0 B17R2.219 Cc1cc(ccc1O)C(=O)C2CCCCC2 1458a_100000685612_100000210327 [0,0,0,0,0,0|2,0,2]=4 1 B17R2.219 Cc1ccc(cc1O)C(=O)C2CCCCC2 1458a_100000233767_100000210327 [0,0,0,0,0,0|2,0,2]=4 2 B17R2.219 O=C(c1ccc(c(c1)Br)O)C2CCCCC2 1458a_100000189672_100000210327 [0,0,0,0,0,0|2,0,2]=4 3 B17R2.219 O=C(c1ccc(c(c1)Cl)O)C2CCCCC2 1458a_100000212196_100000210327 [0,0,0,0,0,0|2,0,2]=4 4 B17R2.219 O=C(c1ccc(c(c1)F)O)C2CCCCC2 1458a_100000185466_100000210327 [0,0,0,0,0,0|2,0,2]=4 5 B17R2.219 O=C(c1ccc(c(c1)I)O)C2CCCCC2 1458a_100000037485_100000210327 [0,0,0,0,0,0|2,0,2]=4 6 B17R2.219 O=C(c1ccc(c(c1)O)Br)C2CCCCC2 1458a_100000689001_100000210327 [0,0,0,0,0,0|2,0,2]=4 7 B17R2.219 O=C(c1ccc(c(c1)O)Cl)C2CCCCC2 1458a_100011933997_100000210327 [0,0,0,0,0,0|2,0,2]=4 8 B17R2.219 O=C(c1ccc(c(c1)O)F)C2CCCCC2 1458a_100000035894_100000210327 [0,0,0,0,0,0|2,0,2]=4 9 B17R2.219 O=C(c1ccc(c(c1)O)I)C2CCCCC2 1458a_100000239334_100000210327 [0,0,0,0,0,0|2,0,2]=4 10 B17R2.219 O=C(c1ccc(c(c1)O)O)C2C=CCCC2 1458a_100000212155_100000751183 [0,0,0,0,0,0|1,0,3]=4 11 B17R2.219 O=C(c1ccc(c(c1)O)O)C2CCCCC2 1458a_100000212155_100000210327 [0,0,0,0,0,0|1,0,2]=3 12 B17R2.219 O=C(c1ccc(c(c1)O)O)C2CCCOC2 1458a_100000212155_100000693364 [0,0,0,0,0,0|2,0,2]=4 13 B17R2.219 O=C(c1ccc(c(c1)O)O)C2CCOCC2 1458a_100000212155_100011324220 [0,0,0,0,0,0|2,0,2]=4 14 B16R2.120 CN(c1ccc(cc1)O)C2CCCCC2 269982a_100000182112_100000210327 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.120 CN(c1ccc(cc1)O)C2CCCCC2 34a_100000182112_100000210327 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.120 O=C(c1ccc(cc1)O)C2CCCCC2 1458a_100000212099_100000210327 [1,0,0,0,0,0|1,0,2]=4 17 B16R2.124 Cc1cc(ccc1O)NC2CCCCC2 34a_100011218179_100000210327 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.124 Cc1cc(ccc1O)NC2CCCCC2 7a_100011218179_100000210327 [1,0,0,0,0,0|3,0,0]=4 19 B16R2.124 Cc1cc(ccc1O)SC2CCCCC2 62a_100000210327_100000186361 [1,0,0,0,0,0|3,0,0]=4 20 B16R2.124 Cc1ccc(cc1O)NC2CCCCC2 34a_100000759471_100000210327 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.124 Cc1ccc(cc1O)NC2CCCCC2 7a_100000759471_100000210327 [1,0,0,0,0,0|3,0,0]=4 22 B16R2.124 Cc1ccc(cc1O)SC2CCCCC2 62a_100000210327_100000685420 [1,0,0,0,0,0|3,0,0]=4 23 B16R2.124 Cc1ccc(cc1O)SC2CCCCC2 62a_100000685420_100000210327 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.124 Nc1cc(ccc1O)SC2CCCCC2 62a_100000210327_100000752626 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.124 Nc1cc(ccc1O)SC2CCCCC2 62a_100000752626_100000210327 [1,0,0,0,0,0|3,0,0]=4 26 B16R2.124 Nc1ccc(cc1O)SC2CCCCC2 62a_100000210327_100000739049 [1,0,0,0,0,0|3,0,0]=4 27 B16R2.124 Nc1ccc(cc1O)SC2CCCCC2 62a_100000739049_100000210327 [1,0,0,0,0,0|3,0,0]=4 28 B16R2.124 Oc1cc(ccc1Br)SC2CCCCC2 62a_100000210327_100012356990 [1,0,0,0,0,0|3,0,0]=4 29 B16R2.124 Oc1cc(ccc1Br)SC2CCCCC2 62a_100012356990_100000210327 [1,0,0,0,0,0|3,0,0]=4 30 B16R2.124 Oc1cc(ccc1Cl)NC2CCCCC2 34a_100011934209_100000210327 [1,0,0,0,0,0|3,0,0]=4 31 B16R2.124 Oc1cc(ccc1Cl)SC2CCCCC2 62a_100000210327_100011356854 [1,0,0,0,0,0|3,0,0]=4 32 B16R2.124 Oc1cc(ccc1Cl)SC2CCCCC2 62a_100011356854_100000210327 [1,0,0,0,0,0|3,0,0]=4 33 B16R2.124 Oc1cc(ccc1F)CN2CCCCC2 271570a_203496583355_100011397578 [1,0,0,0,0,0|3,0,0]=4 34 B16R2.124 Oc1cc(ccc1F)NC2CCCCC2 34a_100012017398_100000210327 [1,0,0,0,0,0|3,0,0]=4 35 B16R2.124 Oc1cc(ccc1F)NC2CCCCC2 7a_100012017398_100000210327 [1,0,0,0,0,0|3,0,0]=4 36 B16R2.124 Oc1cc(ccc1F)SC2CCCCC2 62a_100000210327_100000686035 [1,0,0,0,0,0|3,0,0]=4 37 B16R2.124 Oc1cc(ccc1F)SC2CCCCC2 62a_100000686035_100000210327 [1,0,0,0,0,0|3,0,0]=4 38 B16R2.124 Oc1ccc(cc1Br)NC2CCCCC2 34a_100011534360_100000210327 [1,0,0,0,0,0|3,0,0]=4 39 B16R2.124 Oc1ccc(cc1Br)SC2CCCCC2 62a_100000210327_100012361655 [1,0,0,0,0,0|3,0,0]=4 40 B16R2.124 Oc1ccc(cc1Br)SC2CCCCC2 62a_100012361655_100000210327 [1,0,0,0,0,0|3,0,0]=4 41 B16R2.124 Oc1ccc(cc1Cl)NC2CCCCC2 34a_100000744943_100000210327 [1,0,0,0,0,0|3,0,0]=4 42 B16R2.124 Oc1ccc(cc1Cl)SC2CCCCC2 62a_100000210327_100012360047 [1,0,0,0,0,0|3,0,0]=4 43 B16R2.124 Oc1ccc(cc1Cl)SC2CCCCC2 62a_100012360047_100000210327 [1,0,0,0,0,0|3,0,0]=4 44 B16R2.124 Oc1ccc(cc1F)NC2CCCCC2 34a_100011220035_100000210327 [1,0,0,0,0,0|3,0,0]=4 45 B16R2.124 Oc1ccc(cc1F)NC2CCCCC2 7a_100011220035_100000210327 [1,0,0,0,0,0|3,0,0]=4 46 B16R2.124 Oc1ccc(cc1F)SC2CCCCC2 62a_100000185481_100000210327 [1,0,0,0,0,0|3,0,0]=4 47 B16R2.124 Oc1ccc(cc1F)SC2CCCCC2 62a_100000210327_100000185481 [1,0,0,0,0,0|3,0,0]=4 48 B16R2.124 Oc1ccc(cc1O)NC2CCCCC2 34a_100102946323_100000210327 [1,0,0,0,0,0|2,0,0]=3 49 B16R2.124 Oc1ccc(cc1O)NC2CCCOC2 34a_100102946323_100000693364 [1,0,0,0,0,0|3,0,0]=4 50 B16R2.124 Oc1ccc(cc1O)NC2CCSCC2 34a_100102946323_100000069128 [1,0,0,0,0,0|3,0,0]=4 51 B16R2.124 Oc1ccc(cc1O)SC2C=CCCC2 62a_100000751183_100009813601 [1,0,0,0,0,0|2,0,1]=4 52 B16R2.124 Oc1ccc(cc1O)SC2CCCCC2 62a_100000210327_100009813601 [1,0,0,0,0,0|2,0,0]=3 53 B16R2.236 CN(c1cccc(c1)O)C2CCCCC2 269982a_100000756613_100000210327 [1,0,0,0,0,0|3,0,0]=4 54 B16R2.236 CN(c1cccc(c1)O)C2CCCCC2 34a_100000756613_100000210327 [1,0,0,0,0,0|3,0,0]=4 55 B16R2.236 O=C(c1cccc(c1)O)C2CCCCC2 1458a_100000183914_100000210327 [1,0,0,0,0,0|1,0,2]=4 56 B18R2.2602 COc1ccc(cc1O)C(=O)C2CCCCC2 1458a_100000766810_100000210327 [0,1,0,0,0,0|1,0,2]=4 57 B18R2.2665 COc1cc(ccc1O)C(=O)C2CCCCC2 1458a_100000687070_100000210327 [0,1,0,0,0,0|1,0,2]=4 58 B18R2.9051 CC1CCC(CC1)C(=O)c2ccc(c(c2)O)O 1458a_100000212155_200011216234 [0,1,0,0,0,0|1,0,2]=4 59 B18R2.32353 O=C(c1ccc(c(c1Cl)O)O)C2CCCCC2 1458a_100009910189_100000210327 [0,1,0,0,0,0|1,0,2]=4 60 B18R2.32353 O=C(c1ccc(c(c1O)O)O)C2CCCCC2 1458a_100000037941_100000210327 [0,1,0,0,0,0|1,0,2]=4 61 B18R2.32588 O=C1CCCCC1C(=O)c2ccc(c(c2)O)O 1458a_100000212155_100000204591 [0,1,0,0,0,0|1,0,2]=4 62 B18R2.38708 O=C(c1cc(c(c(c1)Br)O)O)C2CCCCC2 1458a_200009992764_100000210327 [0,1,0,0,0,0|1,0,2]=4 63 B18R2.38708 O=C(c1cc(c(c(c1)Cl)O)O)C2CCCCC2 1458a_200000078382_100000210327 [0,1,0,0,0,0|1,0,2]=4 64 B18R2.38708 O=C(c1cc(c(c(c1)O)O)O)C2CCCCC2 1458a_100000212154_100000210327 [0,1,0,0,0,0|1,0,2]=4 65 B16R1.4616 C#CCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000688953 [0,0,1,0,0,0|0,0,2]=3 66 B16R1.4616 C/C=C/CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100102629194 [0,0,1,0,0,0|0,0,2]=3 67 B16R1.4616 C=CCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000754431 [0,0,1,0,0,0|0,0,2]=3 68 B16R1.4616 CC#CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000748600 [0,0,1,0,0,0|0,0,2]=3 69 B16R1.4616 CC=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000070051 [0,0,1,0,0,0|0,0,2]=3 70 B16R1.4616 CCCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210757 [0,0,1,0,0,0|1,0,2]=4 71 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991798_200010170092 [0,0,1,0,0,0|1,0,2]=4 72 B16R1.4616 CCCCNCC(=O)c1ccc(c(c1)O)O 7a_106832991798_100000183813 [0,0,1,0,0,0|0,0,2]=3 73 B16R1.4616 CCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210210 [0,0,1,0,0,0|0,0,0]=1 74 B16R1.4616 CCCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000102301_100000761251 [0,0,1,0,0,0|2,0,0]=3 75 B16R1.4616 CCCCNC[C@@H](O)c1ccc(c(c1)F)F 7a_106832991798_100000761251 [0,0,1,0,0,0|2,0,0]=3 76 B16R1.4616 CCCCNN=C(C)c1ccc(c(c1)O)O 4a_100025702795_100000025746 [0,0,1,0,0,0|2,0,1]=4 77 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011995733 [0,0,1,0,0,0|1,0,2]=4 78 B16R1.4616 CCCCOCC(=O)c1ccc(c(c1)O)O 7a_100000210227_100000183813 [0,0,1,0,0,0|1,0,2]=4 79 B16R1.4616 CCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000210227_100000761251 [0,0,1,0,0,0|3,0,0]=4 80 B16R1.4616 CCCCOC[C@@H](O)c1ccc(c(c1)F)F 7a_100000210227_100000761251 [0,0,1,0,0,0|3,0,0]=4 81 B16R1.4616 CCCCSCC(=O)c1ccc(c(c1)O)O 62a_100000210211_100000183813 [0,0,1,0,0,0|1,0,2]=4 82 B16R1.4616 CCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210211_100000761251 [0,0,1,0,0,0|3,0,0]=4 83 B16R1.4616 CCCCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210210 [0,0,1,0,0,0|3,0,0]=4 84 B16R1.4616 COCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011201679 [0,0,1,0,0,0|1,0,0]=2 85 B16R1.4616 COCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000209980_100000761251 [0,0,1,0,0,0|3,0,0]=4 86 B16R1.4616 CSCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000212216 [0,0,1,0,0,0|1,0,0]=2 87 B16R1.4616 CSCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020590264_100000761251 [0,0,1,0,0,0|3,0,0]=4 88 B16R1.4616 NCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000182051_100000761251 [0,0,1,0,0,0|3,0,0]=4 89 B16R1.4616 O=C(CCCCCF)c1ccc(c(c1)O)O 1458a_100000212155_100000729378 [0,0,1,0,0,0|1,0,2]=4 90 B16R1.4616 O=C(CCCCCO)c1ccc(c(c1)O)O 1458a_100000212155_100000746330 [0,0,1,0,0,0|1,0,2]=4 91 B16R1.4616 O[C@H](CNCCCF)c1ccc(c(c1)F)F 2230a_100015189416_100000761251 [0,0,1,0,0,0|3,0,0]=4 92 B16R1.4616 O[C@H](CNCCCF)c1ccc(c(c1)F)F 34a_100015189416_100000761251 [0,0,1,0,0,0|3,0,0]=4 93 B16R1.4616 Oc1ccc(cc1O)C(O)CNCCCF 34a_100000106456_100011934791 [0,0,1,0,0,0|1,0,0]=2 94 B16R1.7518 CCCCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210211 [0,0,1,0,0,0|1,0,1]=3 95 B16R1.7518 CCCCC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200011215066 [0,0,1,0,0,0|1,0,2]=4 96 B16R1.7518 CCCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100020643023_200000032065 [0,0,1,0,0,0|1,0,1]=3 97 B16R1.7518 COCCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000233755 [0,0,1,0,0,0|2,0,1]=4 98 B16R1.7518 CSCCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000751147 [0,0,1,0,0,0|2,0,1]=4 99 B16R1.7518 O=C(CCCF)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100011934791 [0,0,1,0,0,0|2,0,1]=4 100 B16R1.7518 O=C(CCCO)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100011215043 [0,0,1,0,0,0|2,0,1]=4 101 B16R1.7518 O=C(NCCF)C(O)c1ccc(c(c1)O)O 240690a_100000724931_200000032065 [0,0,1,0,0,0|2,0,1]=4 102 B16R1.13303 CCCC(CC)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011219200 [0,0,1,0,0,0|1,0,2]=4 103 B16R2.138 Cc1cc(ccc1O)C(=O)C2CCCC2 1458a_100000685612_100000179811 [0,0,0,0,1,0|1,0,2]=4 104 B16R2.138 Cc1ccc(cc1O)C(=O)C2CCCC2 1458a_100000233767_100000179811 [0,0,0,0,1,0|1,0,2]=4 105 B16R2.138 O=C(c1ccc(c(c1)Br)O)C2CCCC2 1458a_100000189672_100000179811 [0,0,0,0,1,0|1,0,2]=4 106 B16R2.138 O=C(c1ccc(c(c1)Cl)O)C2CCCC2 1458a_100000212196_100000179811 [0,0,0,0,1,0|1,0,2]=4 107 B16R2.138 O=C(c1ccc(c(c1)F)O)C2CCCC2 1458a_100000185466_100000179811 [0,0,0,0,1,0|1,0,2]=4 108 B16R2.138 O=C(c1ccc(c(c1)I)O)C2CCCC2 1458a_100000037485_100000179811 [0,0,0,0,1,0|1,0,2]=4 109 B16R2.138 O=C(c1ccc(c(c1)O)Br)C2CCCC2 1458a_100000689001_100000179811 [0,0,0,0,1,0|1,0,2]=4 110 B16R2.138 O=C(c1ccc(c(c1)O)Cl)C2CCCC2 1458a_100011933997_100000179811 [0,0,0,0,1,0|1,0,2]=4 111 B16R2.138 O=C(c1ccc(c(c1)O)F)C2CCCC2 1458a_100000035894_100000179811 [0,0,0,0,1,0|1,0,2]=4 112 B16R2.138 O=C(c1ccc(c(c1)O)I)C2CCCC2 1458a_100000239334_100000179811 [0,0,0,0,1,0|1,0,2]=4 113 B16R2.138 O=C(c1ccc(c(c1)O)O)C2CCCC2 1458a_100000212155_100000179811 [0,0,0,0,1,0|0,0,2]=3 114 B16R2.138 O=C(c1ccc(c(c1)O)O)C2CCOC2 1458a_100000212155_100000690089 [0,0,0,0,1,0|1,0,2]=4 115 B18R2.249 O=C(Cc1ccc(c(c1)O)O)C2CCCCC2 1458a_100000031429_100000210327 [0,0,0,0,0,1|1,0,2]=4 116 B18R2.249 O=C(Nc1ccc(c(c1)O)O)C2CCCCC2 22a_100102946323_100000210647 [0,0,0,0,0,1|1,0,2]=4 117 B18R2.249 O=C(Nc1ccc(c(c1)O)O)C2CCCCC2 527a_100102946323_100000210647 [0,0,0,0,0,1|1,0,2]=4 118 B18R2.249 O=C(Nc1ccc(c(c1)O)O)C2CCCCO2 22a_100102946323_100000748299 [0,0,0,0,0,1|1,0,2]=4 119 B18R2.249 O=C(Nc1ccc(c(c1)O)O)C2CCCCO2 527a_100102946323_100000748299 [0,0,0,0,0,1|1,0,2]=4 120 B18R2.276 CC(NC1CCCCC1)c2ccc(c(c2)Br)O 269862a_100000182618_100011772453 [0,0,0,0,0,1|3,0,0]=4 121 B18R2.276 CC(NC1CCCCC1)c2ccc(c(c2)Cl)O 269862a_100000182618_100000188625 [0,0,0,0,0,1|3,0,0]=4 122 B18R2.276 CC(NC1CCCCC1)c2ccc(c(c2)F)O 269862a_100000182618_100000751691 [0,0,0,0,0,1|3,0,0]=4 123 B18R2.276 CC(NC1CCCCC1)c2ccc(c(c2)O)F 269862a_100000182618_100000117923 [0,0,0,0,0,1|3,0,0]=4 124 B18R2.276 Cc1cc(ccc1O)C(C)NC2CCCCC2 269862a_100000182618_100000188726 [0,0,0,0,0,1|3,0,0]=4 125 B18R2.276 Cc1ccc(cc1O)C(C)NC2CCCCC2 269862a_100000182618_100000084092 [0,0,0,0,0,1|3,0,0]=4 126 B18R2.276 O=C(CC1CCCCC1)c2ccc(c(c2)O)O 1458a_100000212155_100000211423 [0,0,0,0,0,1|1,0,2]=4 127 B18R2.276 O=C(CC1CCCCO1)c2ccc(c(c2)O)O 1458a_100000212155_100000211543 [0,0,0,0,0,1|1,0,2]=4 128 B18R2.94408 O=C(c1ccc(c(c1)O)O)C2CCCCCC2 1458a_100000212155_100011217769 [0,0,0,0,0,1|1,0,2]=4 129 B15R1.30 C#CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000688953 [1,0,1,0,0,0|0,0,2]=4 130 B15R1.30 C/C=C/CNCC(O)c1ccc(cc1)O 34a_100000067596_100102629194 [1,0,1,0,0,0|0,0,2]=4 131 B15R1.30 C=CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000754431 [1,0,1,0,0,0|0,0,2]=4 132 B15R1.30 CC#CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000748600 [1,0,1,0,0,0|0,0,2]=4 133 B15R1.30 CC(CNCCCF)c1ccc(cc1)O 34a_200015188644_100011934791 [1,0,1,0,0,0|2,0,0]=4 134 B15R1.30 CC(CNCCCO)c1ccc(cc1)O 34a_200015188644_100000230001 [1,0,1,0,0,0|2,0,0]=4 135 B15R1.30 CC=CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000070051 [1,0,1,0,0,0|0,0,2]=4 136 B15R1.30 CCCCNCC(=O)c1ccc(cc1)O 7a_106832991798_100000018856 [1,0,1,0,0,0|0,0,2]=4 137 B15R1.30 CCCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210210 [1,0,1,0,0,0|1,0,0]=3 138 B15R1.30 CCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210211 [1,0,1,0,0,0|1,0,0]=3 139 B15R1.30 CCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210210 [1,0,1,0,0,0|1,0,0]=3 140 B15R1.30 CCCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210211 [1,0,1,0,0,0|1,0,0]=3 141 B15R1.30 CCCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210210 [1,0,1,0,0,0|1,0,0]=3 142 B15R1.30 CCCCNCC(O)c1ccc(cc1)Cl 2230a_100000102301_200011996143 [1,0,1,0,0,0|1,0,0]=3 143 B15R1.30 CCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210211 [1,0,1,0,0,0|1,0,0]=3 144 B15R1.30 CCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210210 [1,0,1,0,0,0|1,0,0]=3 145 B15R1.30 CCCCNCC(O)c1ccc(cc1)Cl 7a_106832991798_200011996143 [1,0,1,0,0,0|1,0,0]=3 146 B15R1.30 CCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210210 [1,0,1,0,0,0|0,0,0]=2 147 B15R1.30 CCCCNC[C@H](O)c1ccc(cc1)F 2230a_100000102301_100000720402 [1,0,1,0,0,0|1,0,0]=3 148 B15R1.30 CCCCNC[C@H](O)c1ccc(cc1)F 7a_106832991798_100000720402 [1,0,1,0,0,0|1,0,0]=3 149 B15R1.30 CCCCOCC(O)c1ccc(cc1)Cl 34a_100000210227_200011996143 [1,0,1,0,0,0|2,0,0]=4 150 B15R1.30 CCCCOCC(O)c1ccc(cc1)Cl 7a_100000210227_200011996143 [1,0,1,0,0,0|2,0,0]=4 151 B15R1.30 CCCCOC[C@H](O)c1ccc(cc1)F 34a_100000210227_100000720402 [1,0,1,0,0,0|2,0,0]=4 152 B15R1.30 CCCCOC[C@H](O)c1ccc(cc1)F 7a_100000210227_100000720402 [1,0,1,0,0,0|2,0,0]=4 153 B15R1.30 CCCCSCC(O)c1ccc(cc1)Cl 62a_100000210211_200011996143 [1,0,1,0,0,0|2,0,0]=4 154 B15R1.30 CCCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210210 [1,0,1,0,0,0|2,0,0]=4 155 B15R1.30 CCCCSC[C@H](O)c1ccc(cc1)F 62a_100000210211_100000720402 [1,0,1,0,0,0|2,0,0]=4 156 B15R1.30 CCCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210210 [1,0,1,0,0,0|2,0,0]=4 157 B15R1.30 COCCNCC(C)c1ccc(cc1)O 34a_200015188644_100011201679 [1,0,1,0,0,0|2,0,0]=4 158 B15R1.30 COCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100011201679 [1,0,1,0,0,0|2,0,0]=4 159 B15R1.30 COCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100011201679 [1,0,1,0,0,0|2,0,0]=4 160 B15R1.30 COCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100011201679 [1,0,1,0,0,0|2,0,0]=4 161 B15R1.30 COCCNCC(O)c1ccc(cc1)C 34a_200020610344_100011201679 [1,0,1,0,0,0|2,0,0]=4 162 B15R1.30 COCCNCC(O)c1ccc(cc1)Cl 2230a_100000209980_200011996143 [1,0,1,0,0,0|2,0,0]=4 163 B15R1.30 COCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100011201679 [1,0,1,0,0,0|2,0,0]=4 164 B15R1.30 COCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100011201679 [1,0,1,0,0,0|2,0,0]=4 165 B15R1.30 COCCNCC(O)c1ccc(cc1)O 34a_100000067596_100011201679 [1,0,1,0,0,0|1,0,0]=3 166 B15R1.30 COCCNC[C@H](O)c1ccc(cc1)F 2230a_100000209980_100000720402 [1,0,1,0,0,0|2,0,0]=4 167 B15R1.30 CSCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000212216 [1,0,1,0,0,0|2,0,0]=4 168 B15R1.30 CSCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000751147 [1,0,1,0,0,0|2,0,0]=4 169 B15R1.30 CSCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000212216 [1,0,1,0,0,0|2,0,0]=4 170 B15R1.30 CSCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000751147 [1,0,1,0,0,0|2,0,0]=4 171 B15R1.30 CSCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000212216 [1,0,1,0,0,0|2,0,0]=4 172 B15R1.30 CSCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000751147 [1,0,1,0,0,0|2,0,0]=4 173 B15R1.30 CSCCNCC(O)c1ccc(cc1)Cl 2230a_100020590264_200011996143 [1,0,1,0,0,0|2,0,0]=4 174 B15R1.30 CSCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000212216 [1,0,1,0,0,0|2,0,0]=4 175 B15R1.30 CSCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000212216 [1,0,1,0,0,0|1,0,0]=3 176 B15R1.30 CSCCNC[C@H](O)c1ccc(cc1)F 2230a_100020590264_100000720402 [1,0,1,0,0,0|2,0,0]=4 177 B15R1.30 Cc1ccc(cc1)C(O)CNCCCF 2230a_200020610344_100011934791 [1,0,1,0,0,0|2,0,0]=4 178 B15R1.30 Cc1ccc(cc1)C(O)CNCCCF 34a_200020610344_100011934791 [1,0,1,0,0,0|2,0,0]=4 179 B15R1.30 Cc1ccc(cc1)C(O)CNCCCO 2230a_200020610344_100000230001 [1,0,1,0,0,0|2,0,0]=4 180 B15R1.30 Cc1ccc(cc1)C(O)CNCCCO 34a_200020610344_100000230001 [1,0,1,0,0,0|2,0,0]=4 181 B15R1.30 NCCCOCC(O)c1ccc(cc1)Cl 34a_100000182051_200011996143 [1,0,1,0,0,0|2,0,0]=4 182 B15R1.30 NCCCOC[C@H](O)c1ccc(cc1)F 34a_100000182051_100000720402 [1,0,1,0,0,0|2,0,0]=4 183 B15R1.30 OC(CNCCCF)c1ccc(cc1)Br 2230a_100020626992_100011934791 [1,0,1,0,0,0|2,0,0]=4 184 B15R1.30 OC(CNCCCF)c1ccc(cc1)Br 34a_100020626992_100011934791 [1,0,1,0,0,0|2,0,0]=4 185 B15R1.30 OC(CNCCCF)c1ccc(cc1)Cl 2230a_100000736658_100011934791 [1,0,1,0,0,0|2,0,0]=4 186 B15R1.30 OC(CNCCCF)c1ccc(cc1)Cl 2230a_100015189416_200011996143 [1,0,1,0,0,0|2,0,0]=4 187 B15R1.30 OC(CNCCCF)c1ccc(cc1)Cl 34a_100000736658_100011934791 [1,0,1,0,0,0|2,0,0]=4 188 B15R1.30 OC(CNCCCF)c1ccc(cc1)Cl 34a_100015189416_200011996143 [1,0,1,0,0,0|2,0,0]=4 189 B15R1.30 OCCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000230001 [1,0,1,0,0,0|2,0,0]=4 190 B15R1.30 OCCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000230001 [1,0,1,0,0,0|2,0,0]=4 191 B15R1.30 OCCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000230001 [1,0,1,0,0,0|2,0,0]=4 192 B15R1.30 OCCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000230001 [1,0,1,0,0,0|2,0,0]=4 193 B15R1.30 OCCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000230001 [1,0,1,0,0,0|1,0,0]=3 194 B15R1.30 O[C@@H](CNCCCF)c1ccc(cc1)F 2230a_100015189416_100000720402 [1,0,1,0,0,0|2,0,0]=4 195 B15R1.30 O[C@@H](CNCCCF)c1ccc(cc1)F 34a_100015189416_100000720402 [1,0,1,0,0,0|2,0,0]=4 196 B15R1.30 Oc1ccc(cc1)C(O)CNCCCF 34a_100000067596_100011934791 [1,0,1,0,0,0|1,0,0]=3 197 B15R1.31 C#CCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000688953 [1,0,1,0,0,0|0,0,2]=4 198 B15R1.31 C#CCCNCC(O)c1cccc(c1)O 34a_100020657549_100000688953 [1,0,1,0,0,0|0,0,2]=4 199 B15R1.31 C/C=C/CNCC(O)c1cccc(c1)O 34a_100020657549_100102629194 [1,0,1,0,0,0|0,0,2]=4 200 B15R1.31 C=CCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000754431 [1,0,1,0,0,0|0,0,2]=4 201 B15R1.31 C=CCCNCC(O)c1cccc(c1)O 34a_100020657549_100000754431 [1,0,1,0,0,0|0,0,2]=4 202 B15R1.31 CC#CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000748600 [1,0,1,0,0,0|0,0,2]=4 203 B15R1.31 CC#CCNCC(O)c1cccc(c1)O 34a_100020657549_100000748600 [1,0,1,0,0,0|0,0,2]=4 204 B15R1.31 CC=CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000070051 [1,0,1,0,0,0|0,0,2]=4 205 B15R1.31 CC=CCNCC(O)c1cccc(c1)O 34a_100020657549_100000070051 [1,0,1,0,0,0|0,0,2]=4 206 B15R1.31 CCCCNCC(=O)c1cccc(c1)O 7a_106832991798_100009813753 [1,0,1,0,0,0|0,0,2]=4 207 B15R1.31 CCCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210211 [1,0,1,0,0,0|0,0,0]=2 208 B15R1.31 CCCCNCC(O)c1cccc(c1)O 34a_100020657549_100000210210 [1,0,1,0,0,0|0,0,0]=2 209 B15R1.31 COCCNCC(O)c1cccc(c1)O 2230a_100020657549_100011201679 [1,0,1,0,0,0|1,0,0]=3 210 B15R1.31 COCCNCC(O)c1cccc(c1)O 34a_100020657549_100011201679 [1,0,1,0,0,0|1,0,0]=3 211 B15R1.31 CSCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000751147 [1,0,1,0,0,0|1,0,0]=3 212 B15R1.31 CSCCNCC(O)c1cccc(c1)O 34a_100020657549_100000212216 [1,0,1,0,0,0|1,0,0]=3 213 B15R1.31 N#CCCNCC(O)c1cccc(c1)O 2230a_100020657549_100011215226 [1,0,1,0,0,0|1,0,1]=4 214 B15R1.31 OCCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000230001 [1,0,1,0,0,0|1,0,0]=3 215 B15R1.31 OCCCNCC(O)c1cccc(c1)O 34a_100020657549_100000230001 [1,0,1,0,0,0|1,0,0]=3 216 B15R1.31 Oc1cccc(c1)C(O)CNCCCF 2230a_100020657549_100011934791 [1,0,1,0,0,0|1,0,0]=3 217 B15R1.31 Oc1cccc(c1)C(O)CNCCCF 34a_100020657549_100011934791 [1,0,1,0,0,0|1,0,0]=3 218 B15R1.1404 C#CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000184674 [1,0,1,0,0,0|0,0,2]=4 219 B15R1.1404 C=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100015514636 [1,0,1,0,0,0|0,0,2]=4 220 B15R1.1404 CCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210326 [1,0,1,0,0,0|0,0,2]=4 221 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Br)O 269862a_100000102301_100011772453 [1,0,1,0,0,0|2,0,0]=4 222 B15R1.1404 CCCCNC(C)c1ccc(c(c1)C)O 269862a_100000102301_100000188726 [1,0,1,0,0,0|2,0,0]=4 223 B15R1.1404 CCCCNC(C)c1ccc(c(c1)Cl)O 269862a_100000102301_100000188625 [1,0,1,0,0,0|2,0,0]=4 224 B15R1.1404 CCCCNC(C)c1ccc(c(c1)F)O 269862a_100000102301_100000751691 [1,0,1,0,0,0|2,0,0]=4 225 B15R1.1404 CCCCNC(C)c1ccc(c(c1)O)C 269862a_100000102301_100000084092 [1,0,1,0,0,0|2,0,0]=4 226 B15R1.1404 CCCCNC(C)c1ccc(c(c1)O)F 269862a_100000102301_100000117923 [1,0,1,0,0,0|2,0,0]=4 227 B15R1.1404 CCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210303 [1,0,1,0,0,0|0,0,0]=2 228 B15R1.1404 CSCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011218213 [1,0,1,0,0,0|1,0,0]=3 229 B15R1.1404 O=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200009817547 [1,0,1,0,0,0|1,0,1]=4 230 B15R1.1404 Oc1ccc(cc1O)C(O)CNCCF 34a_100000106456_100011217306 [1,0,1,0,0,0|1,0,0]=3 231 B15R1.12032 C#CCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000688953 [1,0,1,0,0,0|0,0,2]=4 232 B15R1.12032 C/C=C/CNCCc1ccc(c(c1)O)O 34a_100000210387_100102629194 [1,0,1,0,0,0|0,0,2]=4 233 B15R1.12032 C=CCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000754431 [1,0,1,0,0,0|0,0,2]=4 234 B15R1.12032 CC#CCNCCc1ccc(c(c1)O)O 34a_100000210387_100000748600 [1,0,1,0,0,0|0,0,2]=4 235 B15R1.12032 CC=CCNCCc1ccc(c(c1)O)O 34a_100000210387_100000070051 [1,0,1,0,0,0|0,0,2]=4 236 B15R1.12032 CCCCCCNc1ccc(c(c1)O)O 34a_100102946323_100000210314 [1,0,1,0,0,0|2,0,0]=4 237 B15R1.12032 CCCCCCSc1ccc(c(c1)O)O 62a_100000210314_100009813601 [1,0,1,0,0,0|2,0,0]=4 238 B15R1.12032 CCCCCNCc1ccc(c(c1)O)O 34a_100000010075_100000718602 [1,0,1,0,0,0|2,0,0]=4 239 B15R1.12032 CCCCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000210211 [1,0,1,0,0,0|2,0,0]=4 240 B15R1.12032 CCCCNCCc1ccc(c(c1)C)C 34a_100020591374_100000210210 [1,0,1,0,0,0|2,0,0]=4 241 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)Cl 2230a_100000102301_100011713676 [1,0,1,0,0,0|2,0,0]=4 242 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210211 [1,0,1,0,0,0|2,0,0]=4 243 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210210 [1,0,1,0,0,0|2,0,0]=4 244 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)Cl 7a_106832991798_100011713676 [1,0,1,0,0,0|2,0,0]=4 245 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)F 2230a_100000102301_100012361305 [1,0,1,0,0,0|2,0,0]=4 246 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000210211 [1,0,1,0,0,0|2,0,0]=4 247 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210210 [1,0,1,0,0,0|2,0,0]=4 248 B15R1.12032 CCCCNCCc1ccc(c(c1)Cl)F 7a_106832991798_100012361305 [1,0,1,0,0,0|2,0,0]=4 249 B15R1.12032 CCCCNCCc1ccc(c(c1)F)F 2230a_100000102301_100000690553 [1,0,1,0,0,0|2,0,0]=4 250 B15R1.12032 CCCCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000210211 [1,0,1,0,0,0|2,0,0]=4 251 B15R1.12032 CCCCNCCc1ccc(c(c1)F)F 34a_200000706328_100000210210 [1,0,1,0,0,0|2,0,0]=4 252 B15R1.12032 CCCCNCCc1ccc(c(c1)F)F 7a_106832991798_100000690553 [1,0,1,0,0,0|2,0,0]=4 253 B15R1.12032 CCCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000210210 [1,0,1,0,0,0|0,0,0]=2 254 B15R1.12032 CCCCNCCc1ccc(c(c1)O)O 7a_106832991798_200010393615 [1,0,1,0,0,0|0,0,0]=2 255 B15R1.12032 CCCCNN=Cc1ccc(c(c1)O)O 4a_100025702795_100000184535 [1,0,1,0,0,0|1,0,1]=4 256 B15R1.12032 CCCCOCCc1ccc(c(c1)O)O 7a_100000210227_200010393615 [1,0,1,0,0,0|1,0,0]=3 257 B15R1.12032 CCCCOCNc1ccc(c(c1)O)O 34a_100102946323_100011995733 [1,0,1,0,0,0|2,0,0]=4 258 B15R1.12032 CCCCOCSc1ccc(c(c1)O)O 62a_100011995733_100009813601 [1,0,1,0,0,0|2,0,0]=4 259 B15R1.12032 CCCCSCCc1ccc(c(c1)O)O 62a_100000210211_200010393615 [1,0,1,0,0,0|1,0,0]=3 260 B15R1.12032 CCOCSCCc1ccc(c(c1)O)O 62a_100000739092_200010393615 [1,0,1,0,0,0|2,0,0]=4 261 B15R1.12032 COCCNCCc1ccc(c(c1)O)O 34a_100000210387_100011201679 [1,0,1,0,0,0|1,0,0]=3 262 B15R1.12032 COCCSCCc1ccc(c(c1)O)O 62a_100000233755_200010393615 [1,0,1,0,0,0|2,0,0]=4 263 B15R1.12032 CSCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000212216 [1,0,1,0,0,0|1,0,0]=3 264 B15R1.12032 CSCCOCCc1ccc(c(c1)O)O 7a_100000230434_200010393615 [1,0,1,0,0,0|2,0,0]=4 265 B15R1.12032 CSCCSCCc1ccc(c(c1)O)O 62a_100000212216_200010393615 [1,0,1,0,0,0|2,0,0]=4 266 B15R1.12032 OCCCCCNc1ccc(c(c1)O)O 34a_100102946323_100000746330 [1,0,1,0,0,0|2,0,0]=4 267 B15R1.12032 OCCCCCSc1ccc(c(c1)O)O 62a_100000746330_100009813601 [1,0,1,0,0,0|2,0,0]=4 268 B15R1.12032 OCCCCNCc1ccc(c(c1)O)O 34a_100000010075_100011216708 [1,0,1,0,0,0|2,0,0]=4 269 B15R1.12032 OCCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000230001 [1,0,1,0,0,0|1,0,0]=3 270 B15R1.12032 OCCCSCCc1ccc(c(c1)O)O 62a_100011215043_200010393615 [1,0,1,0,0,0|2,0,0]=4 271 B15R1.12032 Oc1ccc(cc1O)CCNCCCF 34a_100000210387_100011934791 [1,0,1,0,0,0|1,0,0]=3 272 B15R1.12032 Oc1ccc(cc1O)CCSCCCF 62a_100011934791_200010393615 [1,0,1,0,0,0|2,0,0]=4 273 B15R1.12032 Oc1ccc(cc1O)CNCCCCF 34a_100000010075_100000729493 [1,0,1,0,0,0|2,0,0]=4 274 B15R1.12032 Oc1ccc(cc1O)NCCCCCF 34a_100102946323_100000729378 [1,0,1,0,0,0|2,0,0]=4 275 B15R1.12032 Oc1ccc(cc1O)SCCCCCF 62a_100000729378_100009813601 [1,0,1,0,0,0|2,0,0]=4 276 B15R1.135 CCCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210211 [1,0,1,0,0,0|1,0,1]=4 277 B15R1.135 CCCNC(=O)C(O)c1ccc(cc1)O 240690a_100020643023_100011215213 [1,0,1,0,0,0|1,0,1]=4 278 B15R1.135 CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000210303 [1,0,1,0,0,0|1,0,0]=3 279 B15R1.135 CCCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000210303 [1,0,1,0,0,0|1,0,0]=3 280 B15R1.135 COCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000766300 [1,0,1,0,0,0|2,0,0]=4 281 B15R1.135 CSCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011218213 [1,0,1,0,0,0|2,0,0]=4 282 B15R1.135 CSCN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011218213 [1,0,1,0,0,0|2,0,0]=4 283 B15R1.135 C[C@@H](NCCF)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100011217306 [1,0,1,0,0,0|2,0,0]=4 284 B15R1.135 C[C@@H](NCCF)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100011217306 [1,0,1,0,0,0|2,0,0]=4 285 B15R1.135 C[C@@H](NCCO)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_100000211926 [1,0,1,0,0,0|2,0,0]=4 286 B15R1.135 C[C@@H](NCCO)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_100000211926 [1,0,1,0,0,0|2,0,0]=4 287 B15R1.3908 CCCCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210211 [1,0,1,0,0,0|1,0,1]=4 288 B15R1.3908 CCCCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_200011215066 [1,0,1,0,0,0|2,0,0]=4 289 B15R1.3908 CCCCC(C)Sc1ccc(c(c1)O)O 62a_200011215066_100009813601 [1,0,1,0,0,0|2,0,0]=4 290 B15R1.3908 CCCNC(=O)Cc1ccc(c(c1)O)O 527a_100020643023_100000031429 [1,0,1,0,0,0|1,0,1]=4 291 B15R1.3908 CCCNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_100020643023_100011586667 [1,0,1,0,0,0|2,0,0]=4 292 B15R1.3956 CCCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210303 [1,0,1,0,0,0|1,0,1]=4 293 B15R1.3956 CCCC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000766640 [1,0,1,0,0,0|0,0,2]=4 294 B15R1.3956 CCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100015525214_200000032065 [1,0,1,0,0,0|1,0,1]=4 295 B15R1.4404 CCCC(CC)Sc1ccc(c(c1)O)O 62a_100011219200_100009813601 [1,0,1,0,0,0|2,0,0]=4 296 B15R1.4475 CCC(CC)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210505 [1,0,1,0,0,0|0,0,2]=4 297 B15R2.29 Oc1ccc(cc1)CN2CCCCC2 271570a_203496583355_100015186551 [2,0,0,0,0,0|2,0,0]=4 298 B15R2.29 Oc1ccc(cc1)NC2CCCCC2 34a_100000185829_100000210327 [2,0,0,0,0,0|2,0,0]=4 299 B15R2.29 Oc1ccc(cc1)OC2CCCCC2 271570a_203496583355_200011235866 [2,0,0,0,0,0|2,0,0]=4 300 B15R2.29 Oc1ccc(cc1)OC2CCCCO2 271570a_203496583355_100009813393 [2,0,0,0,0,0|2,0,0]=4 301 B15R2.29 Oc1ccc(cc1)SC2CCCCC2 62a_100000210327_100000185759 [2,0,0,0,0,0|2,0,0]=4 302 B15R2.31 Oc1cccc(c1)CN2CCCCC2 271570a_203496583355_100020589292 [2,0,0,0,0,0|2,0,0]=4 303 B15R2.31 Oc1cccc(c1)NC2CCCCC2 34a_100000210217_100000210327 [2,0,0,0,0,0|2,0,0]=4 304 B15R2.31 Oc1cccc(c1)OC2CCCCC2 271570a_203496583355_200000701403 [2,0,0,0,0,0|2,0,0]=4 305 B15R2.31 Oc1cccc(c1)OC2CCCCO2 271570a_203496583355_200009827802 [2,0,0,0,0,0|2,0,0]=4 306 B15R2.31 Oc1cccc(c1)SC2CCCCC2 62a_100000210327_100000211634 [2,0,0,0,0,0|2,0,0]=4 307 B17R1.1146 C=C(C)CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000730704 [0,1,1,0,0,0|0,0,1]=3 308 B17R1.1146 CC(=CCNCC(O)c1ccc(c(c1)O)O)C 34a_100000106456_100000761012 [0,1,1,0,0,0|0,0,2]=4 309 B17R1.1146 CC(=O)OCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009813279 [0,1,1,0,0,0|1,0,1]=4 310 B17R1.1146 CC(C)CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210312 [0,1,1,0,0,0|0,0,0]=2 311 B17R1.1146 CC(C)OCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000709892 [0,1,1,0,0,0|1,0,0]=3 312 B17R1.1146 CC(O)CCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_200000755665_100000761251 [0,1,1,0,0,0|2,0,0]=4 313 B17R1.5109 CCCCNCC(=O)c1ccc(c(c1)CO)O 7a_106832991798_100010262812 [0,1,1,0,0,0|0,0,2]=4 314 B17R1.5109 CCCCNCC(=O)c1ccc(c(c1)OC)O 7a_106832991798_100010206313 [0,1,1,0,0,0|0,0,2]=4 315 B17R1.6636 CCCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000211992 [0,1,1,0,0,0|0,0,1]=3 316 B17R1.6636 CCCC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000766640 [0,1,1,0,0,0|0,0,0]=2 317 B17R1.6636 CCCC(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000741246_100000761251 [0,1,1,0,0,0|2,0,0]=4 318 B17R1.6636 COCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000210968 [0,1,1,0,0,0|1,0,1]=4 319 B17R1.6636 COCC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000765312 [0,1,1,0,0,0|1,0,0]=3 320 B17R1.6636 CSCC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100000184570 [0,1,1,0,0,0|1,0,1]=4 321 B17R1.6758 CCCCCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210326 [0,1,1,0,0,0|1,0,1]=4 322 B17R1.6758 CCCCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000102301_200000032065 [0,1,1,0,0,0|0,0,1]=3 323 B17R1.6758 COCCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000209980_200000032065 [0,1,1,0,0,0|1,0,1]=4 324 B17R1.6758 CSCCNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100020590264_200000032065 [0,1,1,0,0,0|1,0,1]=4 325 B17R1.6758 O=C(CCCCF)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000729493 [0,1,1,0,0,0|1,0,1]=4 326 B17R1.6758 O=C(CCCCO)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210776 [0,1,1,0,0,0|1,0,1]=4 327 B17R1.6758 O=C(NCCCF)C(O)c1ccc(c(c1)O)O 240690a_100015189416_200000032065 [0,1,1,0,0,0|1,0,1]=4 328 B17R1.8456 CCCCN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100000207549_100000183813 [0,1,1,0,0,0|0,0,2]=4 329 B17R1.8456 CCCCN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000207549_100000761251 [0,1,1,0,0,0|2,0,0]=4 330 B17R1.8456 CCCCN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000207549_100000761251 [0,1,1,0,0,0|2,0,0]=4 331 B17R1.9269 C#CCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000695029 [0,1,1,0,0,0|0,0,1]=3 332 B17R1.9269 C=CCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000757094 [0,1,1,0,0,0|0,0,1]=3 333 B17R1.9269 C=COCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000039644 [0,1,1,0,0,0|0,0,2]=4 334 B17R1.9269 CC/C=C\CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100103147603 [0,1,1,0,0,0|0,0,1]=3 335 B17R1.9269 CCC#CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009813939 [0,1,1,0,0,0|0,0,1]=3 336 B17R1.9269 CCCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000718602 [0,1,1,0,0,0|0,0,0]=2 337 B17R1.9269 CCCCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000209983_100000761251 [0,1,1,0,0,0|2,0,0]=4 338 B17R1.9269 CCOCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210147 [0,1,1,0,0,0|0,0,0]=2 339 B17R1.9269 CCOCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_102516460346_100000761251 [0,1,1,0,0,0|2,0,0]=4 340 B17R1.9269 CCOCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_102516460346_100000761251 [0,1,1,0,0,0|2,0,0]=4 341 B17R1.9269 CCSCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000757381 [0,1,1,0,0,0|0,0,0]=2 342 B17R1.9269 CCSCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000106463_100000761251 [0,1,1,0,0,0|2,0,0]=4 343 B17R1.9269 COCCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000740836 [0,1,1,0,0,0|0,0,0]=2 344 B17R1.9269 COCCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100150723488_100000761251 [0,1,1,0,0,0|2,0,0]=4 345 B17R1.9269 CSCCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000749238_100000761251 [0,1,1,0,0,0|2,0,0]=4 346 B17R1.9269 NCCCCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100000750430_100000761251 [0,1,1,0,0,0|2,0,0]=4 347 B17R1.9269 OCCCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100000750430_100000761251 [0,1,1,0,0,0|2,0,0]=4 348 B17R1.9269 OCCCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000750430_100000761251 [0,1,1,0,0,0|2,0,0]=4 349 B17R1.9269 Oc1ccc(cc1O)C(O)CNCCCCF 34a_100000106456_100000729493 [0,1,1,0,0,0|0,0,0]=2 350 B17R1.24361 CCC(C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000748023 [0,1,1,0,0,0|0,0,0]=2 351 B17R1.24361 CCC(C)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020588543_100000761251 [0,1,1,0,0,0|2,0,0]=4 352 B17R1.24361 CCC(O)CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100011218483_100000761251 [0,1,1,0,0,0|2,0,0]=4 353 B17R1.24361 CC[C@H](C)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100009816398 [0,1,1,0,0,0|0,0,0]=2 354 B17R1.24361 COC(=O)CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000747449 [0,1,1,0,0,0|1,0,1]=4 355 B17R1.1147 CC(C)CCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210312 [0,1,1,0,0,0|1,0,1]=4 356 B17R1.1147 CC(C)CNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000210953_200000032065 [0,1,1,0,0,0|1,0,1]=4 357 B17R1.1147 CC(O)CCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100012276601 [0,1,1,0,0,0|1,0,1]=4 358 B17R1.9156 CCCCC(=O)C(O)c1ccc(c(c1)OC)O 1458a_100000036414_100000210211 [0,1,1,0,0,0|1,0,1]=4 359 B17R1.9156 CCCNC(=O)C(O)c1ccc(c(c1)OC)O 240690a_100020643023_100000036414 [0,1,1,0,0,0|1,0,1]=4 360 B17R1.17872 CCCC(C)C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000766640 [0,1,1,0,0,0|1,0,1]=4 361 B17R1.17872 CCCN(C)C(=O)C(O)c1ccc(c(c1)O)O 240690a_100000747261_200000032065 [0,1,1,0,0,0|1,0,1]=4 362 B17R1.24228 CCC(C)CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000748023 [0,1,1,0,0,0|1,0,1]=4 363 B17R1.24228 CCC(C)NC(=O)C(O)c1ccc(c(c1)O)O 240690a_100000209981_200000032065 [0,1,1,0,0,0|1,0,1]=4 364 B17R1.24228 CCC(O)CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100011218378 [0,1,1,0,0,0|1,0,1]=4 365 B17R1.24228 CC[C@H](C)CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100009816398 [0,1,1,0,0,0|1,0,1]=4 366 B17R2.472 CC1CCC(CC1)Nc2ccc(c(c2)O)O 34a_100102946323_200011216234 [1,1,0,0,0,0|2,0,0]=4 367 B17R2.2418 COc1ccc(cc1O)NC2CCCCC2 34a_100000211920_100000210327 [1,1,0,0,0,0|2,0,0]=4 368 B17R2.2418 COc1ccc(cc1O)SC2CCCCC2 62a_100000210327_100009816560 [1,1,0,0,0,0|2,0,0]=4 369 B17R2.2418 OCc1ccc(cc1O)SC2CCCCC2 62a_100000071718_100000210327 [1,1,0,0,0,0|2,0,0]=4 370 B17R2.2418 OCc1ccc(cc1O)SC2CCCCC2 62a_100000210327_100000071718 [1,1,0,0,0,0|2,0,0]=4 371 B17R2.2492 COc1cc(ccc1O)NC2CCCCC2 34a_100000726020_100000210327 [1,1,0,0,0,0|2,0,0]=4 372 B17R2.2492 COc1cc(ccc1O)SC2CCCCC2 62a_100000210327_100000694246 [1,1,0,0,0,0|2,0,0]=4 373 B17R2.2492 OCc1cc(ccc1O)SC2CCCCC2 62a_100000184703_100000210327 [1,1,0,0,0,0|2,0,0]=4 374 B17R2.2492 OCc1cc(ccc1O)SC2CCCCC2 62a_100000210327_100000184703 [1,1,0,0,0,0|2,0,0]=4 375 B17R2.5115 O=C1CCCCC1Nc2ccc(c(c2)O)O 34a_100102946323_100000754470 [1,1,0,0,0,0|2,0,0]=4 376 B17R2.5115 O=C1CCCCC1Sc2ccc(c(c2)O)O 62a_100000204591_100009813601 [1,1,0,0,0,0|2,0,0]=4 377 B17R2.5115 Oc1ccc(cc1O)NC2CCCCC2F 34a_100102946323_100015423560 [1,1,0,0,0,0|2,0,0]=4 378 B17R2.5115 Oc1ccc(cc1O)NC2CCCCC2O 34a_100102946323_100000038908 [1,1,0,0,0,0|2,0,0]=4 379 B17R2.5115 Oc1ccc(cc1O)SC2CCCCC2F 62a_100015423560_100009813601 [1,1,0,0,0,0|2,0,0]=4 380 B17R2.5115 Oc1ccc(cc1O)SC2CCCCC2O 62a_100000038908_100009813601 [1,1,0,0,0,0|2,0,0]=4 381 B17R2.36760 Oc1cc(cc(c1O)F)SC2CCCCC2 62a_100000210327_100010114375 [1,1,0,0,0,0|2,0,0]=4 382 B17R2.36760 Oc1cc(cc(c1O)O)SC2CCCCC2 62a_100000210327_100010658518 [1,1,0,0,0,0|2,0,0]=4 383 B17R2.2439 COc1ccc(cc1O)C(=O)C2CCCC2 1458a_100000766810_100000179811 [0,1,0,0,1,0|0,0,2]=4 384 B17R2.2488 COc1cc(ccc1O)C(=O)C2CCCC2 1458a_100000687070_100000179811 [0,1,0,0,1,0|0,0,2]=4 385 B17R2.20341 O=C(c1ccc(c(c1Cl)O)O)C2CCCC2 1458a_100009910189_100000179811 [0,1,0,0,1,0|0,0,2]=4 386 B17R2.20341 O=C(c1ccc(c(c1O)O)O)C2CCCC2 1458a_100000037941_100000179811 [0,1,0,0,1,0|0,0,2]=4 387 B17R2.23784 O=C(c1cc(c(c(c1)Br)O)O)C2CCCC2 1458a_200009992764_100000179811 [0,1,0,0,1,0|0,0,2]=4 388 B17R2.23784 O=C(c1cc(c(c(c1)Cl)O)O)C2CCCC2 1458a_200000078382_100000179811 [0,1,0,0,1,0|0,0,2]=4 389 B17R2.23784 O=C(c1cc(c(c(c1)O)O)O)C2CCCC2 1458a_100000212154_100000179811 [0,1,0,0,1,0|0,0,2]=4 390 B19R2.50263 CN1CCCC[C@@H]1C(=O)Nc2ccc(c(c2)O)O 22a_100102946323_100000767060 [0,1,0,0,0,1|0,0,2]=4 391 B19R2.50263 CN1CCCC[C@@H]1C(=O)Nc2ccc(c(c2)O)O 527a_100102946323_100000767060 [0,1,0,0,0,1|0,0,2]=4 392 B19R2.2719 COc1ccc(cc1O)C(C)NC2CCCCC2 269862a_100000182618_100000732934 [0,1,0,0,0,1|2,0,0]=4 393 B19R2.50024 CN1CCCCC1CC(=O)c2ccc(c(c2)O)O 1458a_100000212155_100015185383 [0,1,0,0,0,1|0,0,2]=4 394 B19R2.94509 O=C1NCCCCC1C(=O)c2ccc(c(c2)O)O 1458a_100000212155_100000735217 [0,1,0,0,0,1|0,0,2]=4 395 B17R2.335 O=C(CN1CCCC1)c2ccc(c(c2)O)O 269982a_100000188435_100000183813 [0,0,1,1,0,0|0,0,2]=4 396 B17R2.335 O[C@H](CN1CCCC1)c2ccc(c(c2)F)F 2230a_100000188435_100000761251 [0,0,1,1,0,0|2,0,0]=4 397 B17R2.335 O[C@H](CN1CCCC1)c2ccc(c(c2)F)F 269982a_100000188435_100000761251 [0,0,1,1,0,0|2,0,0]=4 398 B17R2.506 CC1CCN1CC(=O)c2ccc(c(c2)O)O 269982a_100000755817_100000183813 [0,0,1,1,0,0|0,0,2]=4 399 B17R2.506 CC1CCN1C[C@@H](O)c2ccc(c(c2)F)F 269982a_100000755817_100000761251 [0,0,1,1,0,0|2,0,0]=4 400 B17R2.506 CC1CCN1C[C@@H](O)c2ccc(c(c2)F)F 34a_100000755817_100000761251 [0,0,1,1,0,0|2,0,0]=4 401 B17R2.57150 O[C@H](CNCC1CC1)c2ccc(c(c2)F)F 2230a_100000735609_100000761251 [0,0,1,1,0,0|2,0,0]=4 402 B17R2.57150 O[C@H](CNCC1CC1)c2ccc(c(c2)F)F 34a_100000735609_100000761251 [0,0,1,1,0,0|2,0,0]=4 403 B17R2.57150 Oc1ccc(cc1O)C(O)CNCC2CC2 34a_100000106456_100000742324 [0,0,1,1,0,0|0,0,0]=2 404 B17R2.57150 Oc1ccc(cc1O)C(O)CNCC2CO2 34a_100000106456_102125554688 [0,0,1,1,0,0|1,0,0]=3 405 B17R2.57151 O[C@H](CNC1CCC1)c2ccc(c(c2)F)F 2230a_100000749019_100000761251 [0,0,1,1,0,0|2,0,0]=4 406 B17R2.57151 O[C@H](CNC1CCC1)c2ccc(c(c2)F)F 34a_100000749019_100000761251 [0,0,1,1,0,0|2,0,0]=4 407 B17R2.57151 Oc1ccc(cc1O)C(O)CNC2CCC2 34a_100000106456_100000749161 [0,0,1,1,0,0|0,0,0]=2 408 B17R2.57151 Oc1ccc(cc1O)C(O)CNC2COC2 34a_100000106456_100009818527 [0,0,1,1,0,0|1,0,0]=3 409 B17R2.56718 O=C(CC1CC1)C(O)c2ccc(c(c2)O)O 1458a_200000032065_100000742324 [0,0,1,1,0,0|1,0,1]=4 410 B17R2.56718 O=C(NC1CC1)C(O)c2ccc(c(c2)O)O 240690a_100000212008_200000032065 [0,0,1,1,0,0|1,0,1]=4 411 B17R2.346534 O=C(C(O)c1ccc(c(c1)O)O)N2CCC2 240690a_100000754969_200000032065 [0,0,1,1,0,0|1,0,1]=4 412 B17R2.346534 O=C(C1CCC1)C(O)c2ccc(c(c2)O)O 1458a_200000032065_100000749161 [0,0,1,1,0,0|1,0,1]=4 413 B15R2.91 CC(c1ccc(cc1)O)N2CCCC2 271570a_203496583355_100015195789 [1,0,0,0,1,0|2,0,0]=4 414 B15R2.91 CN(c1ccc(cc1)O)C2CCCC2 269982a_100000182112_100000179811 [1,0,0,0,1,0|2,0,0]=4 415 B15R2.91 CN(c1ccc(cc1)O)C2CCCC2 34a_100000182112_100000179811 [1,0,0,0,1,0|2,0,0]=4 416 B15R2.91 O=C(c1ccc(cc1)O)C2CCCC2 1458a_100000212099_100000179811 [1,0,0,0,1,0|0,0,2]=4 417 B15R2.92 Cc1cc(ccc1O)NC2CCCC2 34a_100011218179_100000179811 [1,0,0,0,1,0|2,0,0]=4 418 B15R2.92 Cc1cc(ccc1O)NC2CCCC2 7a_100011218179_100000179811 [1,0,0,0,1,0|2,0,0]=4 419 B15R2.92 Cc1cc(ccc1O)SC2CCCC2 62a_100011217020_100000186361 [1,0,0,0,1,0|2,0,0]=4 420 B15R2.92 Cc1ccc(cc1O)NC2CCCC2 34a_100000759471_100000179811 [1,0,0,0,1,0|2,0,0]=4 421 B15R2.92 Cc1ccc(cc1O)NC2CCCC2 7a_100000759471_100000179811 [1,0,0,0,1,0|2,0,0]=4 422 B15R2.92 Cc1ccc(cc1O)SC2CCCC2 62a_100000685420_100000179811 [1,0,0,0,1,0|2,0,0]=4 423 B15R2.92 Cc1ccc(cc1O)SC2CCCC2 62a_100011217020_100000685420 [1,0,0,0,1,0|2,0,0]=4 424 B15R2.92 Nc1cc(ccc1O)SC2CCCC2 62a_100000752626_100000179811 [1,0,0,0,1,0|2,0,0]=4 425 B15R2.92 Nc1cc(ccc1O)SC2CCCC2 62a_100011217020_100000752626 [1,0,0,0,1,0|2,0,0]=4 426 B15R2.92 Nc1ccc(cc1O)SC2CCCC2 62a_100000739049_100000179811 [1,0,0,0,1,0|2,0,0]=4 427 B15R2.92 Nc1ccc(cc1O)SC2CCCC2 62a_100011217020_100000739049 [1,0,0,0,1,0|2,0,0]=4 428 B15R2.92 Oc1cc(ccc1Br)SC2CCCC2 62a_100011217020_100012356990 [1,0,0,0,1,0|2,0,0]=4 429 B15R2.92 Oc1cc(ccc1Br)SC2CCCC2 62a_100012356990_100000179811 [1,0,0,0,1,0|2,0,0]=4 430 B15R2.92 Oc1cc(ccc1Cl)NC2CCCC2 34a_100011934209_100000179811 [1,0,0,0,1,0|2,0,0]=4 431 B15R2.92 Oc1cc(ccc1Cl)SC2CCCC2 62a_100011217020_100011356854 [1,0,0,0,1,0|2,0,0]=4 432 B15R2.92 Oc1cc(ccc1Cl)SC2CCCC2 62a_100011356854_100000179811 [1,0,0,0,1,0|2,0,0]=4 433 B15R2.92 Oc1cc(ccc1F)CN2CCCC2 271570a_203496583355_200011191285 [1,0,0,0,1,0|2,0,0]=4 434 B15R2.92 Oc1cc(ccc1F)NC2CCCC2 34a_100012017398_100000179811 [1,0,0,0,1,0|2,0,0]=4 435 B15R2.92 Oc1cc(ccc1F)NC2CCCC2 7a_100012017398_100000179811 [1,0,0,0,1,0|2,0,0]=4 436 B15R2.92 Oc1cc(ccc1F)SC2CCCC2 62a_100000686035_100000179811 [1,0,0,0,1,0|2,0,0]=4 437 B15R2.92 Oc1cc(ccc1F)SC2CCCC2 62a_100011217020_100000686035 [1,0,0,0,1,0|2,0,0]=4 438 B15R2.92 Oc1ccc(cc1Br)NC2CCCC2 34a_100011534360_100000179811 [1,0,0,0,1,0|2,0,0]=4 439 B15R2.92 Oc1ccc(cc1Br)SC2CCCC2 62a_100011217020_100012361655 [1,0,0,0,1,0|2,0,0]=4 440 B15R2.92 Oc1ccc(cc1Br)SC2CCCC2 62a_100012361655_100000179811 [1,0,0,0,1,0|2,0,0]=4 441 B15R2.92 Oc1ccc(cc1Cl)NC2CCCC2 34a_100000744943_100000179811 [1,0,0,0,1,0|2,0,0]=4 442 B15R2.92 Oc1ccc(cc1Cl)SC2CCCC2 62a_100011217020_100012360047 [1,0,0,0,1,0|2,0,0]=4 443 B15R2.92 Oc1ccc(cc1Cl)SC2CCCC2 62a_100012360047_100000179811 [1,0,0,0,1,0|2,0,0]=4 444 B15R2.92 Oc1ccc(cc1F)NC2CCCC2 34a_100011220035_100000179811 [1,0,0,0,1,0|2,0,0]=4 445 B15R2.92 Oc1ccc(cc1F)NC2CCCC2 7a_100011220035_100000179811 [1,0,0,0,1,0|2,0,0]=4 446 B15R2.92 Oc1ccc(cc1F)SC2CCCC2 62a_100000185481_100000179811 [1,0,0,0,1,0|2,0,0]=4 447 B15R2.92 Oc1ccc(cc1F)SC2CCCC2 62a_100011217020_100000185481 [1,0,0,0,1,0|2,0,0]=4 448 B15R2.92 Oc1ccc(cc1O)C=C2CCCC2 271570a_100010378317_100009813601 [1,0,0,0,1,0|0,0,2]=4 449 B15R2.92 Oc1ccc(cc1O)NC2CCCC2 34a_100102946323_100000179811 [1,0,0,0,1,0|1,0,0]=3 450 B15R2.92 Oc1ccc(cc1O)NC2CCOC2 34a_100102946323_100000690089 [1,0,0,0,1,0|2,0,0]=4 451 B15R2.92 Oc1ccc(cc1O)SC2CCCC2 62a_100011217020_100009813601 [1,0,0,0,1,0|1,0,0]=3 452 B15R2.94 Oc1ccc(cc1O)C2=CCCCC2 271570a_100000062251_100009813601 [1,0,0,0,1,0|1,0,1]=4 453 B15R2.1108 CN(c1cccc(c1)O)C2CCCC2 2230a_100000756613_100000179811 [1,0,0,0,1,0|2,0,0]=4 454 B15R2.1108 CN(c1cccc(c1)O)C2CCCC2 269982a_100000756613_100000179811 [1,0,0,0,1,0|2,0,0]=4 455 B15R2.1108 CN(c1cccc(c1)O)C2CCCC2 34a_100000756613_100000179811 [1,0,0,0,1,0|2,0,0]=4 456 B15R2.1108 O=C(c1cccc(c1)O)C2CCCC2 1458a_100000183914_100000179811 [1,0,0,0,1,0|0,0,2]=4 457 B15R2.19038 O=C(c1ccc(c(c1)O)O)C2CCC2 1458a_100000212155_100000749161 [0,0,0,0,2,0|0,0,2]=4 458 B17R1.6513 CCCCCCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100011215978 [0,0,1,0,0,1|2,0,0]=4 459 B17R1.6513 CCCCCCC(C)Sc1ccc(c(c1)O)O 62a_100011215978_100009813601 [0,0,1,0,0,1|2,0,0]=4 460 B17R1.17255 CCCCC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100000210211 [0,0,1,0,0,1|1,0,1]=4 461 B17R2.192 C[C@H](NC1CCCCC1)c2ccc(cc2)O 270004a_100161106496_100000210434 [1,0,0,0,0,1|2,0,0]=4 462 B17R2.193 Cc1cc(ccc1O)NCC2CCCCC2 34a_100011218179_100000211423 [1,0,0,0,0,1|2,0,0]=4 463 B17R2.193 Cc1cc(ccc1O)NCC2CCCCC2 7a_100011218179_100000211423 [1,0,0,0,0,1|2,0,0]=4 464 B17R2.193 Cc1cc(ccc1O)NCC2CCCCO2 34a_100011218179_100000211543 [1,0,0,0,0,1|2,0,0]=4 465 B17R2.193 Cc1cc(ccc1O)NCC2CCCCO2 7a_100011218179_100000211543 [1,0,0,0,0,1|2,0,0]=4 466 B17R2.193 Cc1cc(ccc1O)SCC2CCCCC2 62a_100000211423_100000186361 [1,0,0,0,0,1|2,0,0]=4 467 B17R2.193 Cc1cc(ccc1O)SCC2CCCCO2 62a_100000211543_100000186361 [1,0,0,0,0,1|2,0,0]=4 468 B17R2.193 Cc1ccc(cc1O)NCC2CCCCC2 34a_100000759471_100000211423 [1,0,0,0,0,1|2,0,0]=4 469 B17R2.193 Cc1ccc(cc1O)NCC2CCCCC2 7a_100000759471_100000211423 [1,0,0,0,0,1|2,0,0]=4 470 B17R2.193 Cc1ccc(cc1O)NCC2CCCCO2 34a_100000759471_100000211543 [1,0,0,0,0,1|2,0,0]=4 471 B17R2.193 Cc1ccc(cc1O)NCC2CCCCO2 7a_100000759471_100000211543 [1,0,0,0,0,1|2,0,0]=4 472 B17R2.193 Cc1ccc(cc1O)SCC2CCCCC2 62a_100000211423_100000685420 [1,0,0,0,0,1|2,0,0]=4 473 B17R2.193 Cc1ccc(cc1O)SCC2CCCCC2 62a_100000685420_100000211423 [1,0,0,0,0,1|2,0,0]=4 474 B17R2.193 Cc1ccc(cc1O)SCC2CCCCO2 62a_100000211543_100000685420 [1,0,0,0,0,1|2,0,0]=4 475 B17R2.193 Cc1ccc(cc1O)SCC2CCCCO2 62a_100000685420_100000211543 [1,0,0,0,0,1|2,0,0]=4 476 B17R2.193 Nc1cc(ccc1O)SCC2CCCCC2 62a_100000211423_100000752626 [1,0,0,0,0,1|2,0,0]=4 477 B17R2.193 Nc1cc(ccc1O)SCC2CCCCC2 62a_100000752626_100000211423 [1,0,0,0,0,1|2,0,0]=4 478 B17R2.193 Nc1cc(ccc1O)SCC2CCCCO2 62a_100000211543_100000752626 [1,0,0,0,0,1|2,0,0]=4 479 B17R2.193 Nc1cc(ccc1O)SCC2CCCCO2 62a_100000752626_100000211543 [1,0,0,0,0,1|2,0,0]=4 480 B17R2.193 Nc1ccc(cc1O)SCC2CCCCC2 62a_100000211423_100000739049 [1,0,0,0,0,1|2,0,0]=4 481 B17R2.193 Nc1ccc(cc1O)SCC2CCCCC2 62a_100000739049_100000211423 [1,0,0,0,0,1|2,0,0]=4 482 B17R2.193 Nc1ccc(cc1O)SCC2CCCCO2 62a_100000211543_100000739049 [1,0,0,0,0,1|2,0,0]=4 483 B17R2.193 Nc1ccc(cc1O)SCC2CCCCO2 62a_100000739049_100000211543 [1,0,0,0,0,1|2,0,0]=4 484 B17R2.193 Oc1cc(ccc1Br)SCC2CCCCC2 62a_100000211423_100012356990 [1,0,0,0,0,1|2,0,0]=4 485 B17R2.193 Oc1cc(ccc1Br)SCC2CCCCC2 62a_100012356990_100000211423 [1,0,0,0,0,1|2,0,0]=4 486 B17R2.193 Oc1cc(ccc1Br)SCC2CCCCO2 62a_100000211543_100012356990 [1,0,0,0,0,1|2,0,0]=4 487 B17R2.193 Oc1cc(ccc1Br)SCC2CCCCO2 62a_100012356990_100000211543 [1,0,0,0,0,1|2,0,0]=4 488 B17R2.193 Oc1cc(ccc1Cl)CNC2CCCCC2 34a_100020636435_100000210327 [1,0,0,0,0,1|2,0,0]=4 489 B17R2.193 Oc1cc(ccc1Cl)NCC2CCCCC2 34a_100011934209_100000211423 [1,0,0,0,0,1|2,0,0]=4 490 B17R2.193 Oc1cc(ccc1Cl)NCC2CCCCO2 34a_100011934209_100000211543 [1,0,0,0,0,1|2,0,0]=4 491 B17R2.193 Oc1cc(ccc1Cl)SCC2CCCCC2 62a_100000211423_100011356854 [1,0,0,0,0,1|2,0,0]=4 492 B17R2.193 Oc1cc(ccc1Cl)SCC2CCCCC2 62a_100011356854_100000211423 [1,0,0,0,0,1|2,0,0]=4 493 B17R2.193 Oc1cc(ccc1Cl)SCC2CCCCO2 62a_100000211543_100011356854 [1,0,0,0,0,1|2,0,0]=4 494 B17R2.193 Oc1cc(ccc1Cl)SCC2CCCCO2 62a_100011356854_100000211543 [1,0,0,0,0,1|2,0,0]=4 495 B17R2.193 Oc1cc(ccc1F)CNC2CCCCC2 270004a_100160469508_100000210434 [1,0,0,0,0,1|2,0,0]=4 496 B17R2.193 Oc1cc(ccc1F)CNC2CCCCC2 34a_100160469508_100000210327 [1,0,0,0,0,1|2,0,0]=4 497 B17R2.193 Oc1cc(ccc1F)NCC2CCCCC2 34a_100012017398_100000211423 [1,0,0,0,0,1|2,0,0]=4 498 B17R2.193 Oc1cc(ccc1F)NCC2CCCCC2 7a_100012017398_100000211423 [1,0,0,0,0,1|2,0,0]=4 499 B17R2.193 Oc1cc(ccc1F)NCC2CCCCO2 34a_100012017398_100000211543 [1,0,0,0,0,1|2,0,0]=4 500 B17R2.193 Oc1cc(ccc1F)NCC2CCCCO2 7a_100012017398_100000211543 [1,0,0,0,0,1|2,0,0]=4 501 B17R2.193 Oc1cc(ccc1F)SCC2CCCCC2 62a_100000211423_100000686035 [1,0,0,0,0,1|2,0,0]=4 502 B17R2.193 Oc1cc(ccc1F)SCC2CCCCC2 62a_100000686035_100000211423 [1,0,0,0,0,1|2,0,0]=4 503 B17R2.193 Oc1cc(ccc1F)SCC2CCCCO2 62a_100000211543_100000686035 [1,0,0,0,0,1|2,0,0]=4 504 B17R2.193 Oc1cc(ccc1F)SCC2CCCCO2 62a_100000686035_100000211543 [1,0,0,0,0,1|2,0,0]=4 505 B17R2.193 Oc1ccc(cc1Br)NCC2CCCCC2 34a_100011534360_100000211423 [1,0,0,0,0,1|2,0,0]=4 506 B17R2.193 Oc1ccc(cc1Br)NCC2CCCCO2 34a_100011534360_100000211543 [1,0,0,0,0,1|2,0,0]=4 507 B17R2.193 Oc1ccc(cc1Br)SCC2CCCCC2 62a_100000211423_100012361655 [1,0,0,0,0,1|2,0,0]=4 508 B17R2.193 Oc1ccc(cc1Br)SCC2CCCCC2 62a_100012361655_100000211423 [1,0,0,0,0,1|2,0,0]=4 509 B17R2.193 Oc1ccc(cc1Br)SCC2CCCCO2 62a_100000211543_100012361655 [1,0,0,0,0,1|2,0,0]=4 510 B17R2.193 Oc1ccc(cc1Br)SCC2CCCCO2 62a_100012361655_100000211543 [1,0,0,0,0,1|2,0,0]=4 511 B17R2.193 Oc1ccc(cc1Cl)NCC2CCCCC2 34a_100000744943_100000211423 [1,0,0,0,0,1|2,0,0]=4 512 B17R2.193 Oc1ccc(cc1Cl)NCC2CCCCO2 34a_100000744943_100000211543 [1,0,0,0,0,1|2,0,0]=4 513 B17R2.193 Oc1ccc(cc1Cl)SCC2CCCCC2 62a_100000211423_100012360047 [1,0,0,0,0,1|2,0,0]=4 514 B17R2.193 Oc1ccc(cc1Cl)SCC2CCCCC2 62a_100012360047_100000211423 [1,0,0,0,0,1|2,0,0]=4 515 B17R2.193 Oc1ccc(cc1Cl)SCC2CCCCO2 62a_100000211543_100012360047 [1,0,0,0,0,1|2,0,0]=4 516 B17R2.193 Oc1ccc(cc1Cl)SCC2CCCCO2 62a_100012360047_100000211543 [1,0,0,0,0,1|2,0,0]=4 517 B17R2.193 Oc1ccc(cc1F)CNC2CCCCC2 270004a_100000758358_100000210434 [1,0,0,0,0,1|2,0,0]=4 518 B17R2.193 Oc1ccc(cc1F)CNC2CCCCC2 34a_100000758358_100000210327 [1,0,0,0,0,1|2,0,0]=4 519 B17R2.193 Oc1ccc(cc1F)NCC2CCCCC2 34a_100011220035_100000211423 [1,0,0,0,0,1|2,0,0]=4 520 B17R2.193 Oc1ccc(cc1F)NCC2CCCCC2 7a_100011220035_100000211423 [1,0,0,0,0,1|2,0,0]=4 521 B17R2.193 Oc1ccc(cc1F)NCC2CCCCO2 34a_100011220035_100000211543 [1,0,0,0,0,1|2,0,0]=4 522 B17R2.193 Oc1ccc(cc1F)NCC2CCCCO2 7a_100011220035_100000211543 [1,0,0,0,0,1|2,0,0]=4 523 B17R2.193 Oc1ccc(cc1F)SCC2CCCCC2 62a_100000185481_100000211423 [1,0,0,0,0,1|2,0,0]=4 524 B17R2.193 Oc1ccc(cc1F)SCC2CCCCC2 62a_100000211423_100000185481 [1,0,0,0,0,1|2,0,0]=4 525 B17R2.193 Oc1ccc(cc1F)SCC2CCCCO2 62a_100000185481_100000211543 [1,0,0,0,0,1|2,0,0]=4 526 B17R2.193 Oc1ccc(cc1F)SCC2CCCCO2 62a_100000211543_100000185481 [1,0,0,0,0,1|2,0,0]=4 527 B17R2.193 Oc1ccc(cc1O)C=CC2CCCCC2 271570a_100016283615_100009813601 [1,0,0,0,0,1|1,0,1]=4 528 B17R2.193 Oc1ccc(cc1O)CNC2CCCCC2 34a_100000010075_100000210327 [1,0,0,0,0,1|1,0,0]=3 529 B17R2.193 Oc1ccc(cc1O)CNC2CCCOC2 34a_100000010075_100000693364 [1,0,0,0,0,1|2,0,0]=4 530 B17R2.193 Oc1ccc(cc1O)CNC2CCSCC2 34a_100000010075_100000069128 [1,0,0,0,0,1|2,0,0]=4 531 B17R2.193 Oc1ccc(cc1O)NCC2CCCCC2 34a_100102946323_100000211423 [1,0,0,0,0,1|1,0,0]=3 532 B17R2.193 Oc1ccc(cc1O)NCC2CCCCO2 34a_100102946323_100000211543 [1,0,0,0,0,1|1,0,0]=3 533 B17R2.193 Oc1ccc(cc1O)NCC2CCCOC2 34a_100102946323_100000741521 [1,0,0,0,0,1|2,0,0]=4 534 B17R2.193 Oc1ccc(cc1O)NCC2CCOCC2 34a_100102946323_100000754603 [1,0,0,0,0,1|2,0,0]=4 535 B17R2.193 Oc1ccc(cc1O)SCC2CCCCC2 62a_100000211423_100009813601 [1,0,0,0,0,1|1,0,0]=3 536 B17R2.193 Oc1ccc(cc1O)SCC2CCCCO2 62a_100000211543_100009813601 [1,0,0,0,0,1|1,0,0]=3 537 B17R2.193 Oc1ccc(cc1O)SCC2CCCOC2 62a_100000741521_100009813601 [1,0,0,0,0,1|2,0,0]=4 538 B17R2.193 Oc1ccc(cc1O)SCC2CCOCC2 62a_100000754603_100009813601 [1,0,0,0,0,1|2,0,0]=4 539 B17R2.56643 Oc1ccc(cc1O)NC2CCCCCC2 34a_100102946323_100011217769 [1,0,0,0,0,1|2,0,0]=4 540 B17R2.56643 Oc1ccc(cc1O)SC2CCCCCC2 62a_100011217769_100009813601 [1,0,0,0,0,1|2,0,0]=4 541 B17R2.5273 CC(NC1CCCCC1)c2cccc(c2)O 269862a_100000182618_100000211620 [1,0,0,0,0,1|2,0,0]=4 542 B17R2.5273 CC(NC1CCCCC1)c2cccc(c2)O 270004a_100000740644_100000210434 [1,0,0,0,0,1|2,0,0]=4 543 B17R2.197 O=C(Cc1ccc(c(c1)O)O)C2CCCC2 1458a_100000031429_100000179811 [0,0,0,0,1,1|0,0,2]=4 544 B17R2.197 O=C(Nc1ccc(c(c1)O)O)C2CCCC2 22a_100102946323_100000210718 [0,0,0,0,1,1|0,0,2]=4 545 B17R2.197 O=C(Nc1ccc(c(c1)O)O)C2CCCC2 527a_100102946323_100000210718 [0,0,0,0,1,1|0,0,2]=4 546 B19R2.11834 CC(NCc1ccc(c(c1)F)O)C2CCCCN2 269862a_100000758358_200011997754 [0,0,0,0,0,2|2,0,0]=4 547 B19R2.11834 CC(NCc1ccc(c(c1)O)Cl)C2CCCCN2 269862a_100020636435_200011997754 [0,0,0,0,0,2|2,0,0]=4 548 B19R2.11834 CC(NCc1ccc(c(c1)O)F)C2CCCCN2 269862a_100160469508_200011997754 [0,0,0,0,0,2|2,0,0]=4 549 B19R2.11833 Oc1ccc(cc1O)C(O)CNC2CCCCC2 34a_100000106456_100000210327 [0,0,0,0,0,2|1,0,0]=3 550 B19R2.11833 Oc1ccc(cc1O)C(O)CNC2CCCOC2 34a_100000106456_100000693364 [0,0,0,0,0,2|2,0,0]=4 551 B19R2.11833 Oc1ccc(cc1O)C(O)CNC2CCSCC2 34a_100000106456_100000069128 [0,0,0,0,0,2|2,0,0]=4