CC)NC1(CCOCC1)c2ccccc2 270004a_100000754981_100000210860 [0,0,1,0,0,1|2,0,0]=4 631 B19R2.1011489 CCC(CC)OC1(CCCCC1)c2ccccc2 7a_100011219906_100000210505 [0,0,1,0,0,1|1,0,0]=3 632 B19R2.1011489 CCC(CC)OC1(CCOCC1)c2ccccc2 7a_100000754853_100000210505 [0,0,1,0,0,1|2,0,0]=4 633 B19R2.198479 C#CCCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100000688953 [0,0,1,0,0,1|0,0,2]=4 634 B19R2.198479 C#CCCNC1(CCCCCC1)c2ccccc2 34a_100016987325_100000688953 [0,0,1,0,0,1|0,0,2]=4 635 B19R2.198479 C/C=C/CNC1(CCCCCC1)c2ccccc2 34a_100016987325_100102629194 [0,0,1,0,0,1|0,0,2]=4 636 B19R2.198479 C=CCCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100000754431 [0,0,1,0,0,1|0,0,2]=4 637 B19R2.198479 C=CCCNC1(CCCCCC1)c2ccccc2 34a_100016987325_100000754431 [0,0,1,0,0,1|0,0,2]=4 638 B19R2.198479 CC#CCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100000748600 [0,0,1,0,0,1|0,0,2]=4 639 B19R2.198479 CC#CCNC1(CCCCCC1)c2ccccc2 34a_100016987325_100000748600 [0,0,1,0,0,1|0,0,2]=4 640 B19R2.198479 CC=CCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100000070051 [0,0,1,0,0,1|0,0,2]=4 641 B19R2.198479 CC=CCNC1(CCCCCC1)c2ccccc2 34a_100016987325_100000070051 [0,0,1,0,0,1|0,0,2]=4 642 B19R2.198479 CCCCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100000210211 [0,0,1,0,0,1|0,0,0]=2 643 B19R2.198479 CCCCNC1(CCCCCC1)c2ccccc2 34a_100016987325_100000210210 [0,0,1,0,0,1|0,0,0]=2 644 B19R2.198479 COCCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100011201679 [0,0,1,0,0,1|1,0,0]=3 645 B19R2.198479 COCCNC1(CCCCCC1)c2ccccc2 34a_100016987325_100011201679 [0,0,1,0,0,1|1,0,0]=3 646 B19R2.198479 CSCCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100000751147 [0,0,1,0,0,1|1,0,0]=3 647 B19R2.198479 CSCCNC1(CCCCCC1)c2ccccc2 34a_100016987325_100000212216 [0,0,1,0,0,1|1,0,0]=3 648 B19R2.198479 FCCCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100011934791 [0,0,1,0,0,1|1,0,0]=3 649 B19R2.198479 FCCCNC1(CCCCCC1)c2ccccc2 34a_100016987325_100011934791 [0,0,1,0,0,1|1,0,0]=3 650 B19R2.198479 N#CCCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100011215226 [0,0,1,0,0,1|1,0,1]=4 651 B19R2.198479 OCCCNC1(CCCCCC1)c2ccccc2 2230a_100016987325_100000230001 [0,0,1,0,0,1|1,0,0]=3 652 B19R2.198479 OCCCNC1(CCCCCC1)c2ccccc2 34a_100016987325_100000230001 [0,0,1,0,0,1|1,0,0]=3 653 B19R3.1761377 c1ccc(cc1)C2(CCCC2)NC3CCCC3 2230a_100025739779_100000179811 [0,0,0,0,1,1|1,0,0]=3 654 B19R3.1761377 c1ccc(cc1)C2(CCCC2)NC3CCCC3 270004a_100025739779_100000210133 [0,0,0,0,1,1|1,0,0]=3 655 B19R3.1761377 c1ccc(cc1)C2(CCCC2)NC3CCCC3 34a_100025739779_100000179811 [0,0,0,0,1,1|1,0,0]=3 656 B19R3.1761377 c1ccc(cc1)C2(CCCC2)NC3CCOC3 2230a_100025739779_100000731011 [0,0,0,0,1,1|2,0,0]=4 657 B19R3.1761377 c1ccc(cc1)C2(CCCC2)NC3CCOC3 270004a_100025739779_100000752484 [0,0,0,0,1,1|2,0,0]=4 658 B19R3.1761377 c1ccc(cc1)C2(CCCC2)NC3CCOC3 34a_100025739779_100000690089 [0,0,0,0,1,1|2,0,0]=4 659 B19R3.1761377 c1ccc(cc1)C2(CCCC2)NC3CCSC3 270004a_100025739779_100000212027 [0,0,0,0,1,1|2,0,0]=4 660 B19R3.1761377 c1ccc(cc1)C2(OCCO2)CN3CCCC3 269982a_100000188435_200009995123 [0,0,0,0,1,1|2,0,0]=4 661 B21R3.11207911 c1ccc(cc1)C2(CCCCCC2)NC3CCCC3 2230a_100016987325_100000179811 [0,0,0,0,0,2|1,0,0]=3 662 B21R3.11207911 c1ccc(cc1)C2(CCCCCC2)NC3CCCC3 270004a_100016987325_100000210133 [0,0,0,0,0,2|1,0,0]=3 663 B21R3.11207911 c1ccc(cc1)C2(CCCCCC2)NC3CCCC3 34a_100016987325_100000179811 [0,0,0,0,0,2|1,0,0]=3 664 B21R3.11207911 c1ccc(cc1)C2(CCCCCC2)NC3CCOC3 2230a_100016987325_100000731011 [0,0,0,0,0,2|2,0,0]=4 665 B21R3.11207911 c1ccc(cc1)C2(CCCCCC2)NC3CCOC3 270004a_100016987325_100000752484 [0,0,0,0,0,2|2,0,0]=4 666 B21R3.11207911 c1ccc(cc1)C2(CCCCCC2)NC3CCOC3 34a_100016987325_100000690089 [0,0,0,0,0,2|2,0,0]=4 667 B21R3.11207911 c1ccc(cc1)C2(CCCCCC2)NC3CCSC3 270004a_100016987325_100000212027 [0,0,0,0,0,2|2,0,0]=4 668 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)CNC3CCCC3 2230a_100011230113_100000179811 [0,0,0,0,0,2|1,0,0]=3 669 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)CNC3CCCC3 270004a_100011230113_100000210133 [0,0,0,0,0,2|1,0,0]=3 670 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)CNC3CCCC3 34a_100011230113_100000179811 [0,0,0,0,0,2|1,0,0]=3 671 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)CNC3CCOC3 2230a_100011230113_100000731011 [0,0,0,0,0,2|2,0,0]=4 672 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)CNC3CCOC3 270004a_100011230113_100000752484 [0,0,0,0,0,2|2,0,0]=4 673 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)CNC3CCOC3 34a_100011230113_100000690089 [0,0,0,0,0,2|2,0,0]=4 674 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)CNC3CCSC3 270004a_100011230113_100000212027 [0,0,0,0,0,2|2,0,0]=4 675 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)OCC3CCCC3 34a_100011219906_100000740388 [0,0,0,0,0,2|1,0,0]=3 676 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)OCC3CCCC3 7a_100011219906_100000740388 [0,0,0,0,0,2|1,0,0]=3 677 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)OCC3CCCO3 7a_100011219906_100000203698 [0,0,0,0,0,2|2,0,0]=4 678 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)OCC3CCOC3 34a_100011219906_100011261433 [0,0,0,0,0,2|2,0,0]=4 679 B21R3.13902945 c1ccc(cc1)C2(CCCCC2)OCC3CCOC3 7a_100011219906_100000702531 [0,0,0,0,0,2|2,0,0]=4 680 B21R3.13902945 c1ccc(cc1)C2(CCOCC2)CNC3CCCC3 2230a_100000739137_100000179811 [0,0,0,0,0,2|2,0,0]=4 681 B21R3.13902945 c1ccc(cc1)C2(CCOCC2)CNC3CCCC3 270004a_100000739137_100000210133 [0,0,0,0,0,2|2,0,0]=4 682 B21R3.13902945 c1ccc(cc1)C2(CCOCC2)CNC3CCCC3 34a_100000739137_100000179811 [0,0,0,0,0,2|2,0,0]=4 683 B21R3.13902945 c1ccc(cc1)C2(CCOCC2)NCC3CCCC3 2230a_100000754981_100000740388 [0,0,0,0,0,2|2,0,0]=4 684 B21R3.13902945 c1ccc(cc1)C2(CCOCC2)NCC3CCCC3 34a_100000754981_100000740388 [0,0,0,0,0,2|2,0,0]=4 685 B21R3.13902945 c1ccc(cc1)C2(CCOCC2)OCC3CCCC3 34a_100000754853_100000740388 [0,0,0,0,0,2|2,0,0]=4 686 B21R3.13902945 c1ccc(cc1)C2(CCOCC2)OCC3CCCC3 7a_100000754853_100000740388 [0,0,0,0,0,2|2,0,0]=4