0 B16R1.608 C=C(C)CNNC(=O)C=Cc1ccccc1 22a_100000729518_100000210462 [0,0,0,0,0,0|2,0,2]=4 1 B16R1.608 CC(=CCCC(=O)C=Cc1ccccc1)C 1458a_100000210462_100011217483 [0,0,0,0,0,0|1,0,2]=3 2 B16R1.608 CC(=CCCC(=O)C=Cc1ccccn1)C 1458a_100000740811_100011217483 [0,0,0,0,0,0|2,0,2]=4 3 B16R1.608 CC(=CCCC(=O)C=Cc1cccnc1)C 1458a_100000735890_100011217483 [0,0,0,0,0,0|2,0,2]=4 4 B16R1.608 CC(=CCCC(=O)C=Cc1ccncc1)C 1458a_100000682801_100011217483 [0,0,0,0,0,0|2,0,2]=4 5 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 11a_100000718196_100000210462 [0,0,0,0,0,0|1,0,2]=3 6 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 1626a_100000718196_100000210462 [0,0,0,0,0,0|1,0,2]=3 7 B16R1.608 CC(=CCNC(=O)C=Cc1ccccn1)C 11a_100000718196_100000740811 [0,0,0,0,0,0|2,0,2]=4 8 B16R1.608 CC(=CCNC(=O)C=Cc1cccnc1)C 11a_100000718196_100000735890 [0,0,0,0,0,0|2,0,2]=4 9 B16R1.608 CC(=NNCC(C)O)C=Cc1ccccc1 4a_200000730056_100000204604 [0,0,0,0,0,0|4,0,0]=4 10 B16R1.608 CC(=NNc1ccccc1)CCCC(C)C 4a_100015195140_100000753411 [0,0,0,0,0,0|4,0,0]=4 11 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215641 [0,0,0,0,0,0|2,0,1]=3 12 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215641 [0,0,0,0,0,0|3,0,1]=4 13 B16R1.608 CC(=O)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215641 [0,0,0,0,0,0|3,0,1]=4 14 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215641 [0,0,0,0,0,0|3,0,1]=4 15 B16R1.608 CC(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200000210301 [0,0,0,0,0,0|2,0,1]=3 16 B16R1.608 CC(=O)NCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000189650 [0,0,0,0,0,0|3,0,1]=4 17 B16R1.608 CC(=O)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100009814007 [0,0,0,0,0,0|3,0,1]=4 18 B16R1.608 CC(C)CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100011214892 [0,0,0,0,0,0|1,0,2]=3 19 B16R1.608 CC(C)CCCC(=O)C#Cc1ccccn1 1458a_102125277312_100011214892 [0,0,0,0,0,0|2,0,2]=4 20 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214892 [0,0,0,0,0,0|1,0,0]=1 21 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011214892 [0,0,0,0,0,0|2,0,0]=2 22 B16R1.608 CC(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011214892 [0,0,0,0,0,0|2,0,0]=2 23 B16R1.608 CC(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011214892 [0,0,0,0,0,0|2,0,0]=2 24 B16R1.608 CC(C)CCCC(=O)C=Cc1cncnc1 6a_100000749868_100000753411 [0,0,0,0,0,0|3,0,0]=3 25 B16R1.608 CC(C)CCCC(=O)CCc1ccccc1 1458a_100000185753_100011214892 [0,0,0,0,0,0|1,0,2]=3 26 B16R1.608 CC(C)CCCC(=O)CCc1ccccc1 1458a_100011216857_100000765856 [0,0,0,0,0,0|1,0,2]=3 27 B16R1.608 CC(C)CCCC(=O)CCc1ccccn1 1458a_100011216857_100015183660 [0,0,0,0,0,0|2,0,2]=4 28 B16R1.608 CC(C)CCCC(=O)CCc1ccccn1 1458a_100015195070_100011214892 [0,0,0,0,0,0|2,0,2]=4 29 B16R1.608 CC(C)CCCC(=O)CCc1cccnc1 1458a_100000198484_100011214892 [0,0,0,0,0,0|2,0,2]=4 30 B16R1.608 CC(C)CCCC(=O)CCc1cccnc1 1458a_100011216857_200011713674 [0,0,0,0,0,0|2,0,2]=4 31 B16R1.608 CC(C)CCCC(=O)CCc1ccncc1 1458a_100011216857_100000723409 [0,0,0,0,0,0|2,0,2]=4 32 B16R1.608 CC(C)CCCC(=O)CCc1ccncc1 1458a_100011225043_100011214892 [0,0,0,0,0,0|2,0,2]=4 33 B16R1.608 CC(C)CCCC(=O)COc1ccccc1 1458a_100000186222_100011214892 [0,0,0,0,0,0|2,0,1]=3 34 B16R1.608 CC(C)CCCC(=O)COc1ccccn1 1458a_100102699861_100011214892 [0,0,0,0,0,0|3,0,1]=4 35 B16R1.608 CC(C)CCCC(=O)COc1cccnc1 1458a_100015207166_100011214892 [0,0,0,0,0,0|3,0,1]=4 36 B16R1.608 CC(C)CCCC(=O)CSc1ccccc1 1458a_100000211596_100011214892 [0,0,0,0,0,0|2,0,1]=3 37 B16R1.608 CC(C)CCCC(=O)CSc1ccccn1 1458a_100000156281_100011214892 [0,0,0,0,0,0|3,0,1]=4 38 B16R1.608 CC(C)CCCC(=O)CSc1ccncc1 1458a_100000211328_100011214892 [0,0,0,0,0,0|3,0,1]=4 39 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 11a_100015324214_100011216857 [0,0,0,0,0,0|2,0,1]=3 40 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 1626a_100015324214_100011216857 [0,0,0,0,0,0|2,0,1]=3 41 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 240690a_100015324214_100011216857 [0,0,0,0,0,0|2,0,1]=3 42 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 527a_100015324214_100011216857 [0,0,0,0,0,0|2,0,1]=3 43 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 11a_100000210449_100011216857 [0,0,0,0,0,0|3,0,1]=4 44 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 1626a_100000210449_100011216857 [0,0,0,0,0,0|3,0,1]=4 45 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 240690a_100000210449_100011216857 [0,0,0,0,0,0|3,0,1]=4 46 B16R1.608 CC(C)CCCC(=O)NCc1ccccn1 527a_100000210449_100011216857 [0,0,0,0,0,0|3,0,1]=4 47 B16R1.608 CC(C)CCCC(=O)NCc1cccnc1 11a_100000210453_100011216857 [0,0,0,0,0,0|3,0,1]=4 48 B16R1.608 CC(C)CCCC(=O)NCc1cccnc1 240690a_100000210453_100011216857 [0,0,0,0,0,0|3,0,1]=4 49 B16R1.608 CC(C)CCCC(=O)NCc1cccnc1 527a_100000210453_100011216857 [0,0,0,0,0,0|3,0,1]=4 50 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 11a_100000210450_100011216857 [0,0,0,0,0,0|3,0,1]=4 51 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 1626a_100000210450_100011216857 [0,0,0,0,0,0|3,0,1]=4 52 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 240690a_100000210450_100011216857 [0,0,0,0,0,0|3,0,1]=4 53 B16R1.608 CC(C)CCCC(=O)NCc1ccncc1 527a_100000210450_100011216857 [0,0,0,0,0,0|3,0,1]=4 54 B16R1.608 CC(C)CCCC(=O)NNc1ccccc1 22a_100015195140_100011216857 [0,0,0,0,0,0|3,0,0]=3 55 B16R1.608 CC(C)CCCC(=O)NNc1ccccn1 22a_100000183288_100011216857 [0,0,0,0,0,0|4,0,0]=4 56 B16R1.608 CC(C)CCCC(=O)NNc1cccnc1 22a_100000728903_100011216857 [0,0,0,0,0,0|4,0,0]=4 57 B16R1.608 CC(C)CCCC(=O)NNc1ccncc1 22a_100000698918_100011216857 [0,0,0,0,0,0|4,0,0]=4 58 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 240690a_100000210545_100000736102 [0,0,0,0,0,0|1,0,2]=3 59 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 11a_100000210545_100000210462 [0,0,0,0,0,0|1,0,0]=1 60 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 1626a_100000210545_100000210462 [0,0,0,0,0,0|1,0,0]=1 61 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 11a_100000210545_100000740811 [0,0,0,0,0,0|2,0,0]=2 62 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 240690a_100000210545_100000740811 [0,0,0,0,0,0|2,0,0]=2 63 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 11a_100000210545_100000735890 [0,0,0,0,0,0|2,0,0]=2 64 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 240690a_100000210545_100000735890 [0,0,0,0,0,0|2,0,0]=2 65 B16R1.608 CC(C)CCNC(=O)C=Cc1ccncc1 240690a_100000210545_100000682801 [0,0,0,0,0,0|2,0,0]=2 66 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 11a_100000210545_100000185753 [0,0,0,0,0,0|1,0,2]=3 67 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 1626a_100000210545_100000185753 [0,0,0,0,0,0|1,0,2]=3 68 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 240690a_100000210545_100000185753 [0,0,0,0,0,0|1,0,2]=3 69 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 527a_100000210545_100000185753 [0,0,0,0,0,0|1,0,2]=3 70 B16R1.608 CC(C)CCNC(=O)CCc1ccccn1 11a_100000210545_100015195070 [0,0,0,0,0,0|2,0,2]=4 71 B16R1.608 CC(C)CCNC(=O)CCc1ccccn1 240690a_100000210545_100015195070 [0,0,0,0,0,0|2,0,2]=4 72 B16R1.608 CC(C)CCNC(=O)CCc1ccccn1 527a_100000210545_100015195070 [0,0,0,0,0,0|2,0,2]=4 73 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 11a_100000210545_100000198484 [0,0,0,0,0,0|2,0,2]=4 74 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 1626a_100000210545_100000198484 [0,0,0,0,0,0|2,0,2]=4 75 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 240690a_100000210545_100000198484 [0,0,0,0,0,0|2,0,2]=4 76 B16R1.608 CC(C)CCNC(=O)CCc1cccnc1 527a_100000210545_100000198484 [0,0,0,0,0,0|2,0,2]=4 77 B16R1.608 CC(C)CCNC(=O)CCc1ccncc1 11a_100000210545_100011225043 [0,0,0,0,0,0|2,0,2]=4 78 B16R1.608 CC(C)CCNC(=O)CCc1ccncc1 240690a_100000210545_100011225043 [0,0,0,0,0,0|2,0,2]=4 79 B16R1.608 CC(C)CCNC(=O)CCc1ccncc1 527a_100000210545_100011225043 [0,0,0,0,0,0|2,0,2]=4 80 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 11a_100000210545_100000186222 [0,0,0,0,0,0|2,0,1]=3 81 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 1626a_100000210545_100000186222 [0,0,0,0,0,0|2,0,1]=3 82 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 240690a_100000210545_100000186222 [0,0,0,0,0,0|2,0,1]=3 83 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 527a_100000210545_100000186222 [0,0,0,0,0,0|2,0,1]=3 84 B16R1.608 CC(C)CCNC(=O)COc1ccccn1 1626a_100000210545_100102699861 [0,0,0,0,0,0|3,0,1]=4 85 B16R1.608 CC(C)CCNC(=O)COc1ccccn1 240690a_100000210545_100102699861 [0,0,0,0,0,0|3,0,1]=4 86 B16R1.608 CC(C)CCNC(=O)COc1ccccn1 527a_100000210545_100102699861 [0,0,0,0,0,0|3,0,1]=4 87 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 11a_100000210545_100015207166 [0,0,0,0,0,0|3,0,1]=4 88 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 1626a_100000210545_100015207166 [0,0,0,0,0,0|3,0,1]=4 89 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 240690a_100000210545_100015207166 [0,0,0,0,0,0|3,0,1]=4 90 B16R1.608 CC(C)CCNC(=O)COc1cccnc1 527a_100000210545_100015207166 [0,0,0,0,0,0|3,0,1]=4 91 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 11a_100000210545_100000211596 [0,0,0,0,0,0|2,0,1]=3 92 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 1626a_100000210545_100000211596 [0,0,0,0,0,0|2,0,1]=3 93 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 240690a_100000210545_100000211596 [0,0,0,0,0,0|2,0,1]=3 94 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 527a_100000210545_100000211596 [0,0,0,0,0,0|2,0,1]=3 95 B16R1.608 CC(C)CCNC(=O)CSc1ccccn1 11a_100000210545_100000156281 [0,0,0,0,0,0|3,0,1]=4 96 B16R1.608 CC(C)CCNC(=O)CSc1ccccn1 240690a_100000210545_100000156281 [0,0,0,0,0,0|3,0,1]=4 97 B16R1.608 CC(C)CCNC(=O)CSc1ccccn1 527a_100000210545_100000156281 [0,0,0,0,0,0|3,0,1]=4 98 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 11a_100000210545_100000211328 [0,0,0,0,0,0|3,0,1]=4 99 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 1626a_100000210545_100000211328 [0,0,0,0,0,0|3,0,1]=4 100 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 240690a_100000210545_100000211328 [0,0,0,0,0,0|3,0,1]=4 101 B16R1.608 CC(C)CCNC(=O)CSc1ccncc1 527a_100000210545_100000211328 [0,0,0,0,0,0|3,0,1]=4 102 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 2708a_100000210545_100015324214 [0,0,0,0,0,0|2,0,1]=3 103 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 2708a_100015324214_100000210545 [0,0,0,0,0,0|2,0,1]=3 104 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 273464a_100000210545_100015324214 [0,0,0,0,0,0|2,0,1]=3 105 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 273464a_100015324214_100000210545 [0,0,0,0,0,0|2,0,1]=3 106 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 512a_100000210545_100015324214 [0,0,0,0,0,0|2,0,1]=3 107 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 512a_100015324214_100000210545 [0,0,0,0,0,0|2,0,1]=3 108 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 2708a_100000210449_100000210545 [0,0,0,0,0,0|3,0,1]=4 109 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 2708a_100000210545_100000210449 [0,0,0,0,0,0|3,0,1]=4 110 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 273464a_100000210449_100000210545 [0,0,0,0,0,0|3,0,1]=4 111 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 273464a_100000210545_100000210449 [0,0,0,0,0,0|3,0,1]=4 112 B16R1.608 CC(C)CCNC(=O)NCc1ccccn1 512a_100000210545_100000210449 [0,0,0,0,0,0|3,0,1]=4 113 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 2708a_100000210453_100000210545 [0,0,0,0,0,0|3,0,1]=4 114 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 2708a_100000210545_100000210453 [0,0,0,0,0,0|3,0,1]=4 115 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 273464a_100000210453_100000210545 [0,0,0,0,0,0|3,0,1]=4 116 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 273464a_100000210545_100000210453 [0,0,0,0,0,0|3,0,1]=4 117 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 512a_100000210453_100000210545 [0,0,0,0,0,0|3,0,1]=4 118 B16R1.608 CC(C)CCNC(=O)NCc1cccnc1 512a_100000210545_100000210453 [0,0,0,0,0,0|3,0,1]=4 119 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 2708a_100000210450_100000210545 [0,0,0,0,0,0|3,0,1]=4 120 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 2708a_100000210545_100000210450 [0,0,0,0,0,0|3,0,1]=4 121 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 273464a_100000210450_100000210545 [0,0,0,0,0,0|3,0,1]=4 122 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 273464a_100000210545_100000210450 [0,0,0,0,0,0|3,0,1]=4 123 B16R1.608 CC(C)CCNC(=O)NCc1ccncc1 512a_100000210545_100000210450 [0,0,0,0,0,0|3,0,1]=4 124 B16R1.608 CC(C)CCNC(=O)NNc1ccccc1 273464a_100000210545_100015195140 [0,0,0,0,0,0|3,0,0]=3 125 B16R1.608 CC(C)CCNC(=O)NNc1ccccc1 512a_100000210545_100015195140 [0,0,0,0,0,0|3,0,0]=3 126 B16R1.608 CC(C)CCNC(=O)NNc1ccccn1 273464a_100000210545_100000183288 [0,0,0,0,0,0|4,0,0]=4 127 B16R1.608 CC(C)CCNC(=O)NNc1ccccn1 512a_100000210545_100000183288 [0,0,0,0,0,0|4,0,0]=4 128 B16R1.608 CC(C)CCNC(=O)NNc1cccnc1 273464a_100000210545_100000728903 [0,0,0,0,0,0|4,0,0]=4 129 B16R1.608 CC(C)CCNC(=O)NNc1cccnc1 512a_100000210545_100000728903 [0,0,0,0,0,0|4,0,0]=4 130 B16R1.608 CC(C)CCNC(=O)NNc1ccncc1 273464a_100000210545_100000698918 [0,0,0,0,0,0|4,0,0]=4 131 B16R1.608 CC(C)CCNC(=O)NNc1ccncc1 512a_100000210545_100000698918 [0,0,0,0,0,0|4,0,0]=4 132 B16R1.608 CC(C)CCOC(C)C#Cc1ccccc1 34a_200000065209_100000210312 [0,0,0,0,0,0|1,0,3]=4 133 B16R1.608 CC(C)CCOC(C)C#Cc1ccccc1 7a_200000065209_100000210626 [0,0,0,0,0,0|1,0,3]=4 134 B16R1.608 CC(C)CCOC(C)COc1ccccc1 34a_100000210911_100000210312 [0,0,0,0,0,0|2,0,2]=4 135 B16R1.608 CC(C)CCOC(C)COc1ccccc1 7a_100000210911_100000210626 [0,0,0,0,0,0|2,0,2]=4 136 B16R1.608 CC(C)CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210312 [0,0,0,0,0,0|1,0,3]=4 137 B16R1.608 CC(C)CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210626 [0,0,0,0,0,0|1,0,3]=4 138 B16R1.608 CC(C)CNCC(=O)CCc1ccccc1 2230a_100000210953_100012361361 [0,0,0,0,0,0|2,0,2]=4 139 B16R1.608 CC(C)CNCC(=O)CCc1ccccc1 34a_100000210953_100012361361 [0,0,0,0,0,0|2,0,2]=4 140 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 2230a_100000210953_100000183539 [0,0,0,0,0,0|3,0,1]=4 141 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 2230a_100000739245_100000210760 [0,0,0,0,0,0|3,0,1]=4 142 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 270004a_100000739245_100000210432 [0,0,0,0,0,0|3,0,1]=4 143 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 34a_100000210953_100000183539 [0,0,0,0,0,0|3,0,1]=4 144 B16R1.608 CC(C)CNCC(=O)OCc1ccccc1 2230a_100000210953_100000753625 [0,0,0,0,0,0|3,0,1]=4 145 B16R1.608 CC(C)CNCC(=O)OCc1ccccc1 34a_100000210953_100000753625 [0,0,0,0,0,0|3,0,1]=4 146 B16R1.608 CC(C)CNNC(=O)C#Cc1ccccc1 22a_100000696102_100000736102 [0,0,0,0,0,0|2,0,2]=4 147 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccc1 22a_100000696102_100000210462 [0,0,0,0,0,0|2,0,0]=2 148 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccn1 22a_100000696102_100000740811 [0,0,0,0,0,0|3,0,0]=3 149 B16R1.608 CC(C)CNNC(=O)C=Cc1cccnc1 22a_100000696102_100000735890 [0,0,0,0,0,0|3,0,0]=3 150 B16R1.608 CC(C)CNNC(=O)C=Cc1ccncc1 22a_100000696102_100000682801 [0,0,0,0,0,0|3,0,0]=3 151 B16R1.608 CC(C)CNNC(=O)CCc1ccccc1 22a_100000696102_100000185753 [0,0,0,0,0,0|2,0,2]=4 152 B16R1.608 CC(C)CNNC(=O)COc1ccccc1 22a_100000696102_100000186222 [0,0,0,0,0,0|3,0,1]=4 153 B16R1.608 CC(C)CNNC(=O)CSc1ccccc1 22a_100000696102_100000211596 [0,0,0,0,0,0|3,0,1]=4 154 B16R1.608 CC(C)CNNC(=O)NCc1ccccc1 273464a_100015324214_100000696102 [0,0,0,0,0,0|3,0,1]=4 155 B16R1.608 CC(C)CNNC(=O)NCc1ccccc1 512a_100000696102_100015324214 [0,0,0,0,0,0|3,0,1]=4 156 B16R1.608 CC(C)CNNC(=O)NCc1ccccc1 512a_100015324214_100000696102 [0,0,0,0,0,0|3,0,1]=4 157 B16R1.608 CC(C)CNNC(=O)NNc1ccccc1 512a_100000696102_100015195140 [0,0,0,0,0,0|4,0,0]=4 158 B16R1.608 CC(C)COCC(=O)CCc1ccccc1 1458a_100011223364_100000765856 [0,0,0,0,0,0|2,0,2]=4 159 B16R1.608 CC(C)COCC(=O)CCc1ccccc1 34a_100000210257_100012361361 [0,0,0,0,0,0|2,0,2]=4 160 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 11a_100015324214_100011223364 [0,0,0,0,0,0|3,0,1]=4 161 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 1626a_100015324214_100011223364 [0,0,0,0,0,0|3,0,1]=4 162 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 240690a_100015324214_100011223364 [0,0,0,0,0,0|3,0,1]=4 163 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 34a_100000210257_100000183539 [0,0,0,0,0,0|3,0,1]=4 164 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 527a_100015324214_100011223364 [0,0,0,0,0,0|3,0,1]=4 165 B16R1.608 CC(C)COCC(=O)NNc1ccccc1 22a_100015195140_100011223364 [0,0,0,0,0,0|4,0,0]=4 166 B16R1.608 CC(C)COCC(=O)OCc1ccccc1 34a_100000210257_100000753625 [0,0,0,0,0,0|3,0,1]=4 167 B16R1.608 CC(C)CSCC(=O)CCc1ccccc1 62a_100000210624_100012361361 [0,0,0,0,0,0|2,0,2]=4 168 B16R1.608 CC(C)CSCC(=O)CCc1ccccc1 62a_100012361361_100000210760 [0,0,0,0,0,0|2,0,2]=4 169 B16R1.608 CC(C)CSCC(=O)NCc1ccccc1 62a_100000183539_100000210760 [0,0,0,0,0,0|3,0,1]=4 170 B16R1.608 CC(C)CSCC(=O)NCc1ccccc1 62a_100000210624_100000183539 [0,0,0,0,0,0|3,0,1]=4 171 B16R1.608 CC(C)CSCC(=O)OCc1ccccc1 62a_100000210624_100000753625 [0,0,0,0,0,0|3,0,1]=4 172 B16R1.608 CC(C)CSCC(=O)OCc1ccccc1 62a_100000753625_100000210760 [0,0,0,0,0,0|3,0,1]=4 173 B16R1.608 CC(C)NCCC(=O)NCc1ccccc1 2230a_100025741942_100000210206 [0,0,0,0,0,0|3,0,1]=4 174 B16R1.608 CC(C)NCCC(=O)NCc1ccccc1 34a_100025741942_100000210206 [0,0,0,0,0,0|3,0,1]=4 175 B16R1.608 CC(C)NCCC(=O)OCc1ccccc1 2230a_100138425928_100009813219 [0,0,0,0,0,0|3,0,1]=4 176 B16R1.608 CC(C)OCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000211751 [0,0,0,0,0,0|2,0,2]=4 177 B16R1.608 CC(C)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211751 [0,0,0,0,0,0|2,0,0]=2 178 B16R1.608 CC(C)OCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000211751 [0,0,0,0,0,0|3,0,0]=3 179 B16R1.608 CC(C)OCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000211751 [0,0,0,0,0,0|3,0,0]=3 180 B16R1.608 CC(C)OCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000211751 [0,0,0,0,0,0|3,0,0]=3 181 B16R1.608 CC(C)OCCC(=O)C=Cc1cncnc1 6a_100000749868_200011219172 [0,0,0,0,0,0|4,0,0]=4 182 B16R1.608 CC(C)OCCC(=O)CCc1ccccc1 1458a_100000185753_100000211751 [0,0,0,0,0,0|2,0,2]=4 183 B16R1.608 CC(C)OCCC(=O)COc1ccccc1 1458a_100000186222_100000211751 [0,0,0,0,0,0|3,0,1]=4 184 B16R1.608 CC(C)OCCC(=O)CSc1ccccc1 1458a_100000211596_100000211751 [0,0,0,0,0,0|3,0,1]=4 185 B16R1.608 CC(C)OCCC(=O)OCc1ccccc1 7a_100009831632_100000210206 [0,0,0,0,0,0|3,0,1]=4 186 B16R1.608 CC(C)SCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000730970 [0,0,0,0,0,0|2,0,2]=4 187 B16R1.608 CC(C)SCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730970 [0,0,0,0,0,0|2,0,0]=2 188 B16R1.608 CC(C)SCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000730970 [0,0,0,0,0,0|3,0,0]=3 189 B16R1.608 CC(C)SCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000730970 [0,0,0,0,0,0|3,0,0]=3 190 B16R1.608 CC(C)SCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000730970 [0,0,0,0,0,0|3,0,0]=3 191 B16R1.608 CC(C)SCCC(=O)CCc1ccccc1 1458a_100000185753_100000730970 [0,0,0,0,0,0|2,0,2]=4 192 B16R1.608 CC(C)SCCC(=O)COc1ccccc1 1458a_100000186222_100000730970 [0,0,0,0,0,0|3,0,1]=4 193 B16R1.608 CC(C)SCCC(=O)CSc1ccccc1 1458a_100000211596_100000730970 [0,0,0,0,0,0|3,0,1]=4 194 B16R1.608 CC(C)SCCC(=O)OCc1ccccc1 62a_100000210206_100009813219 [0,0,0,0,0,0|3,0,1]=4 195 B16R1.608 CC(C)SCCC(=O)OCc1ccccc1 62a_100009813219_100000210206 [0,0,0,0,0,0|3,0,1]=4 196 B16R1.608 CC(O)CCCC(=O)C#Cc1ccccc1 1458a_100000736102_200000718107 [0,0,0,0,0,0|2,0,2]=4 197 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000718107 [0,0,0,0,0,0|2,0,0]=2 198 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_200000718107 [0,0,0,0,0,0|3,0,0]=3 199 B16R1.608 CC(O)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_200000718107 [0,0,0,0,0,0|3,0,0]=3 200 B16R1.608 CC(O)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_200000718107 [0,0,0,0,0,0|3,0,0]=3 201 B16R1.608 CC(O)CCCC(=O)CCc1ccccc1 1458a_100000185753_200000718107 [0,0,0,0,0,0|2,0,2]=4 202 B16R1.608 CC(O)CCCC(=O)COc1ccccc1 1458a_100000186222_200000718107 [0,0,0,0,0,0|3,0,1]=4 203 B16R1.608 CC(O)CCCC(=O)CSc1ccccc1 1458a_100000211596_200000718107 [0,0,0,0,0,0|3,0,1]=4 204 B16R1.608 CC(O)CCCC(=O)NCc1ccccc1 1626a_100015324214_100000761597 [0,0,0,0,0,0|3,0,1]=4 205 B16R1.608 CC(O)CCCC(=O)NCc1ccccc1 527a_100015324214_100000761597 [0,0,0,0,0,0|3,0,1]=4 206 B16R1.608 CC(O)CCCC(=O)NNc1ccccc1 22a_100015195140_100000761597 [0,0,0,0,0,0|4,0,0]=4 207 B16R1.608 CC(O)CCNC(=O)C#Cc1ccccc1 240690a_200000755665_100000736102 [0,0,0,0,0,0|2,0,2]=4 208 B16R1.608 CC(O)CCNC(=O)C=Cc1ccccn1 240690a_200000755665_100000740811 [0,0,0,0,0,0|3,0,0]=3 209 B16R1.608 CC(O)CCNC(=O)C=Cc1cccnc1 240690a_200000755665_100000735890 [0,0,0,0,0,0|3,0,0]=3 210 B16R1.608 CC(O)CCNC(=O)C=Cc1ccncc1 240690a_200000755665_100000682801 [0,0,0,0,0,0|3,0,0]=3 211 B16R1.608 CC(O)CCNC(=O)CCc1ccccc1 240690a_200000755665_100000185753 [0,0,0,0,0,0|2,0,2]=4 212 B16R1.608 CC(O)CCNC(=O)CCc1ccccc1 527a_200000755665_100000185753 [0,0,0,0,0,0|2,0,2]=4 213 B16R1.608 CC(O)CCNC(=O)COc1ccccc1 240690a_200000755665_100000186222 [0,0,0,0,0,0|3,0,1]=4 214 B16R1.608 CC(O)CCNC(=O)COc1ccccc1 527a_200000755665_100000186222 [0,0,0,0,0,0|3,0,1]=4 215 B16R1.608 CC(O)CCNC(=O)CSc1ccccc1 240690a_200000755665_100000211596 [0,0,0,0,0,0|3,0,1]=4 216 B16R1.608 CC(O)CCNC(=O)CSc1ccccc1 527a_200000755665_100000211596 [0,0,0,0,0,0|3,0,1]=4 217 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 2708a_100015324214_200000755665 [0,0,0,0,0,0|3,0,1]=4 218 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 273464a_200000755665_100015324214 [0,0,0,0,0,0|3,0,1]=4 219 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 512a_100015324214_200000755665 [0,0,0,0,0,0|3,0,1]=4 220 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 512a_200000755665_100015324214 [0,0,0,0,0,0|3,0,1]=4 221 B16R1.608 CC(O)CCNC(=O)NNc1ccccc1 273464a_200000755665_100015195140 [0,0,0,0,0,0|4,0,0]=4 222 B16R1.608 CC(O)CCNC(=O)NNc1ccccc1 512a_200000755665_100015195140 [0,0,0,0,0,0|4,0,0]=4 223 B16R1.608 CC(O)CNNC(=O)C=Cc1ccccc1 22a_200000730056_100000210462 [0,0,0,0,0,0|3,0,0]=3 224 B16R1.608 CC(O)CNNC(=O)C=Cc1ccccn1 22a_200000730056_100000740811 [0,0,0,0,0,0|4,0,0]=4 225 B16R1.608 CC(O)CNNC(=O)C=Cc1cccnc1 22a_200000730056_100000735890 [0,0,0,0,0,0|4,0,0]=4 226 B16R1.608 CC(O)CNNC(=O)C=Cc1ccncc1 22a_200000730056_100000682801 [0,0,0,0,0,0|4,0,0]=4 227 B16R1.608 CN(C)CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000695564 [0,0,0,0,0,0|2,0,2]=4 228 B16R1.608 CN(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000695564 [0,0,0,0,0,0|2,0,0]=2 229 B16R1.608 CN(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000695564 [0,0,0,0,0,0|3,0,0]=3 230 B16R1.608 CN(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000695564 [0,0,0,0,0,0|3,0,0]=3 231 B16R1.608 CN(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000695564 [0,0,0,0,0,0|3,0,0]=3 232 B16R1.608 CN(C)CCCC(=O)CCc1ccccc1 1458a_100000185753_100000695564 [0,0,0,0,0,0|2,0,2]=4 233 B16R1.608 CN(C)CCCC(=O)COc1ccccc1 1458a_100000186222_100000695564 [0,0,0,0,0,0|3,0,1]=4 234 B16R1.608 CN(C)CCCC(=O)CSc1ccccc1 1458a_100000211596_100000695564 [0,0,0,0,0,0|3,0,1]=4 235 B16R1.608 CN(C)CCCC(=O)NCc1ccccc1 11a_100015324214_100000740757 [0,0,0,0,0,0|3,0,1]=4 236 B16R1.608 CN(C)CCCC(=O)NCc1ccccc1 240690a_100015324214_100000740757 [0,0,0,0,0,0|3,0,1]=4 237 B16R1.608 CN(C)CCCC(=O)NNc1ccccc1 22a_100015195140_100000740757 [0,0,0,0,0,0|4,0,0]=4 238 B16R1.608 CN(C)CCCC(=O)OCc1ccccc1 2230a_100102631434_100009813218 [0,0,0,0,0,0|3,0,1]=4 239 B16R1.608 CN(C)CCCC(=O)OCc1ccccc1 269982a_100102631434_100009813218 [0,0,0,0,0,0|3,0,1]=4 240 B16R1.608 CN(C)CCNC(=O)C#Cc1ccccc1 240690a_100000210585_100000736102 [0,0,0,0,0,0|2,0,2]=4 241 B16R1.608 CN(C)CCNC(=O)C=Cc1ccccn1 240690a_100000210585_100000740811 [0,0,0,0,0,0|3,0,0]=3 242 B16R1.608 CN(C)CCNC(=O)C=Cc1cccnc1 240690a_100000210585_100000735890 [0,0,0,0,0,0|3,0,0]=3 243 B16R1.608 CN(C)CCNC(=O)C=Cc1ccncc1 240690a_100000210585_100000682801 [0,0,0,0,0,0|3,0,0]=3 244 B16R1.608 CN(C)CCNC(=O)CCc1ccccc1 240690a_100000210585_100000185753 [0,0,0,0,0,0|2,0,2]=4 245 B16R1.608 CN(C)CCNC(=O)CCc1ccccc1 527a_100000210585_100000185753 [0,0,0,0,0,0|2,0,2]=4 246 B16R1.608 CN(C)CCNC(=O)COc1ccccc1 240690a_100000210585_100000186222 [0,0,0,0,0,0|3,0,1]=4 247 B16R1.608 CN(C)CCNC(=O)COc1ccccc1 527a_100000210585_100000186222 [0,0,0,0,0,0|3,0,1]=4 248 B16R1.608 CN(C)CCNC(=O)CSc1ccccc1 240690a_100000210585_100000211596 [0,0,0,0,0,0|3,0,1]=4 249 B16R1.608 CN(C)CCNC(=O)CSc1ccccc1 527a_100000210585_100000211596 [0,0,0,0,0,0|3,0,1]=4 250 B16R1.608 CN(C)CCNC(=O)NCc1ccccc1 2708a_100015324214_100000210585 [0,0,0,0,0,0|3,0,1]=4 251 B16R1.608 CN(C)CCNC(=O)NCc1ccccc1 273464a_100000210585_100015324214 [0,0,0,0,0,0|3,0,1]=4 252 B16R1.608 CN(C)CCNC(=O)NCc1ccccc1 273464a_100015324214_100000210585 [0,0,0,0,0,0|3,0,1]=4 253 B16R1.608 CN(C)CCNC(=O)NCc1ccccc1 512a_100015324214_100000210585 [0,0,0,0,0,0|3,0,1]=4 254 B16R1.608 CN(C)CCNC(=O)NNc1ccccc1 273464a_100000210585_100015195140 [0,0,0,0,0,0|4,0,0]=4 255 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 2230a_100016987931_200000210301 [0,0,0,0,0,0|3,0,1]=4 256 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 2230a_100102631434_100012357035 [0,0,0,0,0,0|3,0,1]=4 257 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 269982a_100016987931_200000210301 [0,0,0,0,0,0|3,0,1]=4 258 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 269982a_100102631434_100012357035 [0,0,0,0,0,0|3,0,1]=4 259 B16R1.608 CN([13CH3])CCNC(=O)OCc1ccccc1 2230a_100016987931_200025704644 [0,0,0,0,0,0|3,0,1]=4 260 B16R1.608 CN([13CH3])CCNC(=O)OCc1ccccc1 269982a_100016987931_200025704644 [0,0,0,0,0,0|3,0,1]=4 261 B16R1.608 NC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100102525003 [0,0,0,0,0,0|3,0,1]=4 262 B16R1.608 NC(=O)CCNC(=O)C=Cc1ccccc1 11a_100000740010_100000210462 [0,0,0,0,0,0|3,0,1]=4 263 B16R1.608 [13CH3]C(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200025704644 [0,0,0,0,0,0|2,0,1]=3 264 B15R1.78 C#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000731252 [1,0,0,0,0,0|1,0,2]=4 265 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 11a_100000755551_100000210462 [1,0,0,0,0,0|1,0,2]=4 266 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 1626a_100000755551_100000210462 [1,0,0,0,0,0|1,0,2]=4 267 B15R1.78 C=CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757094 [1,0,0,0,0,0|1,0,2]=4 268 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 11a_100015191253_100000210462 [1,0,0,0,0,0|1,0,2]=4 269 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 1626a_100015191253_100000210462 [1,0,0,0,0,0|1,0,2]=4 270 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 11a_100000685387_100000210462 [1,0,0,0,0,0|1,0,2]=4 271 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 1626a_100000685387_100000210462 [1,0,0,0,0,0|1,0,2]=4 272 B15R1.78 CC/C=C\CC(=O)C=Cc1ccccc1 1458a_100000210462_100103147603 [1,0,0,0,0,0|1,0,2]=4 273 B15R1.78 CCC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100009813939 [1,0,0,0,0,0|1,0,2]=4 274 B15R1.78 CCCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210326 [1,0,0,0,0,0|1,0,2]=4 275 B15R1.78 CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210326 [1,0,0,0,0,0|1,0,0]=2 276 B15R1.78 CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210326 [1,0,0,0,0,0|2,0,0]=3 277 B15R1.78 CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210326 [1,0,0,0,0,0|2,0,0]=3 278 B15R1.78 CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210326 [1,0,0,0,0,0|2,0,0]=3 279 B15R1.78 CCCCCC(=O)C=Cc1cncnc1 6a_100000749868_100011215151 [1,0,0,0,0,0|3,0,0]=4 280 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210326 [1,0,0,0,0,0|1,0,2]=4 281 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000212188_100000765856 [1,0,0,0,0,0|1,0,2]=4 282 B15R1.78 CCCCCC(=O)CNc1ccccc1 34a_100000106764_200012276598 [1,0,0,0,0,0|2,0,1]=4 283 B15R1.78 CCCCCC(=O)COc1ccccc1 1458a_100000186222_100000210326 [1,0,0,0,0,0|2,0,1]=4 284 B15R1.78 CCCCCC(=O)COc1ccccc1 34a_100000210340_200012276598 [1,0,0,0,0,0|2,0,1]=4 285 B15R1.78 CCCCCC(=O)COc1ccccc1 7a_100000210340_200012276598 [1,0,0,0,0,0|2,0,1]=4 286 B15R1.78 CCCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210326 [1,0,0,0,0,0|2,0,1]=4 287 B15R1.78 CCCCCC(=O)CSc1ccccc1 62a_100000719477_200012276598 [1,0,0,0,0,0|2,0,1]=4 288 B15R1.78 CCCCCC(=O)CSc1ccccc1 62a_200012276598_100000041952 [1,0,0,0,0,0|2,0,1]=4 289 B15R1.78 CCCCCC(=O)NCc1ccccc1 11a_100015324214_100000212188 [1,0,0,0,0,0|2,0,1]=4 290 B15R1.78 CCCCCC(=O)NCc1ccccc1 1626a_100015324214_100000212188 [1,0,0,0,0,0|2,0,1]=4 291 B15R1.78 CCCCCC(=O)NCc1ccccc1 240690a_100015324214_100000212188 [1,0,0,0,0,0|2,0,1]=4 292 B15R1.78 CCCCCC(=O)NCc1ccccc1 527a_100015324214_100000212188 [1,0,0,0,0,0|2,0,1]=4 293 B15R1.78 CCCCCC(=O)NNc1ccccc1 22a_100015195140_100000212188 [1,0,0,0,0,0|3,0,0]=4 294 B15R1.78 CCCCNC(=O)C#Cc1ccccc1 240690a_100000102301_100000736102 [1,0,0,0,0,0|1,0,2]=4 295 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 11a_100000102301_100000210462 [1,0,0,0,0,0|1,0,0]=2 296 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 1626a_100000102301_100000210462 [1,0,0,0,0,0|1,0,0]=2 297 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 11a_100000102301_100000740811 [1,0,0,0,0,0|2,0,0]=3 298 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 240690a_100000102301_100000740811 [1,0,0,0,0,0|2,0,0]=3 299 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 11a_100000102301_100000735890 [1,0,0,0,0,0|2,0,0]=3 300 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 240690a_100000102301_100000735890 [1,0,0,0,0,0|2,0,0]=3 301 B15R1.78 CCCCNC(=O)C=Cc1ccncc1 240690a_100000102301_100000682801 [1,0,0,0,0,0|2,0,0]=3 302 B15R1.78 CCCCNC(=O)CCc1ccccc1 11a_100000102301_100000185753 [1,0,0,0,0,0|1,0,2]=4 303 B15R1.78 CCCCNC(=O)CCc1ccccc1 1626a_100000102301_100000185753 [1,0,0,0,0,0|1,0,2]=4 304 B15R1.78 CCCCNC(=O)CCc1ccccc1 240690a_100000102301_100000185753 [1,0,0,0,0,0|1,0,2]=4 305 B15R1.78 CCCCNC(=O)CCc1ccccc1 527a_100000102301_100000185753 [1,0,0,0,0,0|1,0,2]=4 306 B15R1.78 CCCCNC(=O)CNc1ccccc1 34a_100000106764_100000182744 [1,0,0,0,0,0|2,0,1]=4 307 B15R1.78 CCCCNC(=O)COc1ccccc1 11a_100000102301_100000186222 [1,0,0,0,0,0|2,0,1]=4 308 B15R1.78 CCCCNC(=O)COc1ccccc1 1626a_100000102301_100000186222 [1,0,0,0,0,0|2,0,1]=4 309 B15R1.78 CCCCNC(=O)COc1ccccc1 240690a_100000102301_100000186222 [1,0,0,0,0,0|2,0,1]=4 310 B15R1.78 CCCCNC(=O)COc1ccccc1 34a_100000210340_100000182744 [1,0,0,0,0,0|2,0,1]=4 311 B15R1.78 CCCCNC(=O)COc1ccccc1 527a_100000102301_100000186222 [1,0,0,0,0,0|2,0,1]=4 312 B15R1.78 CCCCNC(=O)COc1ccccc1 7a_100000210340_100000182744 [1,0,0,0,0,0|2,0,1]=4 313 B15R1.78 CCCCNC(=O)CSc1ccccc1 11a_100000102301_100000211596 [1,0,0,0,0,0|2,0,1]=4 314 B15R1.78 CCCCNC(=O)CSc1ccccc1 1626a_100000102301_100000211596 [1,0,0,0,0,0|2,0,1]=4 315 B15R1.78 CCCCNC(=O)CSc1ccccc1 240690a_100000102301_100000211596 [1,0,0,0,0,0|2,0,1]=4 316 B15R1.78 CCCCNC(=O)CSc1ccccc1 527a_100000102301_100000211596 [1,0,0,0,0,0|2,0,1]=4 317 B15R1.78 CCCCNC(=O)CSc1ccccc1 62a_100000182744_100000041952 [1,0,0,0,0,0|2,0,1]=4 318 B15R1.78 CCCCNC(=O)CSc1ccccc1 62a_100000719477_100000182744 [1,0,0,0,0,0|2,0,1]=4 319 B15R1.78 CCCCNC(=O)NCc1ccccc1 2708a_100000102301_100015324214 [1,0,0,0,0,0|2,0,1]=4 320 B15R1.78 CCCCNC(=O)NCc1ccccc1 2708a_100015324214_100000102301 [1,0,0,0,0,0|2,0,1]=4 321 B15R1.78 CCCCNC(=O)NCc1ccccc1 273464a_100000102301_100015324214 [1,0,0,0,0,0|2,0,1]=4 322 B15R1.78 CCCCNC(=O)NCc1ccccc1 273464a_100015324214_100000102301 [1,0,0,0,0,0|2,0,1]=4 323 B15R1.78 CCCCNC(=O)NCc1ccccc1 512a_100000102301_100015324214 [1,0,0,0,0,0|2,0,1]=4 324 B15R1.78 CCCCNC(=O)NCc1ccccc1 512a_100015324214_100000102301 [1,0,0,0,0,0|2,0,1]=4 325 B15R1.78 CCCCNC(=O)NNc1ccccc1 273464a_100000102301_100015195140 [1,0,0,0,0,0|3,0,0]=4 326 B15R1.78 CCCCNC(=O)NNc1ccccc1 512a_100000102301_100015195140 [1,0,0,0,0,0|3,0,0]=4 327 B15R1.78 CCCCOC(=O)CNc1ccccc1 34a_100000106764_100000211628 [1,0,0,0,0,0|1,0,1]=3 328 B15R1.78 CCCCOC(=O)COc1ccccc1 34a_100000210340_100000211628 [1,0,0,0,0,0|1,0,1]=3 329 B15R1.78 CCCCOC(=O)COc1ccccc1 7a_100000210340_100000211628 [1,0,0,0,0,0|1,0,1]=3 330 B15R1.78 CCCCOC(=O)COc1cccnc1 34a_100000210849_100000211628 [1,0,0,0,0,0|2,0,1]=4 331 B15R1.78 CCCCOC(=O)COc1cccnc1 7a_100000210849_100000211628 [1,0,0,0,0,0|2,0,1]=4 332 B15R1.78 CCCCOC(=O)COc1ccncc1 34a_100000212176_100000211628 [1,0,0,0,0,0|2,0,1]=4 333 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000211628_100000041952 [1,0,0,0,0,0|1,0,1]=3 334 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000719477_100000211628 [1,0,0,0,0,0|1,0,1]=3 335 B15R1.78 CCCCOC(=O)CSc1ccccn1 62a_100000211628_100011216584 [1,0,0,0,0,0|2,0,1]=4 336 B15R1.78 CCCCOC(=O)CSc1ccccn1 62a_100011216584_100000211628 [1,0,0,0,0,0|2,0,1]=4 337 B15R1.78 CCCCOC(=O)CSc1cccnc1 62a_100000210063_100000211628 [1,0,0,0,0,0|2,0,1]=4 338 B15R1.78 CCCCOC(=O)CSc1cccnc1 62a_100000211628_100000210063 [1,0,0,0,0,0|2,0,1]=4 339 B15R1.78 CCCCOC(=O)CSc1ccncc1 62a_100000211628_100000728582 [1,0,0,0,0,0|2,0,1]=4 340 B15R1.78 CCCCOC(=O)CSc1ccncc1 62a_100000728582_100000211628 [1,0,0,0,0,0|2,0,1]=4 341 B15R1.78 CCCNN=C(C)C=Cc1ccccc1 4a_100000740057_100000204604 [1,0,0,0,0,0|3,0,0]=4 342 B15R1.78 CCCNNC(=O)C=Cc1ccccc1 22a_100000740057_100000210462 [1,0,0,0,0,0|2,0,0]=3 343 B15R1.78 CCCNNC(=O)C=Cc1ccccn1 22a_100000740057_100000740811 [1,0,0,0,0,0|3,0,0]=4 344 B15R1.78 CCCNNC(=O)C=Cc1cccnc1 22a_100000740057_100000735890 [1,0,0,0,0,0|3,0,0]=4 345 B15R1.78 CCCNNC(=O)C=Cc1ccncc1 22a_100000740057_100000682801 [1,0,0,0,0,0|3,0,0]=4 346 B15R1.78 CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215890 [1,0,0,0,0,0|2,0,0]=3 347 B15R1.78 CCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215890 [1,0,0,0,0,0|3,0,0]=4 348 B15R1.78 CCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215890 [1,0,0,0,0,0|3,0,0]=4 349 B15R1.78 CCOCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215890 [1,0,0,0,0,0|3,0,0]=4 350 B15R1.78 CCSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757381 [1,0,0,0,0,0|2,0,0]=3 351 B15R1.78 CCSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000757381 [1,0,0,0,0,0|3,0,0]=4 352 B15R1.78 CCSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000757381 [1,0,0,0,0,0|3,0,0]=4 353 B15R1.78 CCSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000757381 [1,0,0,0,0,0|3,0,0]=4 354 B15R1.78 COCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000740836 [1,0,0,0,0,0|2,0,0]=3 355 B15R1.78 COCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000740836 [1,0,0,0,0,0|3,0,0]=4 356 B15R1.78 COCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000740836 [1,0,0,0,0,0|3,0,0]=4 357 B15R1.78 COCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000740836 [1,0,0,0,0,0|3,0,0]=4 358 B15R1.78 COCCNC(=O)C=Cc1ccccc1 1626a_100000209980_100000210462 [1,0,0,0,0,0|2,0,0]=3 359 B15R1.78 COCCNC(=O)C=Cc1ccccn1 240690a_100000209980_100000740811 [1,0,0,0,0,0|3,0,0]=4 360 B15R1.78 COCCNC(=O)C=Cc1cccnc1 240690a_100000209980_100000735890 [1,0,0,0,0,0|3,0,0]=4 361 B15R1.78 COCCNC(=O)C=Cc1ccncc1 240690a_100000209980_100000682801 [1,0,0,0,0,0|3,0,0]=4 362 B15R1.78 COCCOC(=O)CNc1ccccc1 34a_100000106764_200000040189 [1,0,0,0,0,0|2,0,1]=4 363 B15R1.78 COCCOC(=O)COc1ccccc1 34a_100000210340_200000040189 [1,0,0,0,0,0|2,0,1]=4 364 B15R1.78 COCCOC(=O)COc1ccccc1 7a_100000210340_200000040189 [1,0,0,0,0,0|2,0,1]=4 365 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_100000719477_200000040189 [1,0,0,0,0,0|2,0,1]=4 366 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_200000040189_100000041952 [1,0,0,0,0,0|2,0,1]=4 367 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 11a_100020590264_100000210462 [1,0,0,0,0,0|2,0,0]=3 368 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 1626a_100020590264_100000210462 [1,0,0,0,0,0|2,0,0]=3 369 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 11a_100020590264_100000740811 [1,0,0,0,0,0|3,0,0]=4 370 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 240690a_100020590264_100000740811 [1,0,0,0,0,0|3,0,0]=4 371 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 11a_100020590264_100000735890 [1,0,0,0,0,0|3,0,0]=4 372 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 240690a_100020590264_100000735890 [1,0,0,0,0,0|3,0,0]=4 373 B15R1.78 CSCCNC(=O)C=Cc1ccncc1 240690a_100020590264_100000682801 [1,0,0,0,0,0|3,0,0]=4 374 B15R1.78 N#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211468 [1,0,0,0,0,0|2,0,1]=4 375 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 11a_100000720768_100000210462 [1,0,0,0,0,0|2,0,1]=4 376 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 1626a_100000720768_100000210462 [1,0,0,0,0,0|2,0,1]=4 377 B15R1.78 O=C(C=Cc1ccccc1)CCCCF 1458a_100000210462_100000729493 [1,0,0,0,0,0|2,0,0]=3 378 B15R1.78 O=C(C=Cc1ccccc1)CCCCO 1458a_100000210462_100000210776 [1,0,0,0,0,0|2,0,0]=3 379 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 11a_100015189416_100000210462 [1,0,0,0,0,0|2,0,0]=3 380 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 1626a_100015189416_100000210462 [1,0,0,0,0,0|2,0,0]=3 381 B15R1.78 O=C(C=Cc1ccccc1)NNCCO 22a_100000210001_100000210462 [1,0,0,0,0,0|3,0,0]=4 382 B15R1.78 O=C(C=Cc1ccccn1)CCCCF 1458a_100000740811_100000729493 [1,0,0,0,0,0|3,0,0]=4 383 B15R1.78 O=C(C=Cc1ccccn1)CCCCO 1458a_100000740811_100000210776 [1,0,0,0,0,0|3,0,0]=4 384 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 11a_100015189416_100000740811 [1,0,0,0,0,0|3,0,0]=4 385 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 240690a_100015189416_100000740811 [1,0,0,0,0,0|3,0,0]=4 386 B15R1.78 O=C(C=Cc1ccccn1)NCCCO 240690a_100000182051_100000740811 [1,0,0,0,0,0|3,0,0]=4 387 B15R1.78 O=C(C=Cc1cccnc1)CCCCF 1458a_100000735890_100000729493 [1,0,0,0,0,0|3,0,0]=4 388 B15R1.78 O=C(C=Cc1cccnc1)CCCCO 1458a_100000735890_100000210776 [1,0,0,0,0,0|3,0,0]=4 389 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 11a_100015189416_100000735890 [1,0,0,0,0,0|3,0,0]=4 390 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 240690a_100015189416_100000735890 [1,0,0,0,0,0|3,0,0]=4 391 B15R1.78 O=C(C=Cc1cccnc1)NCCCO 240690a_100000182051_100000735890 [1,0,0,0,0,0|3,0,0]=4 392 B15R1.78 O=C(C=Cc1ccncc1)CCCCF 1458a_100000682801_100000729493 [1,0,0,0,0,0|3,0,0]=4 393 B15R1.78 O=C(C=Cc1ccncc1)CCCCO 1458a_100000682801_100000210776 [1,0,0,0,0,0|3,0,0]=4 394 B15R1.78 O=C(C=Cc1ccncc1)NCCCF 240690a_100015189416_100000682801 [1,0,0,0,0,0|3,0,0]=4 395 B15R1.78 O=C(C=Cc1ccncc1)NCCCO 240690a_100000182051_100000682801 [1,0,0,0,0,0|3,0,0]=4 396 B15R1.504 C=C(C)CCOC/C=C/c1ccccc1 34a_100000210256_100000730704 [1,0,0,0,0,0|0,0,3]=4 397 B15R1.504 C=C(C)CCOC/C=C/c1ccccc1 34a_100000764851_100016265936 [1,0,0,0,0,0|0,0,3]=4 398 B15R1.504 CC(=CCOC/C=C/c1ccccc1)C 34a_100000210256_100000761012 [1,0,0,0,0,0|0,0,3]=4 399 B15R1.504 CC(=CCOC/C=C/c1ccccc1)C 34a_100000753907_100016265936 [1,0,0,0,0,0|0,0,3]=4 400 B15R1.504 CC(=O)CCOC/C=C/c1ccccc1 34a_100000759926_100016265936 [1,0,0,0,0,0|1,0,2]=4 401 B15R1.504 CC(=O)CCOC/C=C/c1ccccc1 7a_100000759926_100016265936 [1,0,0,0,0,0|1,0,2]=4 402 B15R1.504 CC(Br)CCOC/C=C/c1ccccc1 34a_100009893172_100016265936 [1,0,0,0,0,0|1,0,1]=3 403 B15R1.504 CC(C)CCNC/C=C/c1ccccc1 2230a_100020603302_100000210312 [1,0,0,0,0,0|1,0,1]=3 404 B15R1.504 CC(C)CCNC/C=C/c1ccccc1 34a_100020603302_100000210312 [1,0,0,0,0,0|1,0,1]=3 405 B15R1.504 CC(C)CCNCC=Cc1ccccc1 270004a_100000210545_100000210105 [1,0,0,0,0,0|1,0,1]=3 406 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 34a_100000210254_100016265936 [1,0,0,0,0,0|0,0,1]=2 407 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 34a_100000210256_100000210312 [1,0,0,0,0,0|0,0,1]=2 408 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 7a_100000210254_100016265936 [1,0,0,0,0,0|0,0,1]=2 409 B15R1.504 CC(C)CCOC/C=C/c1cccnc1 34a_200102594124_100000210312 [1,0,0,0,0,0|1,0,1]=3 410 B15R1.504 CC(C)CCOCC#Cc1ccccc1 34a_100000210254_100011352542 [1,0,0,0,0,0|0,0,3]=4 411 B15R1.504 CC(C)CCOCC#Cc1ccccc1 34a_100011217464_100000210312 [1,0,0,0,0,0|0,0,3]=4 412 B15R1.504 CC(C)CCOCC#Cc1ccccc1 7a_100000210254_100011352542 [1,0,0,0,0,0|0,0,3]=4 413 B15R1.504 CC(C)CCOCC#Cc1ccccc1 7a_100011217464_100000210626 [1,0,0,0,0,0|0,0,3]=4 414 B15R1.504 CC(C)CCOCCCc1ccccc1 34a_100000210254_100000211621 [1,0,0,0,0,0|0,0,3]=4 415 B15R1.504 CC(C)CCOCCCc1ccccc1 34a_100000210828_100000210312 [1,0,0,0,0,0|0,0,3]=4 416 B15R1.504 CC(C)CCOCCCc1ccccc1 7a_100000210254_100000211621 [1,0,0,0,0,0|0,0,3]=4 417 B15R1.504 CC(C)CCOCCCc1ccccc1 7a_100000210828_100000210626 [1,0,0,0,0,0|0,0,3]=4 418 B15R1.504 CC(C)CCOCCNc1ccccc1 34a_100000211345_100000210312 [1,0,0,0,0,0|1,0,2]=4 419 B15R1.504 CC(C)CCOCCOc1ccccc1 34a_100000210254_100000184471 [1,0,0,0,0,0|1,0,2]=4 420 B15R1.504 CC(C)CCOCCOc1ccccc1 34a_100000210260_100000210312 [1,0,0,0,0,0|1,0,2]=4 421 B15R1.504 CC(C)CCOCCOc1ccccc1 7a_100000210254_100000184471 [1,0,0,0,0,0|1,0,2]=4 422 B15R1.504 CC(C)CCOCCOc1ccccc1 7a_100000210260_100000210626 [1,0,0,0,0,0|1,0,2]=4 423 B15R1.504 CC(C)CCOCCSc1ccccc1 34a_100000210254_100000246102 [1,0,0,0,0,0|1,0,2]=4 424 B15R1.504 CC(C)CCOCCSc1ccccc1 7a_100000210254_100000246102 [1,0,0,0,0,0|1,0,2]=4 425 B15R1.504 CC(C)CCOCCSc1ccccc1 7a_100000230494_100000210626 [1,0,0,0,0,0|1,0,2]=4 426 B15R1.504 CC(C)CCOCOCc1ccccc1 34a_100000210254_100000763385 [1,0,0,0,0,0|1,0,2]=4 427 B15R1.504 CC(C)CCOCSCc1ccccc1 34a_100000210254_200011217039 [1,0,0,0,0,0|1,0,2]=4 428 B15R1.504 CC(C)CCSC/C=C/c1ccccc1 62a_100000210312_100016265936 [1,0,0,0,0,0|0,1,1]=3 429 B15R1.504 CC(C)CCSC/C=C/c1ccccc1 62a_100016265936_100000210312 [1,0,0,0,0,0|0,1,1]=3 430 B15R1.504 CC(C)OCNC/C=C/c1ccccc1 2230a_100020603302_100000709892 [1,0,0,0,0,0|2,0,1]=4 431 B15R1.504 CC(C)OCNC/C=C/c1ccccc1 34a_100020603302_100000709892 [1,0,0,0,0,0|2,0,1]=4 432 B15R1.504 CC(C)OCOC/C=C/c1ccccc1 34a_100000210256_100000709892 [1,0,0,0,0,0|1,0,1]=3 433 B15R1.504 CC(C)OCOC/C=C/c1cccnc1 34a_200102594124_100000709892 [1,0,0,0,0,0|2,0,1]=4 434 B15R1.504 CC(C)OCSC/C=C/c1ccccc1 62a_100000709892_100016265936 [1,0,0,0,0,0|1,1,1]=4 435 B15R1.504 CC(C)OCSC/C=C/c1ccccc1 62a_100016265936_100000709892 [1,0,0,0,0,0|1,1,1]=4 436 B15R1.504 CC(O)CCNC/C=C/c1ccccc1 2230a_100020603302_100012276601 [1,0,0,0,0,0|2,0,1]=4 437 B15R1.504 CC(O)CCNC/C=C/c1ccccc1 2230a_200000755665_100016265936 [1,0,0,0,0,0|2,0,1]=4 438 B15R1.504 CC(O)CCNC/C=C/c1ccccc1 34a_100020603302_100012276601 [1,0,0,0,0,0|2,0,1]=4 439 B15R1.504 CC(O)CCNCC=Cc1ccccc1 270004a_200000755665_100000210105 [1,0,0,0,0,0|2,0,1]=4 440 B15R1.504 CC(O)CCOC/C=C/c1ccccc1 34a_100000210256_100012276601 [1,0,0,0,0,0|1,0,1]=3 441 B15R1.504 CC(O)CCOC/C=C/c1cccnc1 34a_200102594124_100012276601 [1,0,0,0,0,0|2,0,1]=4 442 B15R1.504 CC(O)CCSC/C=C/c1ccccc1 62a_100012276601_100016265936 [1,0,0,0,0,0|1,1,1]=4 443 B15R1.504 CC(O)CCSC/C=C/c1ccccc1 62a_100016265936_100012276601 [1,0,0,0,0,0|1,1,1]=4 444 B15R1.504 CC(O)CNN=CC=Cc1ccccc1 4a_200000730056_100000210105 [1,0,0,0,0,0|3,0,0]=4 445 B15R1.504 CN(C)CCNCC=Cc1ccccc1 270004a_100000210585_100000210105 [1,0,0,0,0,0|2,0,1]=4 446 B15R1.504 CN(C)CCSC/C=C/c1ccccc1 62a_100016265936_100000755713 [1,0,0,0,0,0|1,1,1]=4 447 B15R1.504 C[C@@H](N)CCOC/C=C/c1ccccc1 34a_100000706166_100016265936 [1,0,0,0,0,0|1,0,1]=3 448 B15R1.504 FC(F)CCOC/C=C/c1ccccc1 34a_100103093639_100016265936 [1,0,0,0,0,0|2,0,1]=4 449 B17R1.675 CC(=CC(=O)CCCC(C)C)c1ccccc1 1458a_100000743005_100011214892 [0,1,0,0,0,0|1,0,0]=2 450 B17R1.675 CC(=CC(=O)CCCC(C)O)c1ccccc1 1458a_100000743005_200000718107 [0,1,0,0,0,0|2,0,0]=3 451 B17R1.675 CC(=CC(=O)CCCN(C)C)c1ccccc1 1458a_100000743005_100000695564 [0,1,0,0,0,0|2,0,0]=3 452 B17R1.675 CC(=CC(=O)CCOC(C)C)c1ccccc1 1458a_100000743005_100000211751 [0,1,0,0,0,0|2,0,0]=3 453 B17R1.675 CC(=CC(=O)CCSC(C)C)c1ccccc1 1458a_100000743005_100000730970 [0,1,0,0,0,0|2,0,0]=3 454 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 11a_100000210545_100000743005 [0,1,0,0,0,0|1,0,0]=2 455 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 1626a_100000210545_100000743005 [0,1,0,0,0,0|1,0,0]=2 456 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 240690a_100000210545_100000743005 [0,1,0,0,0,0|1,0,0]=2 457 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 527a_100000210545_100000743005 [0,1,0,0,0,0|1,0,0]=2 458 B17R1.675 CC(=CC(=O)NCCC(C)O)c1ccccc1 240690a_200000755665_100000743005 [0,1,0,0,0,0|2,0,0]=3 459 B17R1.675 CC(=CC(=O)NCCC(C)O)c1ccccc1 527a_200000755665_100000743005 [0,1,0,0,0,0|2,0,0]=3 460 B17R1.675 CC(=CC(=O)NCCN(C)C)c1ccccc1 240690a_100000210585_100000743005 [0,1,0,0,0,0|2,0,0]=3 461 B17R1.675 CC(=CC(=O)NCCN(C)C)c1ccccc1 527a_100000210585_100000743005 [0,1,0,0,0,0|2,0,0]=3 462 B17R1.675 CC(=CC(=O)NNCC(C)C)c1ccccc1 22a_100000696102_100000743005 [0,1,0,0,0,0|2,0,0]=3 463 B17R1.675 CC(=CC(=O)NNCC(C)O)c1ccccc1 22a_200000730056_100000743005 [0,1,0,0,0,0|3,0,0]=4 464 B17R1.675 CC(=CCCC(=O)C=C(C)c1ccccc1)C 1458a_100000743005_100011217483 [0,1,0,0,0,0|1,0,2]=4 465 B17R1.675 CC(=CCNC(=O)C=C(C)c1ccccc1)C 11a_100000718196_100000743005 [0,1,0,0,0,0|1,0,2]=4 466 B17R1.675 CC(=CCNC(=O)C=C(C)c1ccccc1)C 1626a_100000718196_100000743005 [0,1,0,0,0,0|1,0,2]=4 467 B17R1.675 CC(=CCNC(=O)C=C(C)c1ccccc1)C 527a_100000718196_100000743005 [0,1,0,0,0,0|1,0,2]=4 468 B17R1.675 CC(=O)CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011215641 [0,1,0,0,0,0|2,0,1]=4 469 B17R1.675 CC(C)CCCC(=O)CC(=O)c1ccccc1 1458a_100011216857_100000211460 [0,1,0,0,0,0|1,0,1]=3 470 B17R1.675 CC(C)CCCC(=O)CC(=O)c1ccccn1 1458a_100011216857_100000027445 [0,1,0,0,0,0|2,0,1]=4 471 B17R1.675 CC(C)CCCC(=O)CC(=O)c1cccnc1 1458a_100011216857_100015188593 [0,1,0,0,0,0|2,0,1]=4 472 B17R1.675 CC(C)CCCC(=O)CC(=O)c1ccncc1 1458a_100011216857_100000027454 [0,1,0,0,0,0|2,0,1]=4 473 B17R1.675 CC(C)CCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100011214892 [0,1,0,0,0,0|1,0,2]=4 474 B17R1.675 CC(C)CCCC(=O)CC(C)c1ccccc1 1458a_100011216857_100000756946 [0,1,0,0,0,0|1,0,2]=4 475 B17R1.675 CC(C)CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100011214892 [0,1,0,0,0,0|1,0,2]=4 476 B17R1.675 CC(C)CCCC(=O)CC(O)c1ccccc1 1458a_100011216857_100000185958 [0,1,0,0,0,0|1,0,2]=4 477 B17R1.675 CC(C)CCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100011214892 [0,1,0,0,0,0|2,0,1]=4 478 B17R1.675 CC(C)CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100011216857_100011933945 [0,1,0,0,0,0|1,0,2]=4 479 B17R1.675 CC(C)CCCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100011216857 [0,1,0,0,0,0|2,0,1]=4 480 B17R1.675 CC(C)CCCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100011216857 [0,1,0,0,0,0|2,0,1]=4 481 B17R1.675 CC(C)CCCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100011216857 [0,1,0,0,0,0|2,0,1]=4 482 B17R1.675 CC(C)CCCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100011216857 [0,1,0,0,0,0|2,0,1]=4 483 B17R1.675 CC(C)CCNC(=O)CC(C)c1ccccc1 11a_100000210545_100000183687 [0,1,0,0,0,0|1,0,2]=4 484 B17R1.675 CC(C)CCNC(=O)CC(C)c1ccccc1 1626a_100000210545_100000183687 [0,1,0,0,0,0|1,0,2]=4 485 B17R1.675 CC(C)CCNC(=O)CC(C)c1ccccc1 240690a_100000210545_100000183687 [0,1,0,0,0,0|1,0,2]=4 486 B17R1.675 CC(C)CCNC(=O)CC(C)c1ccccc1 527a_100000210545_100000183687 [0,1,0,0,0,0|1,0,2]=4 487 B17R1.675 CC(C)CCNC(=O)CC(O)c1ccccc1 240690a_100000210545_100000690199 [0,1,0,0,0,0|1,0,2]=4 488 B17R1.675 CC(C)CCNC(=O)CN(C)c1ccccc1 240690a_100000210545_100000745425 [0,1,0,0,0,0|2,0,1]=4 489 B17R1.675 CC(C)CCNC(=O)CN(C)c1ccccc1 527a_100000210545_100000745425 [0,1,0,0,0,0|2,0,1]=4 490 B17R1.675 CC(C)CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000210545_100000751104 [0,1,0,0,0,0|2,0,1]=4 491 B17R1.675 CC(C)CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100000210545 [0,1,0,0,0,0|2,0,1]=4 492 B17R1.675 CC(C)CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000210545_100000751104 [0,1,0,0,0,0|2,0,1]=4 493 B17R1.675 CC(C)CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100000210545 [0,1,0,0,0,0|2,0,1]=4 494 B17R1.675 CC(C)CCNC(=O)N[C@H](C)c1ccccc1 512a_100000210545_100000751104 [0,1,0,0,0,0|2,0,1]=4 495 B17R1.675 CC(C)CCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100000210545 [0,1,0,0,0,0|2,0,1]=4 496 B17R1.675 CC(C)COCC(=O)CC(=O)c1ccccc1 1458a_100011223364_100000211460 [0,1,0,0,0,0|2,0,1]=4 497 B17R1.675 CC(C)CSCC(=O)NC(=O)c1ccccc1 62a_100000210624_100000010347 [0,1,0,0,0,0|3,0,0]=4 498 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)Br)C 1458a_100016267368_100011217483 [0,1,0,0,0,0|1,0,2]=4 499 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)C)C 1458a_100000716854_100011217483 [0,1,0,0,0,0|1,0,2]=4 500 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)Cl)C 1458a_100000184863_100011217483 [0,1,0,0,0,0|1,0,2]=4 501 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)F)C 1458a_100000182136_100011217483 [0,1,0,0,0,0|1,0,2]=4 502 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)I)C 1458a_100102526154_100011217483 [0,1,0,0,0,0|1,0,2]=4 503 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)Br)C 11a_100000718196_100016267368 [0,1,0,0,0,0|1,0,2]=4 504 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)Br)C 1626a_100000718196_100016267368 [0,1,0,0,0,0|1,0,2]=4 505 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)C)C 11a_100000718196_100000716854 [0,1,0,0,0,0|1,0,2]=4 506 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)C)C 1626a_100000718196_100000716854 [0,1,0,0,0,0|1,0,2]=4 507 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)Cl)C 11a_100000718196_100000184863 [0,1,0,0,0,0|1,0,2]=4 508 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)Cl)C 1626a_100000718196_100000184863 [0,1,0,0,0,0|1,0,2]=4 509 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)F)C 11a_100000718196_100000182136 [0,1,0,0,0,0|1,0,2]=4 510 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)F)C 1626a_100000718196_100000182136 [0,1,0,0,0,0|1,0,2]=4 511 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)I)C 11a_100000718196_100102526154 [0,1,0,0,0,0|1,0,2]=4 512 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)I)C 1626a_100000718196_100102526154 [0,1,0,0,0,0|1,0,2]=4 513 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215641 [0,1,0,0,0,0|2,0,1]=4 514 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011215641 [0,1,0,0,0,0|2,0,1]=4 515 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215641 [0,1,0,0,0,0|2,0,1]=4 516 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215641 [0,1,0,0,0,0|2,0,1]=4 517 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215641 [0,1,0,0,0,0|2,0,1]=4 518 B17R1.1079 CC(C)CCCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100011214892 [0,1,0,0,0,0|1,0,2]=4 519 B17R1.1079 CC(C)CCCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100011214892 [0,1,0,0,0,0|1,0,2]=4 520 B17R1.1079 CC(C)CCCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100011214892 [0,1,0,0,0,0|1,0,2]=4 521 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011214892 [0,1,0,0,0,0|1,0,0]=2 522 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000753411 [0,1,0,0,0,0|1,0,0]=2 523 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011214892 [0,1,0,0,0,0|1,0,0]=2 524 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011214892 [0,1,0,0,0,0|1,0,0]=2 525 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000753411 [0,1,0,0,0,0|1,0,0]=2 526 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011214892 [0,1,0,0,0,0|1,0,0]=2 527 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000753411 [0,1,0,0,0,0|1,0,0]=2 528 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000753411 [0,1,0,0,0,0|2,0,0]=3 529 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011214892 [0,1,0,0,0,0|2,0,0]=3 530 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000753411 [0,1,0,0,0,0|2,0,0]=3 531 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011214892 [0,1,0,0,0,0|2,0,0]=3 532 B17R1.1079 CC(C)CCCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100000753411 [0,1,0,0,0,0|3,0,0]=4 533 B17R1.1079 CC(C)CCCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100011214892 [0,1,0,0,0,0|1,0,2]=4 534 B17R1.1079 CC(C)CCCC(=O)CCc1ccc(cc1)Br 1458a_100011216857_100011740612 [0,1,0,0,0,0|1,0,2]=4 535 B17R1.1079 CC(C)CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100011214892 [0,1,0,0,0,0|1,0,2]=4 536 B17R1.1079 CC(C)CCCC(=O)CCc1ccc(cc1)Cl 1458a_100011216857_100011713675 [0,1,0,0,0,0|1,0,2]=4 537 B17R1.1079 CC(C)CCCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100011214892 [0,1,0,0,0,0|1,0,2]=4 538 B17R1.1079 CC(C)CCCC(=O)CCc1ccc(cc1)F 1458a_100011216857_100011217392 [0,1,0,0,0,0|1,0,2]=4 539 B17R1.1079 CC(C)CCCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100011214892 [0,1,0,0,0,0|1,0,2]=4 540 B17R1.1079 CC(C)CCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100011214892 [0,1,0,0,0,0|1,0,2]=4 541 B17R1.1079 CC(C)CCCC(=O)CCc1ccc(cc1)O 1458a_100011216857_100009816426 [0,1,0,0,0,0|1,0,2]=4 542 B17R1.1079 CC(C)CCCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100011214892 [0,1,0,0,0,0|2,0,1]=4 543 B17R1.1079 CC(C)CCCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100011214892 [0,1,0,0,0,0|2,0,1]=4 544 B17R1.1079 CC(C)CCCC(=O)COc1ccc(cc1)F 1458a_100000184765_100011214892 [0,1,0,0,0,0|2,0,1]=4 545 B17R1.1079 CC(C)CCCC(=O)COc1ccc(cc1)I 1458a_100000184369_100011214892 [0,1,0,0,0,0|2,0,1]=4 546 B17R1.1079 CC(C)CCCC(=O)COc1ccc(cc1)O 1458a_100000031633_100011214892 [0,1,0,0,0,0|2,0,1]=4 547 B17R1.1079 CC(C)CCCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100011214892 [0,1,0,0,0,0|2,0,1]=4 548 B17R1.1079 CC(C)CCCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100011214892 [0,1,0,0,0,0|2,0,1]=4 549 B17R1.1079 CC(C)CCCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100011214892 [0,1,0,0,0,0|2,0,1]=4 550 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100011216857 [0,1,0,0,0,0|2,0,1]=4 551 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100011216857 [0,1,0,0,0,0|2,0,1]=4 552 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100011216857 [0,1,0,0,0,0|2,0,1]=4 553 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100011216857 [0,1,0,0,0,0|2,0,1]=4 554 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100011216857 [0,1,0,0,0,0|2,0,1]=4 555 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100011216857 [0,1,0,0,0,0|2,0,1]=4 556 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100011216857 [0,1,0,0,0,0|2,0,1]=4 557 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100011216857 [0,1,0,0,0,0|2,0,1]=4 558 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)F 11a_100000174882_100011216857 [0,1,0,0,0,0|2,0,1]=4 559 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100011216857 [0,1,0,0,0,0|2,0,1]=4 560 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100011216857 [0,1,0,0,0,0|2,0,1]=4 561 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)F 527a_100000174882_100011216857 [0,1,0,0,0,0|2,0,1]=4 562 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)I 11a_100016989417_100011216857 [0,1,0,0,0,0|2,0,1]=4 563 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100011216857 [0,1,0,0,0,0|2,0,1]=4 564 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100011216857 [0,1,0,0,0,0|2,0,1]=4 565 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)I 527a_100016989417_100011216857 [0,1,0,0,0,0|2,0,1]=4 566 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100011216857 [0,1,0,0,0,0|2,0,1]=4 567 B17R1.1079 CC(C)CCCC(=O)NCc1ccc(cc1)O 527a_100000185549_100011216857 [0,1,0,0,0,0|2,0,1]=4 568 B17R1.1079 CC(C)CCCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100011216857 [0,1,0,0,0,0|3,0,0]=4 569 B17R1.1079 CC(C)CCCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100011216857 [0,1,0,0,0,0|3,0,0]=4 570 B17R1.1079 CC(C)CCCC(=O)NNc1ccc(cc1)F 22a_100000728448_100011216857 [0,1,0,0,0,0|3,0,0]=4 571 B17R1.1079 CC(C)CCCC(=O)NNc1ccc(cc1)I 22a_100016988836_100011216857 [0,1,0,0,0,0|3,0,0]=4 572 B17R1.1079 CC(C)CCNC(=O)C#Cc1ccc(cc1)Cl 240690a_100000210545_100011892723 [0,1,0,0,0,0|1,0,2]=4 573 B17R1.1079 CC(C)CCNC(=O)C#Cc1ccc(cc1)F 240690a_100000210545_100000238512 [0,1,0,0,0,0|1,0,2]=4 574 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br 11a_100000210545_100016267368 [0,1,0,0,0,0|1,0,0]=2 575 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000210545_100016267368 [0,1,0,0,0,0|1,0,0]=2 576 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210545_100000184863 [0,1,0,0,0,0|1,0,0]=2 577 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000210545_100000184863 [0,1,0,0,0,0|1,0,0]=2 578 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210545_100000184863 [0,1,0,0,0,0|1,0,0]=2 579 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F 11a_100000210545_100000182136 [0,1,0,0,0,0|1,0,0]=2 580 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000210545_100000182136 [0,1,0,0,0,0|1,0,0]=2 581 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000210545_100000182136 [0,1,0,0,0,0|1,0,0]=2 582 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)I 11a_100000210545_100102526154 [0,1,0,0,0,0|1,0,0]=2 583 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000210545_100102526154 [0,1,0,0,0,0|1,0,0]=2 584 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000210545_100102526154 [0,1,0,0,0,0|1,0,0]=2 585 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000210545_100016269017 [0,1,0,0,0,0|1,0,0]=2 586 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cn1)F 11a_100000210545_100020630499 [0,1,0,0,0,0|2,0,0]=3 587 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cn1)F 1626a_100000210545_100020630499 [0,1,0,0,0,0|2,0,0]=3 588 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cn1)F 240690a_100000210545_100020630499 [0,1,0,0,0,0|2,0,0]=3 589 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(nc1)Br 11a_100000210545_100020588214 [0,1,0,0,0,0|2,0,0]=3 590 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000210545_100020588214 [0,1,0,0,0,0|2,0,0]=3 591 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000210545_100020588214 [0,1,0,0,0,0|2,0,0]=3 592 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Br 11a_100000210545_100000217147 [0,1,0,0,0,0|1,0,2]=4 593 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Br 1626a_100000210545_100000217147 [0,1,0,0,0,0|1,0,2]=4 594 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Br 240690a_100000210545_100000217147 [0,1,0,0,0,0|1,0,2]=4 595 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Br 527a_100000210545_100000217147 [0,1,0,0,0,0|1,0,2]=4 596 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Cl 11a_100000210545_100000235379 [0,1,0,0,0,0|1,0,2]=4 597 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Cl 1626a_100000210545_100000235379 [0,1,0,0,0,0|1,0,2]=4 598 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Cl 240690a_100000210545_100000235379 [0,1,0,0,0,0|1,0,2]=4 599 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)Cl 527a_100000210545_100000235379 [0,1,0,0,0,0|1,0,2]=4 600 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)F 11a_100000210545_100000198493 [0,1,0,0,0,0|1,0,2]=4 601 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)F 1626a_100000210545_100000198493 [0,1,0,0,0,0|1,0,2]=4 602 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)F 240690a_100000210545_100000198493 [0,1,0,0,0,0|1,0,2]=4 603 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)F 527a_100000210545_100000198493 [0,1,0,0,0,0|1,0,2]=4 604 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)I 11a_100000210545_100011217499 [0,1,0,0,0,0|1,0,2]=4 605 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)I 1626a_100000210545_100011217499 [0,1,0,0,0,0|1,0,2]=4 606 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)I 240690a_100000210545_100011217499 [0,1,0,0,0,0|1,0,2]=4 607 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)I 527a_100000210545_100011217499 [0,1,0,0,0,0|1,0,2]=4 608 B17R1.1079 CC(C)CCNC(=O)CCc1ccc(cc1)O 240690a_100000210545_100000742835 [0,1,0,0,0,0|1,0,2]=4 609 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)Br 11a_100000210545_100000182358 [0,1,0,0,0,0|2,0,1]=4 610 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)Br 1626a_100000210545_100000182358 [0,1,0,0,0,0|2,0,1]=4 611 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)Br 240690a_100000210545_100000182358 [0,1,0,0,0,0|2,0,1]=4 612 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)Br 527a_100000210545_100000182358 [0,1,0,0,0,0|2,0,1]=4 613 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)Cl 11a_100000210545_100016990877 [0,1,0,0,0,0|2,0,1]=4 614 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)Cl 1626a_100000210545_100016990877 [0,1,0,0,0,0|2,0,1]=4 615 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)Cl 240690a_100000210545_100016990877 [0,1,0,0,0,0|2,0,1]=4 616 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)Cl 527a_100000210545_100016990877 [0,1,0,0,0,0|2,0,1]=4 617 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)F 11a_100000210545_100000184765 [0,1,0,0,0,0|2,0,1]=4 618 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)F 1626a_100000210545_100000184765 [0,1,0,0,0,0|2,0,1]=4 619 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)F 240690a_100000210545_100000184765 [0,1,0,0,0,0|2,0,1]=4 620 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)F 527a_100000210545_100000184765 [0,1,0,0,0,0|2,0,1]=4 621 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)I 11a_100000210545_100000184369 [0,1,0,0,0,0|2,0,1]=4 622 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)I 1626a_100000210545_100000184369 [0,1,0,0,0,0|2,0,1]=4 623 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)I 240690a_100000210545_100000184369 [0,1,0,0,0,0|2,0,1]=4 624 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)I 527a_100000210545_100000184369 [0,1,0,0,0,0|2,0,1]=4 625 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)O 240690a_100000210545_100000031633 [0,1,0,0,0,0|2,0,1]=4 626 B17R1.1079 CC(C)CCNC(=O)COc1ccc(cc1)O 527a_100000210545_100000031633 [0,1,0,0,0,0|2,0,1]=4 627 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)Br 11a_100000210545_100000179496 [0,1,0,0,0,0|2,0,1]=4 628 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)Br 1626a_100000210545_100000179496 [0,1,0,0,0,0|2,0,1]=4 629 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)Br 240690a_100000210545_100000179496 [0,1,0,0,0,0|2,0,1]=4 630 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)Br 527a_100000210545_100000179496 [0,1,0,0,0,0|2,0,1]=4 631 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)Cl 11a_100000210545_100000178402 [0,1,0,0,0,0|2,0,1]=4 632 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)Cl 1626a_100000210545_100000178402 [0,1,0,0,0,0|2,0,1]=4 633 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)Cl 240690a_100000210545_100000178402 [0,1,0,0,0,0|2,0,1]=4 634 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)Cl 527a_100000210545_100000178402 [0,1,0,0,0,0|2,0,1]=4 635 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)F 11a_100000210545_100000691584 [0,1,0,0,0,0|2,0,1]=4 636 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)F 1626a_100000210545_100000691584 [0,1,0,0,0,0|2,0,1]=4 637 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)F 240690a_100000210545_100000691584 [0,1,0,0,0,0|2,0,1]=4 638 B17R1.1079 CC(C)CCNC(=O)CSc1ccc(cc1)F 527a_100000210545_100000691584 [0,1,0,0,0,0|2,0,1]=4 639 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100000210545 [0,1,0,0,0,0|2,0,1]=4 640 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Br 2708a_100000210545_100000174875 [0,1,0,0,0,0|2,0,1]=4 641 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100000210545 [0,1,0,0,0,0|2,0,1]=4 642 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Br 273464a_100000210545_100000174875 [0,1,0,0,0,0|2,0,1]=4 643 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100000210545 [0,1,0,0,0,0|2,0,1]=4 644 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Br 512a_100000210545_100000174875 [0,1,0,0,0,0|2,0,1]=4 645 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100000210545 [0,1,0,0,0,0|2,0,1]=4 646 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Cl 2708a_100000210545_100000174871 [0,1,0,0,0,0|2,0,1]=4 647 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100000210545 [0,1,0,0,0,0|2,0,1]=4 648 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Cl 273464a_100000210545_100000174871 [0,1,0,0,0,0|2,0,1]=4 649 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)Cl 512a_100000210545_100000174871 [0,1,0,0,0,0|2,0,1]=4 650 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100000210545 [0,1,0,0,0,0|2,0,1]=4 651 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)F 2708a_100000210545_100000174882 [0,1,0,0,0,0|2,0,1]=4 652 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100000210545 [0,1,0,0,0,0|2,0,1]=4 653 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)F 273464a_100000210545_100000174882 [0,1,0,0,0,0|2,0,1]=4 654 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)F 512a_100000174882_100000210545 [0,1,0,0,0,0|2,0,1]=4 655 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)F 512a_100000210545_100000174882 [0,1,0,0,0,0|2,0,1]=4 656 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)I 2708a_100000210545_100016989417 [0,1,0,0,0,0|2,0,1]=4 657 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100000210545 [0,1,0,0,0,0|2,0,1]=4 658 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)I 273464a_100000210545_100016989417 [0,1,0,0,0,0|2,0,1]=4 659 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100000210545 [0,1,0,0,0,0|2,0,1]=4 660 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)I 512a_100000210545_100016989417 [0,1,0,0,0,0|2,0,1]=4 661 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)I 512a_100016989417_100000210545 [0,1,0,0,0,0|2,0,1]=4 662 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100000210545 [0,1,0,0,0,0|2,0,1]=4 663 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)O 2708a_100000210545_100000185549 [0,1,0,0,0,0|2,0,1]=4 664 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100000210545 [0,1,0,0,0,0|2,0,1]=4 665 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)O 273464a_100000210545_100000185549 [0,1,0,0,0,0|2,0,1]=4 666 B17R1.1079 CC(C)CCNC(=O)NCc1ccc(cc1)O 512a_100000210545_100000185549 [0,1,0,0,0,0|2,0,1]=4 667 B17R1.1079 CC(C)CCNC(=O)NNc1ccc(cc1)Br 273464a_100000210545_100000735608 [0,1,0,0,0,0|3,0,0]=4 668 B17R1.1079 CC(C)CCNC(=O)NNc1ccc(cc1)Br 512a_100000210545_100000735608 [0,1,0,0,0,0|3,0,0]=4 669 B17R1.1079 CC(C)CCNC(=O)NNc1ccc(cc1)Cl 273464a_100000210545_100000683521 [0,1,0,0,0,0|3,0,0]=4 670 B17R1.1079 CC(C)CCNC(=O)NNc1ccc(cc1)Cl 512a_100000210545_100000683521 [0,1,0,0,0,0|3,0,0]=4 671 B17R1.1079 CC(C)CCNC(=O)NNc1ccc(cc1)F 273464a_100000210545_100000728448 [0,1,0,0,0,0|3,0,0]=4 672 B17R1.1079 CC(C)CCNC(=O)NNc1ccc(cc1)F 512a_100000210545_100000728448 [0,1,0,0,0,0|3,0,0]=4 673 B17R1.1079 CC(C)CCNC(=O)NNc1ccc(cc1)I 273464a_100000210545_100016988836 [0,1,0,0,0,0|3,0,0]=4 674 B17R1.1079 CC(C)CCNC(=O)NNc1ccc(cc1)I 512a_100000210545_100016988836 [0,1,0,0,0,0|3,0,0]=4 675 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)Br 22a_100000696102_100016267368 [0,1,0,0,0,0|2,0,0]=3 676 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000696102_100000184863 [0,1,0,0,0,0|2,0,0]=3 677 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)F 22a_100000696102_100000182136 [0,1,0,0,0,0|2,0,0]=3 678 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)I 22a_100000696102_100102526154 [0,1,0,0,0,0|2,0,0]=3 679 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)O 22a_100000696102_100016269017 [0,1,0,0,0,0|2,0,0]=3 680 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cn1)F 22a_100000696102_100020630499 [0,1,0,0,0,0|3,0,0]=4 681 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(nc1)Br 22a_100000696102_100020588214 [0,1,0,0,0,0|3,0,0]=4 682 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000211751 [0,1,0,0,0,0|2,0,0]=3 683 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011219172 [0,1,0,0,0,0|2,0,0]=3 684 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000211751 [0,1,0,0,0,0|2,0,0]=3 685 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000211751 [0,1,0,0,0,0|2,0,0]=3 686 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011219172 [0,1,0,0,0,0|2,0,0]=3 687 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000211751 [0,1,0,0,0,0|2,0,0]=3 688 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011219172 [0,1,0,0,0,0|2,0,0]=3 689 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_200011219172 [0,1,0,0,0,0|3,0,0]=4 690 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000211751 [0,1,0,0,0,0|3,0,0]=4 691 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_200011219172 [0,1,0,0,0,0|3,0,0]=4 692 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000211751 [0,1,0,0,0,0|3,0,0]=4 693 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000730970 [0,1,0,0,0,0|2,0,0]=3 694 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000730970 [0,1,0,0,0,0|2,0,0]=3 695 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000730970 [0,1,0,0,0,0|2,0,0]=3 696 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000730970 [0,1,0,0,0,0|2,0,0]=3 697 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000730970 [0,1,0,0,0,0|3,0,0]=4 698 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000730970 [0,1,0,0,0,0|3,0,0]=4 699 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000718107 [0,1,0,0,0,0|2,0,0]=3 700 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000718107 [0,1,0,0,0,0|2,0,0]=3 701 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000718107 [0,1,0,0,0,0|2,0,0]=3 702 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000718107 [0,1,0,0,0,0|2,0,0]=3 703 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000718107 [0,1,0,0,0,0|3,0,0]=4 704 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000718107 [0,1,0,0,0,0|3,0,0]=4 705 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_200000755665_100000184863 [0,1,0,0,0,0|2,0,0]=3 706 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)F 240690a_200000755665_100000182136 [0,1,0,0,0,0|2,0,0]=3 707 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)I 240690a_200000755665_100102526154 [0,1,0,0,0,0|2,0,0]=3 708 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)O 240690a_200000755665_100016269017 [0,1,0,0,0,0|2,0,0]=3 709 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cn1)F 240690a_200000755665_100020630499 [0,1,0,0,0,0|3,0,0]=4 710 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_200000755665_100020588214 [0,1,0,0,0,0|3,0,0]=4 711 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)Br 22a_200000730056_100016267368 [0,1,0,0,0,0|3,0,0]=4 712 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)Cl 22a_200000730056_100000184863 [0,1,0,0,0,0|3,0,0]=4 713 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)F 22a_200000730056_100000182136 [0,1,0,0,0,0|3,0,0]=4 714 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)I 22a_200000730056_100102526154 [0,1,0,0,0,0|3,0,0]=4 715 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)O 22a_200000730056_100016269017 [0,1,0,0,0,0|3,0,0]=4 716 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000695564 [0,1,0,0,0,0|2,0,0]=3 717 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000695564 [0,1,0,0,0,0|2,0,0]=3 718 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000695564 [0,1,0,0,0,0|2,0,0]=3 719 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000695564 [0,1,0,0,0,0|2,0,0]=3 720 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000695564 [0,1,0,0,0,0|3,0,0]=4 721 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000695564 [0,1,0,0,0,0|3,0,0]=4 722 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210585_100000184863 [0,1,0,0,0,0|2,0,0]=3 723 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000210585_100000182136 [0,1,0,0,0,0|2,0,0]=3 724 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000210585_100102526154 [0,1,0,0,0,0|2,0,0]=3 725 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000210585_100016269017 [0,1,0,0,0,0|2,0,0]=3 726 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cn1)F 240690a_100000210585_100020630499 [0,1,0,0,0,0|3,0,0]=4 727 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000210585_100020588214 [0,1,0,0,0,0|3,0,0]=4 728 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCCC(C)C 1458a_100000716854_100011214892 [0,1,0,0,0,0|1,0,0]=2 729 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCCC(C)O 1458a_100000716854_200000718107 [0,1,0,0,0,0|2,0,0]=3 730 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCCN(C)C 1458a_100000716854_100000695564 [0,1,0,0,0,0|2,0,0]=3 731 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCOC(C)C 1458a_100000716854_100000211751 [0,1,0,0,0,0|2,0,0]=3 732 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCSC(C)C 1458a_100000716854_100000730970 [0,1,0,0,0,0|2,0,0]=3 733 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C 11a_100000210545_100000716854 [0,1,0,0,0,0|1,0,0]=2 734 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C 1626a_100000210545_100000716854 [0,1,0,0,0,0|1,0,0]=2 735 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C 240690a_100000210545_100000716854 [0,1,0,0,0,0|1,0,0]=2 736 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)O 240690a_200000755665_100000716854 [0,1,0,0,0,0|2,0,0]=3 737 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCN(C)C 240690a_100000210585_100000716854 [0,1,0,0,0,0|2,0,0]=3 738 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NNCC(C)C 22a_100000696102_100000716854 [0,1,0,0,0,0|2,0,0]=3 739 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NNCC(C)O 22a_200000730056_100000716854 [0,1,0,0,0,0|3,0,0]=4 740 B17R1.1079 Cc1ccc(cc1)CCC(=O)CCCC(C)C 1458a_100000234883_100011214892 [0,1,0,0,0,0|1,0,2]=4 741 B17R1.1079 Cc1ccc(cc1)CCC(=O)CCCC(C)C 1458a_100011216857_100011713686 [0,1,0,0,0,0|1,0,2]=4 742 B17R1.1079 Cc1ccc(cc1)CCC(=O)NCCC(C)C 11a_100000210545_100000234883 [0,1,0,0,0,0|1,0,2]=4 743 B17R1.1079 Cc1ccc(cc1)CCC(=O)NCCC(C)C 1626a_100000210545_100000234883 [0,1,0,0,0,0|1,0,2]=4 744 B17R1.1079 Cc1ccc(cc1)CCC(=O)NCCC(C)C 240690a_100000210545_100000234883 [0,1,0,0,0,0|1,0,2]=4 745 B17R1.1079 Cc1ccc(cc1)CCC(=O)NCCC(C)C 527a_100000210545_100000234883 [0,1,0,0,0,0|1,0,2]=4 746 B17R1.1079 Cc1ccc(cc1)CNC(=O)CCCC(C)C 11a_100000174908_100011216857 [0,1,0,0,0,0|2,0,1]=4 747 B17R1.1079 Cc1ccc(cc1)CNC(=O)CCCC(C)C 1626a_100000174908_100011216857 [0,1,0,0,0,0|2,0,1]=4 748 B17R1.1079 Cc1ccc(cc1)CNC(=O)CCCC(C)C 240690a_100000174908_100011216857 [0,1,0,0,0,0|2,0,1]=4 749 B17R1.1079 Cc1ccc(cc1)CNC(=O)CCCC(C)C 527a_100000174908_100011216857 [0,1,0,0,0,0|2,0,1]=4 750 B17R1.1079 Cc1ccc(cc1)CNC(=O)NCCC(C)C 2708a_100000174908_100000210545 [0,1,0,0,0,0|2,0,1]=4 751 B17R1.1079 Cc1ccc(cc1)CNC(=O)NCCC(C)C 2708a_100000210545_100000174908 [0,1,0,0,0,0|2,0,1]=4 752 B17R1.1079 Cc1ccc(cc1)CNC(=O)NCCC(C)C 273464a_100000174908_100000210545 [0,1,0,0,0,0|2,0,1]=4 753 B17R1.1079 Cc1ccc(cc1)CNC(=O)NCCC(C)C 273464a_100000210545_100000174908 [0,1,0,0,0,0|2,0,1]=4 754 B17R1.1079 Cc1ccc(cc1)CNC(=O)NCCC(C)C 512a_100000174908_100000210545 [0,1,0,0,0,0|2,0,1]=4 755 B17R1.1079 Cc1ccc(cc1)CNC(=O)NCCC(C)C 512a_100000210545_100000174908 [0,1,0,0,0,0|2,0,1]=4 756 B17R1.1079 Cc1ccc(cc1)NNC(=O)CCCC(C)C 22a_100000683527_100011216857 [0,1,0,0,0,0|3,0,0]=4 757 B17R1.1079 Cc1ccc(cc1)NNC(=O)NCCC(C)C 273464a_100000210545_100000683527 [0,1,0,0,0,0|3,0,0]=4 758 B17R1.1079 Cc1ccc(cc1)NNC(=O)NCCC(C)C 512a_100000210545_100000683527 [0,1,0,0,0,0|3,0,0]=4 759 B17R1.1079 Cc1ccc(cc1)OCC(=O)CCCC(C)C 1458a_100000182360_100011214892 [0,1,0,0,0,0|2,0,1]=4 760 B17R1.1079 Cc1ccc(cc1)OCC(=O)NCCC(C)C 11a_100000210545_100000182360 [0,1,0,0,0,0|2,0,1]=4 761 B17R1.1079 Cc1ccc(cc1)OCC(=O)NCCC(C)C 1626a_100000210545_100000182360 [0,1,0,0,0,0|2,0,1]=4 762 B17R1.1079 Cc1ccc(cc1)OCC(=O)NCCC(C)C 240690a_100000210545_100000182360 [0,1,0,0,0,0|2,0,1]=4 763 B17R1.1079 Cc1ccc(cc1)OCC(=O)NCCC(C)C 527a_100000210545_100000182360 [0,1,0,0,0,0|2,0,1]=4 764 B17R1.1079 Cc1ccc(cc1)SCC(=O)CCCC(C)C 1458a_100000179497_100011214892 [0,1,0,0,0,0|2,0,1]=4 765 B17R1.1079 Cc1ccc(cc1)SCC(=O)NCCC(C)C 11a_100000210545_100000179497 [0,1,0,0,0,0|2,0,1]=4 766 B17R1.1079 Cc1ccc(cc1)SCC(=O)NCCC(C)C 1626a_100000210545_100000179497 [0,1,0,0,0,0|2,0,1]=4 767 B17R1.1079 Cc1ccc(cc1)SCC(=O)NCCC(C)C 240690a_100000210545_100000179497 [0,1,0,0,0,0|2,0,1]=4 768 B17R1.1079 Cc1ccc(cc1)SCC(=O)NCCC(C)C 527a_100000210545_100000179497 [0,1,0,0,0,0|2,0,1]=4 769 B17R1.1079 Cc1cnc(cn1)C=CC(=O)CCCC(C)C 6a_100000685221_100000753411 [0,1,0,0,0,0|3,0,0]=4 770 B17R1.1079 Cc1ncc(cn1)C=CC(=O)CCCC(C)C 6a_100011202771_100000753411 [0,1,0,0,0,0|3,0,0]=4 771 B17R1.1218 CC(C#N)CNNC(=O)C=Cc1ccccc1 22a_100000045663_100000210462 [0,1,0,0,0,0|2,0,1]=4 772 B17R1.1218 CC(CO)CCNC(=O)C#Cc1ccccc1 240690a_106354213184_100000736102 [0,1,0,0,0,0|1,0,2]=4 773 B17R1.1218 CC(CO)CCNC(=O)C=Cc1ccccn1 240690a_106354213184_100000740811 [0,1,0,0,0,0|2,0,0]=3 774 B17R1.1218 CC(CO)CCNC(=O)C=Cc1cccnc1 240690a_106354213184_100000735890 [0,1,0,0,0,0|2,0,0]=3 775 B17R1.1218 CC(CO)CCNC(=O)C=Cc1ccncc1 240690a_106354213184_100000682801 [0,1,0,0,0,0|2,0,0]=3 776 B17R1.1218 CC(CO)CCNC(=O)CCc1ccccc1 240690a_106354213184_100000185753 [0,1,0,0,0,0|1,0,2]=4 777 B17R1.1218 CC(CO)CCNC(=O)CCc1ccccc1 527a_106354213184_100000185753 [0,1,0,0,0,0|1,0,2]=4 778 B17R1.1218 CC(CO)CCNC(=O)COc1ccccc1 240690a_106354213184_100000186222 [0,1,0,0,0,0|2,0,1]=4 779 B17R1.1218 CC(CO)CCNC(=O)COc1ccccc1 527a_106354213184_100000186222 [0,1,0,0,0,0|2,0,1]=4 780 B17R1.1218 CC(CO)CCNC(=O)CSc1ccccc1 240690a_106354213184_100000211596 [0,1,0,0,0,0|2,0,1]=4 781 B17R1.1218 CC(CO)CCNC(=O)CSc1ccccc1 527a_106354213184_100000211596 [0,1,0,0,0,0|2,0,1]=4 782 B17R1.1218 CC(CO)CCNC(=O)NCc1ccccc1 2708a_100015324214_106354213184 [0,1,0,0,0,0|2,0,1]=4 783 B17R1.1218 CC(CO)CCNC(=O)NCc1ccccc1 273464a_100015324214_106354213184 [0,1,0,0,0,0|2,0,1]=4 784 B17R1.1218 CC(CO)CCNC(=O)NCc1ccccc1 273464a_106354213184_100015324214 [0,1,0,0,0,0|2,0,1]=4 785 B17R1.1218 CC(CO)CCNC(=O)NCc1ccccc1 512a_100015324214_106354213184 [0,1,0,0,0,0|2,0,1]=4 786 B17R1.1218 CC(CO)CCNC(=O)NCc1ccccc1 512a_106354213184_100015324214 [0,1,0,0,0,0|2,0,1]=4 787 B17R1.1218 CC(CO)CCNC(=O)NNc1ccccc1 273464a_106354213184_100015195140 [0,1,0,0,0,0|3,0,0]=4 788 B17R1.1218 CC(CO)CCNC(=O)NNc1ccccc1 512a_106354213184_100015195140 [0,1,0,0,0,0|3,0,0]=4 789 B17R1.1218 CCC(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_100000210202 [0,1,0,0,0,0|2,0,1]=4 790 B17R1.1218 CCC(C)CCNC(=O)C#Cc1ccccc1 240690a_100020591266_100000736102 [0,1,0,0,0,0|1,0,2]=4 791 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccc1 11a_100020591266_100000210462 [0,1,0,0,0,0|1,0,0]=2 792 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccc1 1626a_100020591266_100000210462 [0,1,0,0,0,0|1,0,0]=2 793 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccn1 11a_100020591266_100000740811 [0,1,0,0,0,0|2,0,0]=3 794 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccn1 240690a_100020591266_100000740811 [0,1,0,0,0,0|2,0,0]=3 795 B17R1.1218 CCC(C)CCNC(=O)C=Cc1cccnc1 11a_100020591266_100000735890 [0,1,0,0,0,0|2,0,0]=3 796 B17R1.1218 CCC(C)CCNC(=O)C=Cc1cccnc1 240690a_100020591266_100000735890 [0,1,0,0,0,0|2,0,0]=3 797 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccncc1 240690a_100020591266_100000682801 [0,1,0,0,0,0|2,0,0]=3 798 B17R1.1218 CCC(C)CCNC(=O)CCc1ccccc1 11a_100020591266_100000185753 [0,1,0,0,0,0|1,0,2]=4 799 B17R1.1218 CCC(C)CCNC(=O)CCc1ccccc1 1626a_100020591266_100000185753 [0,1,0,0,0,0|1,0,2]=4 800 B17R1.1218 CCC(C)CCNC(=O)CCc1ccccc1 240690a_100020591266_100000185753 [0,1,0,0,0,0|1,0,2]=4 801 B17R1.1218 CCC(C)CCNC(=O)CCc1ccccc1 527a_100020591266_100000185753 [0,1,0,0,0,0|1,0,2]=4 802 B17R1.1218 CCC(C)CCNC(=O)COc1ccccc1 11a_100020591266_100000186222 [0,1,0,0,0,0|2,0,1]=4 803 B17R1.1218 CCC(C)CCNC(=O)COc1ccccc1 1626a_100020591266_100000186222 [0,1,0,0,0,0|2,0,1]=4 804 B17R1.1218 CCC(C)CCNC(=O)COc1ccccc1 240690a_100020591266_100000186222 [0,1,0,0,0,0|2,0,1]=4 805 B17R1.1218 CCC(C)CCNC(=O)COc1ccccc1 527a_100020591266_100000186222 [0,1,0,0,0,0|2,0,1]=4 806 B17R1.1218 CCC(C)CCNC(=O)CSc1ccccc1 11a_100020591266_100000211596 [0,1,0,0,0,0|2,0,1]=4 807 B17R1.1218 CCC(C)CCNC(=O)CSc1ccccc1 1626a_100020591266_100000211596 [0,1,0,0,0,0|2,0,1]=4 808 B17R1.1218 CCC(C)CCNC(=O)CSc1ccccc1 240690a_100020591266_100000211596 [0,1,0,0,0,0|2,0,1]=4 809 B17R1.1218 CCC(C)CCNC(=O)CSc1ccccc1 527a_100020591266_100000211596 [0,1,0,0,0,0|2,0,1]=4 810 B17R1.1218 CCC(C)CCNC(=O)NCc1ccccc1 2708a_100015324214_100020591266 [0,1,0,0,0,0|2,0,1]=4 811 B17R1.1218 CCC(C)CCNC(=O)NCc1ccccc1 2708a_100020591266_100015324214 [0,1,0,0,0,0|2,0,1]=4 812 B17R1.1218 CCC(C)CCNC(=O)NCc1ccccc1 273464a_100015324214_100020591266 [0,1,0,0,0,0|2,0,1]=4 813 B17R1.1218 CCC(C)CCNC(=O)NCc1ccccc1 273464a_100020591266_100015324214 [0,1,0,0,0,0|2,0,1]=4 814 B17R1.1218 CCC(C)CCNC(=O)NCc1ccccc1 512a_100015324214_100020591266 [0,1,0,0,0,0|2,0,1]=4 815 B17R1.1218 CCC(C)CCNC(=O)NCc1ccccc1 512a_100020591266_100015324214 [0,1,0,0,0,0|2,0,1]=4 816 B17R1.1218 CCC(C)CCNC(=O)NNc1ccccc1 273464a_100020591266_100015195140 [0,1,0,0,0,0|3,0,0]=4 817 B17R1.1218 CCC(C)CCNC(=O)NNc1ccccc1 512a_100020591266_100015195140 [0,1,0,0,0,0|3,0,0]=4 818 B17R1.1218 CCC(O)CNNC(=O)C=Cc1ccccc1 22a_100015206393_100000210462 [0,1,0,0,0,0|3,0,0]=4 819 B17R1.1218 CCN(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100015186262 [0,1,0,0,0,0|2,0,0]=3 820 B17R1.1218 CCN(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100015186262 [0,1,0,0,0,0|3,0,0]=4 821 B17R1.1218 CCN(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100015186262 [0,1,0,0,0,0|3,0,0]=4 822 B17R1.1218 CCN(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100015186262 [0,1,0,0,0,0|3,0,0]=4 823 B17R1.1218 CNC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000741757 [0,1,0,0,0,0|2,0,1]=4 824 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 11a_100000738227_100000210462 [0,1,0,0,0,0|2,0,1]=4 825 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 11a_106832991635_100015194563 [0,1,0,0,0,0|2,0,1]=4 826 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 1626a_100102657272_100015194563 [0,1,0,0,0,0|2,0,1]=4 827 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 240690a_100102657272_100015194563 [0,1,0,0,0,0|2,0,1]=4 828 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 527a_100102657272_100015194563 [0,1,0,0,0,0|2,0,1]=4 829 B17R1.1218 CNC(C)CCNC(=O)OCc1ccccc1 270004a_106832991635_100010892827 [0,1,0,0,0,0|2,0,1]=4 830 B17R1.1218 COC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011218270 [0,1,0,0,0,0|2,0,1]=4 831 B17R1.1218 COC(=O)CCNC(=O)C=Cc1ccccc1 188690a_100000683876_100000210462 [0,1,0,0,0,0|2,0,1]=4 832 B17R1.1218 O=C(CF)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_100015361967 [0,1,0,0,0,0|2,0,1]=4 833 B17R1.5010 CC(C)CCC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_100011261404 [0,1,0,0,0,0|1,0,2]=4 834 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100011261404 [0,1,0,0,0,0|1,0,0]=2 835 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100011261404 [0,1,0,0,0,0|2,0,0]=3 836 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100011261404 [0,1,0,0,0,0|2,0,0]=3 837 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100011261404 [0,1,0,0,0,0|2,0,0]=3 838 B17R1.5010 CC(C)CCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100011261404 [0,1,0,0,0,0|1,0,2]=4 839 B17R1.5010 CC(C)CCC(C)C(=O)COc1ccccc1 1458a_100000186222_100011261404 [0,1,0,0,0,0|2,0,1]=4 840 B17R1.5010 CC(C)CCC(C)C(=O)CSc1ccccc1 1458a_100000211596_100011261404 [0,1,0,0,0,0|2,0,1]=4 841 B17R1.5010 CC(C)CCN(C)C(=O)C#Cc1ccccc1 240690a_100000742789_100000736102 [0,1,0,0,0,0|1,0,2]=4 842 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccc1 11a_100000742789_100000210462 [0,1,0,0,0,0|1,0,0]=2 843 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccc1 1626a_100000742789_100000210462 [0,1,0,0,0,0|1,0,0]=2 844 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccn1 11a_100000742789_100000740811 [0,1,0,0,0,0|2,0,0]=3 845 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccn1 240690a_100000742789_100000740811 [0,1,0,0,0,0|2,0,0]=3 846 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1cccnc1 11a_100000742789_100000735890 [0,1,0,0,0,0|2,0,0]=3 847 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1cccnc1 240690a_100000742789_100000735890 [0,1,0,0,0,0|2,0,0]=3 848 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccncc1 240690a_100000742789_100000682801 [0,1,0,0,0,0|2,0,0]=3 849 B17R1.5010 CC(C)CCN(C)C(=O)CCc1ccccc1 11a_100000742789_100000185753 [0,1,0,0,0,0|1,0,2]=4 850 B17R1.5010 CC(C)CCN(C)C(=O)CCc1ccccc1 1626a_100000742789_100000185753 [0,1,0,0,0,0|1,0,2]=4 851 B17R1.5010 CC(C)CCN(C)C(=O)CCc1ccccc1 240690a_100000742789_100000185753 [0,1,0,0,0,0|1,0,2]=4 852 B17R1.5010 CC(C)CCN(C)C(=O)CCc1ccccc1 527a_100000742789_100000185753 [0,1,0,0,0,0|1,0,2]=4 853 B17R1.5010 CC(C)CCN(C)C(=O)COc1ccccc1 11a_100000742789_100000186222 [0,1,0,0,0,0|2,0,1]=4 854 B17R1.5010 CC(C)CCN(C)C(=O)COc1ccccc1 1626a_100000742789_100000186222 [0,1,0,0,0,0|2,0,1]=4 855 B17R1.5010 CC(C)CCN(C)C(=O)COc1ccccc1 240690a_100000742789_100000186222 [0,1,0,0,0,0|2,0,1]=4 856 B17R1.5010 CC(C)CCN(C)C(=O)COc1ccccc1 527a_100000742789_100000186222 [0,1,0,0,0,0|2,0,1]=4 857 B17R1.5010 CC(C)CCN(C)C(=O)CSc1ccccc1 11a_100000742789_100000211596 [0,1,0,0,0,0|2,0,1]=4 858 B17R1.5010 CC(C)CCN(C)C(=O)CSc1ccccc1 1626a_100000742789_100000211596 [0,1,0,0,0,0|2,0,1]=4 859 B17R1.5010 CC(C)CCN(C)C(=O)CSc1ccccc1 240690a_100000742789_100000211596 [0,1,0,0,0,0|2,0,1]=4 860 B17R1.5010 CC(C)CCN(C)C(=O)CSc1ccccc1 527a_100000742789_100000211596 [0,1,0,0,0,0|2,0,1]=4 861 B17R1.5010 CC(C)CCN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000742789 [0,1,0,0,0,0|2,0,1]=4 862 B17R1.5010 CC(C)CCN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000742789 [0,1,0,0,0,0|2,0,1]=4 863 B17R1.5010 CN(C)CCN(C)C(=O)C=Cc1ccccn1 240690a_100000225618_100000740811 [0,1,0,0,0,0|3,0,0]=4 864 B17R1.5010 CN(C)CCN(C)C(=O)C=Cc1cccnc1 240690a_100000225618_100000735890 [0,1,0,0,0,0|3,0,0]=4 865 B17R1.5010 CN(C)CCN(C)C(=O)C=Cc1ccncc1 240690a_100000225618_100000682801 [0,1,0,0,0,0|3,0,0]=4 866 B17R1.9015 CC(=CCCC(=O)C=Cc1ccccc1Br)C 1458a_100000719032_100011217483 [0,1,0,0,0,0|1,0,2]=4 867 B17R1.9015 CC(=CCCC(=O)C=Cc1ccccc1Cl)C 1458a_100000720304_100011217483 [0,1,0,0,0,0|1,0,2]=4 868 B17R1.9015 CC(=CCCC(=O)C=Cc1ccccc1F)C 1458a_100016256065_100011217483 [0,1,0,0,0,0|1,0,2]=4 869 B17R1.9015 CC(=CCCC(=O)C=Cc1ccccc1O)C 1458a_100016263591_100011217483 [0,1,0,0,0,0|1,0,2]=4 870 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1Br)C 11a_100000718196_100000719032 [0,1,0,0,0,0|1,0,2]=4 871 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1Br)C 1626a_100000718196_100000719032 [0,1,0,0,0,0|1,0,2]=4 872 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1C)C 1626a_100000718196_100016266485 [0,1,0,0,0,0|1,0,2]=4 873 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1Cl)C 11a_100000718196_100000720304 [0,1,0,0,0,0|1,0,2]=4 874 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1Cl)C 1626a_100000718196_100000720304 [0,1,0,0,0,0|1,0,2]=4 875 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1F)C 11a_100000718196_100016256065 [0,1,0,0,0,0|1,0,2]=4 876 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1F)C 1626a_100000718196_100016256065 [0,1,0,0,0,0|1,0,2]=4 877 B17R1.9015 CC(=O)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215641 [0,1,0,0,0,0|2,0,1]=4 878 B17R1.9015 CC(=O)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215641 [0,1,0,0,0,0|2,0,1]=4 879 B17R1.9015 CC(=O)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215641 [0,1,0,0,0,0|2,0,1]=4 880 B17R1.9015 CC(=O)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215641 [0,1,0,0,0,0|2,0,1]=4 881 B17R1.9015 CC(C)CCCC(=O)C#Cc1ccccc1F 1458a_100011892747_100011214892 [0,1,0,0,0,0|1,0,2]=4 882 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011214892 [0,1,0,0,0,0|1,0,0]=2 883 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011214892 [0,1,0,0,0,0|1,0,0]=2 884 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011214892 [0,1,0,0,0,0|1,0,0]=2 885 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011214892 [0,1,0,0,0,0|1,0,0]=2 886 B17R1.9015 CC(C)CCCC(=O)CCc1ccccc1Br 1458a_100000740810_100011214892 [0,1,0,0,0,0|1,0,2]=4 887 B17R1.9015 CC(C)CCCC(=O)CCc1ccccc1Br 1458a_100011216857_100012161201 [0,1,0,0,0,0|1,0,2]=4 888 B17R1.9015 CC(C)CCCC(=O)CCc1ccccc1Cl 1458a_100000184300_100011214892 [0,1,0,0,0,0|1,0,2]=4 889 B17R1.9015 CC(C)CCCC(=O)CCc1ccccc1Cl 1458a_100011216857_100011713703 [0,1,0,0,0,0|1,0,2]=4 890 B17R1.9015 CC(C)CCCC(=O)CCc1ccccc1F 1458a_100000189703_100011214892 [0,1,0,0,0,0|1,0,2]=4 891 B17R1.9015 CC(C)CCCC(=O)CCc1ccccc1F 1458a_100011216857_100000720011 [0,1,0,0,0,0|1,0,2]=4 892 B17R1.9015 CC(C)CCCC(=O)CCc1ccccc1I 1458a_100000037306_100011214892 [0,1,0,0,0,0|1,0,2]=4 893 B17R1.9015 CC(C)CCCC(=O)CCc1ccccc1O 1458a_100000181328_100011214892 [0,1,0,0,0,0|1,0,2]=4 894 B17R1.9015 CC(C)CCCC(=O)CCc1ccccc1O 1458a_100011216857_100000722297 [0,1,0,0,0,0|1,0,2]=4 895 B17R1.9015 CC(C)CCCC(=O)COc1ccccc1Br 1458a_100000216496_100011214892 [0,1,0,0,0,0|2,0,1]=4 896 B17R1.9015 CC(C)CCCC(=O)COc1ccccc1Cl 1458a_100000185159_100011214892 [0,1,0,0,0,0|2,0,1]=4 897 B17R1.9015 CC(C)CCCC(=O)COc1ccccc1F 1458a_100000182486_100011214892 [0,1,0,0,0,0|2,0,1]=4 898 B17R1.9015 CC(C)CCCC(=O)COc1ccccc1O 1458a_100000183020_100011214892 [0,1,0,0,0,0|2,0,1]=4 899 B17R1.9015 CC(C)CCCC(=O)CSc1ccccc1F 1458a_100000179528_100011214892 [0,1,0,0,0,0|2,0,1]=4 900 B17R1.9015 CC(C)CCCC(=O)CSc1ccccc1O 1458a_100000695322_100011214892 [0,1,0,0,0,0|2,0,1]=4 901 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Br 11a_100000689332_100011216857 [0,1,0,0,0,0|2,0,1]=4 902 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Br 1626a_100000689332_100011216857 [0,1,0,0,0,0|2,0,1]=4 903 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Br 240690a_100000689332_100011216857 [0,1,0,0,0,0|2,0,1]=4 904 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Br 527a_100000689332_100011216857 [0,1,0,0,0,0|2,0,1]=4 905 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Cl 11a_100000174879_100011216857 [0,1,0,0,0,0|2,0,1]=4 906 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Cl 1626a_100000174879_100011216857 [0,1,0,0,0,0|2,0,1]=4 907 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Cl 240690a_100000174879_100011216857 [0,1,0,0,0,0|2,0,1]=4 908 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1Cl 527a_100000174879_100011216857 [0,1,0,0,0,0|2,0,1]=4 909 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1F 11a_100000174869_100011216857 [0,1,0,0,0,0|2,0,1]=4 910 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1F 1626a_100000174869_100011216857 [0,1,0,0,0,0|2,0,1]=4 911 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1F 240690a_100000174869_100011216857 [0,1,0,0,0,0|2,0,1]=4 912 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1F 527a_100000174869_100011216857 [0,1,0,0,0,0|2,0,1]=4 913 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1I 11a_100015347259_100011216857 [0,1,0,0,0,0|2,0,1]=4 914 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1I 1626a_100015347259_100011216857 [0,1,0,0,0,0|2,0,1]=4 915 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1I 240690a_100015347259_100011216857 [0,1,0,0,0,0|2,0,1]=4 916 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1I 527a_100015347259_100011216857 [0,1,0,0,0,0|2,0,1]=4 917 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1O 240690a_100000185550_100011216857 [0,1,0,0,0,0|2,0,1]=4 918 B17R1.9015 CC(C)CCCC(=O)NCc1ccccc1O 527a_100000185550_100011216857 [0,1,0,0,0,0|2,0,1]=4 919 B17R1.9015 CC(C)CCCC(=O)NNc1ccccc1Br 22a_100000241748_100011216857 [0,1,0,0,0,0|3,0,0]=4 920 B17R1.9015 CC(C)CCCC(=O)NNc1ccccc1Cl 22a_100000683529_100011216857 [0,1,0,0,0,0|3,0,0]=4 921 B17R1.9015 CC(C)CCCC(=O)NNc1ccccc1F 22a_100000239246_100011216857 [0,1,0,0,0,0|3,0,0]=4 922 B17R1.9015 CC(C)CCCC(=O)NNc1ccccc1I 22a_100011218156_100011216857 [0,1,0,0,0,0|3,0,0]=4 923 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br 11a_100000210545_100000719032 [0,1,0,0,0,0|1,0,0]=2 924 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br 1626a_100000210545_100000719032 [0,1,0,0,0,0|1,0,0]=2 925 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br 240690a_100000210545_100000719032 [0,1,0,0,0,0|1,0,0]=2 926 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Cl 11a_100000210545_100000720304 [0,1,0,0,0,0|1,0,0]=2 927 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Cl 1626a_100000210545_100000720304 [0,1,0,0,0,0|1,0,0]=2 928 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Cl 240690a_100000210545_100000720304 [0,1,0,0,0,0|1,0,0]=2 929 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1F 11a_100000210545_100016256065 [0,1,0,0,0,0|1,0,0]=2 930 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1F 1626a_100000210545_100016256065 [0,1,0,0,0,0|1,0,0]=2 931 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1F 240690a_100000210545_100016256065 [0,1,0,0,0,0|1,0,0]=2 932 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Br 11a_100000210545_100000740810 [0,1,0,0,0,0|1,0,2]=4 933 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Br 1626a_100000210545_100000740810 [0,1,0,0,0,0|1,0,2]=4 934 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Br 240690a_100000210545_100000740810 [0,1,0,0,0,0|1,0,2]=4 935 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Br 527a_100000210545_100000740810 [0,1,0,0,0,0|1,0,2]=4 936 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Cl 11a_100000210545_100000184300 [0,1,0,0,0,0|1,0,2]=4 937 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Cl 1626a_100000210545_100000184300 [0,1,0,0,0,0|1,0,2]=4 938 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Cl 240690a_100000210545_100000184300 [0,1,0,0,0,0|1,0,2]=4 939 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1Cl 527a_100000210545_100000184300 [0,1,0,0,0,0|1,0,2]=4 940 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1F 11a_100000210545_100000189703 [0,1,0,0,0,0|1,0,2]=4 941 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1F 1626a_100000210545_100000189703 [0,1,0,0,0,0|1,0,2]=4 942 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1F 240690a_100000210545_100000189703 [0,1,0,0,0,0|1,0,2]=4 943 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1F 527a_100000210545_100000189703 [0,1,0,0,0,0|1,0,2]=4 944 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1I 11a_100000210545_100000037306 [0,1,0,0,0,0|1,0,2]=4 945 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1I 1626a_100000210545_100000037306 [0,1,0,0,0,0|1,0,2]=4 946 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1I 240690a_100000210545_100000037306 [0,1,0,0,0,0|1,0,2]=4 947 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1I 527a_100000210545_100000037306 [0,1,0,0,0,0|1,0,2]=4 948 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1O 11a_100000210545_100000181328 [0,1,0,0,0,0|1,0,2]=4 949 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1O 240690a_100000210545_100000181328 [0,1,0,0,0,0|1,0,2]=4 950 B17R1.9015 CC(C)CCNC(=O)CCc1ccccc1O 527a_100000210545_100000181328 [0,1,0,0,0,0|1,0,2]=4 951 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Br 11a_100000210545_100000216496 [0,1,0,0,0,0|2,0,1]=4 952 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Br 1626a_100000210545_100000216496 [0,1,0,0,0,0|2,0,1]=4 953 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Br 240690a_100000210545_100000216496 [0,1,0,0,0,0|2,0,1]=4 954 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Br 527a_100000210545_100000216496 [0,1,0,0,0,0|2,0,1]=4 955 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Cl 11a_100000210545_100000185159 [0,1,0,0,0,0|2,0,1]=4 956 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Cl 1626a_100000210545_100000185159 [0,1,0,0,0,0|2,0,1]=4 957 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Cl 240690a_100000210545_100000185159 [0,1,0,0,0,0|2,0,1]=4 958 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1Cl 527a_100000210545_100000185159 [0,1,0,0,0,0|2,0,1]=4 959 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1F 11a_100000210545_100000182486 [0,1,0,0,0,0|2,0,1]=4 960 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1F 1626a_100000210545_100000182486 [0,1,0,0,0,0|2,0,1]=4 961 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1F 240690a_100000210545_100000182486 [0,1,0,0,0,0|2,0,1]=4 962 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1F 527a_100000210545_100000182486 [0,1,0,0,0,0|2,0,1]=4 963 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1O 240690a_100000210545_100000183020 [0,1,0,0,0,0|2,0,1]=4 964 B17R1.9015 CC(C)CCNC(=O)COc1ccccc1O 527a_100000210545_100000183020 [0,1,0,0,0,0|2,0,1]=4 965 B17R1.9015 CC(C)CCNC(=O)CSc1ccccc1F 11a_100000210545_100000179528 [0,1,0,0,0,0|2,0,1]=4 966 B17R1.9015 CC(C)CCNC(=O)CSc1ccccc1F 1626a_100000210545_100000179528 [0,1,0,0,0,0|2,0,1]=4 967 B17R1.9015 CC(C)CCNC(=O)CSc1ccccc1F 240690a_100000210545_100000179528 [0,1,0,0,0,0|2,0,1]=4 968 B17R1.9015 CC(C)CCNC(=O)CSc1ccccc1O 240690a_100000210545_100000695322 [0,1,0,0,0,0|2,0,1]=4 969 B17R1.9015 CC(C)CCNC(=O)CSc1ccccc1O 527a_100000210545_100000695322 [0,1,0,0,0,0|2,0,1]=4 970 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Br 2708a_100000210545_100000689332 [0,1,0,0,0,0|2,0,1]=4 971 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Br 2708a_100000689332_100000210545 [0,1,0,0,0,0|2,0,1]=4 972 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Br 273464a_100000210545_100000689332 [0,1,0,0,0,0|2,0,1]=4 973 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Br 273464a_100000689332_100000210545 [0,1,0,0,0,0|2,0,1]=4 974 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Br 512a_100000210545_100000689332 [0,1,0,0,0,0|2,0,1]=4 975 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Br 512a_100000689332_100000210545 [0,1,0,0,0,0|2,0,1]=4 976 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Cl 2708a_100000174879_100000210545 [0,1,0,0,0,0|2,0,1]=4 977 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Cl 2708a_100000210545_100000174879 [0,1,0,0,0,0|2,0,1]=4 978 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Cl 273464a_100000174879_100000210545 [0,1,0,0,0,0|2,0,1]=4 979 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Cl 273464a_100000210545_100000174879 [0,1,0,0,0,0|2,0,1]=4 980 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1Cl 512a_100000210545_100000174879 [0,1,0,0,0,0|2,0,1]=4 981 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1F 2708a_100000174869_100000210545 [0,1,0,0,0,0|2,0,1]=4 982 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1F 2708a_100000210545_100000174869 [0,1,0,0,0,0|2,0,1]=4 983 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1F 273464a_100000174869_100000210545 [0,1,0,0,0,0|2,0,1]=4 984 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1F 273464a_100000210545_100000174869 [0,1,0,0,0,0|2,0,1]=4 985 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1F 512a_100000174869_100000210545 [0,1,0,0,0,0|2,0,1]=4 986 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1F 512a_100000210545_100000174869 [0,1,0,0,0,0|2,0,1]=4 987 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1I 2708a_100000210545_100015347259 [0,1,0,0,0,0|2,0,1]=4 988 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1I 2708a_100015347259_100000210545 [0,1,0,0,0,0|2,0,1]=4 989 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1I 273464a_100000210545_100015347259 [0,1,0,0,0,0|2,0,1]=4 990 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1I 273464a_100015347259_100000210545 [0,1,0,0,0,0|2,0,1]=4 991 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1I 512a_100000210545_100015347259 [0,1,0,0,0,0|2,0,1]=4 992 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1I 512a_100015347259_100000210545 [0,1,0,0,0,0|2,0,1]=4 993 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1O 2708a_100000185550_100000210545 [0,1,0,0,0,0|2,0,1]=4 994 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1O 2708a_100000210545_100000185550 [0,1,0,0,0,0|2,0,1]=4 995 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1O 273464a_100000185550_100000210545 [0,1,0,0,0,0|2,0,1]=4 996 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1O 273464a_100000210545_100000185550 [0,1,0,0,0,0|2,0,1]=4 997 B17R1.9015 CC(C)CCNC(=O)NCc1ccccc1O 512a_100000185550_100000210545 [0,1,0,0,0,0|2,0,1]=4 998 B17R1.9015 CC(C)CCNC(=O)NNc1ccccc1Br 273464a_100000210545_100000241748 [0,1,0,0,0,0|3,0,0]=4 999 B17R1.9015 CC(C)CCNC(=O)NNc1ccccc1Br 512a_100000210545_100000241748 [0,1,0,0,0,0|3,0,0]=4 1000 B17R1.9015 CC(C)CCNC(=O)NNc1ccccc1Cl 273464a_100000210545_100000683529 [0,1,0,0,0,0|3,0,0]=4 1001 B17R1.9015 CC(C)CCNC(=O)NNc1ccccc1Cl 512a_100000210545_100000683529 [0,1,0,0,0,0|3,0,0]=4 1002 B17R1.9015 CC(C)CCNC(=O)NNc1ccccc1F 273464a_100000210545_100000239246 [0,1,0,0,0,0|3,0,0]=4 1003 B17R1.9015 CC(C)CCNC(=O)NNc1ccccc1F 512a_100000210545_100000239246 [0,1,0,0,0,0|3,0,0]=4 1004 B17R1.9015 CC(C)CCNC(=O)NNc1ccccc1I 273464a_100000210545_100011218156 [0,1,0,0,0,0|3,0,0]=4 1005 B17R1.9015 CC(C)CCNC(=O)NNc1ccccc1I 512a_100000210545_100011218156 [0,1,0,0,0,0|3,0,0]=4 1006 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1Br 22a_100000696102_100000719032 [0,1,0,0,0,0|2,0,0]=3 1007 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1Cl 22a_100000696102_100000720304 [0,1,0,0,0,0|2,0,0]=3 1008 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1F 22a_100000696102_100016256065 [0,1,0,0,0,0|2,0,0]=3 1009 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1O 22a_100000696102_100016263591 [0,1,0,0,0,0|2,0,0]=3 1010 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000211751 [0,1,0,0,0,0|2,0,0]=3 1011 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000211751 [0,1,0,0,0,0|2,0,0]=3 1012 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000211751 [0,1,0,0,0,0|2,0,0]=3 1013 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000211751 [0,1,0,0,0,0|2,0,0]=3 1014 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000730970 [0,1,0,0,0,0|2,0,0]=3 1015 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000730970 [0,1,0,0,0,0|2,0,0]=3 1016 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000730970 [0,1,0,0,0,0|2,0,0]=3 1017 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000730970 [0,1,0,0,0,0|2,0,0]=3 1018 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000718107 [0,1,0,0,0,0|2,0,0]=3 1019 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000718107 [0,1,0,0,0,0|2,0,0]=3 1020 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_200000718107 [0,1,0,0,0,0|2,0,0]=3 1021 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_200000718107 [0,1,0,0,0,0|2,0,0]=3 1022 B17R1.9015 CC(O)CCNC(=O)C=Cc1ccccc1Br 240690a_200000755665_100000719032 [0,1,0,0,0,0|2,0,0]=3 1023 B17R1.9015 CC(O)CCNC(=O)C=Cc1ccccc1Cl 240690a_200000755665_100000720304 [0,1,0,0,0,0|2,0,0]=3 1024 B17R1.9015 CC(O)CCNC(=O)C=Cc1ccccc1F 240690a_200000755665_100016256065 [0,1,0,0,0,0|2,0,0]=3 1025 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1Br 22a_200000730056_100000719032 [0,1,0,0,0,0|3,0,0]=4 1026 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1Cl 22a_200000730056_100000720304 [0,1,0,0,0,0|3,0,0]=4 1027 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1F 22a_200000730056_100016256065 [0,1,0,0,0,0|3,0,0]=4 1028 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1O 22a_200000730056_100016263591 [0,1,0,0,0,0|3,0,0]=4 1029 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000695564 [0,1,0,0,0,0|2,0,0]=3 1030 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000695564 [0,1,0,0,0,0|2,0,0]=3 1031 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000695564 [0,1,0,0,0,0|2,0,0]=3 1032 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000695564 [0,1,0,0,0,0|2,0,0]=3 1033 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Br 240690a_100000210585_100000719032 [0,1,0,0,0,0|2,0,0]=3 1034 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Cl 240690a_100000210585_100000720304 [0,1,0,0,0,0|2,0,0]=3 1035 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1F 240690a_100000210585_100016256065 [0,1,0,0,0,0|2,0,0]=3 1036 B17R1.9015 Cc1ccccc1C=CC(=O)NCCC(C)C 1626a_100000210545_100016266485 [0,1,0,0,0,0|1,0,0]=2 1037 B17R1.9015 Cc1ccccc1C=CC(=O)NNCC(C)C 22a_100000696102_100016266485 [0,1,0,0,0,0|2,0,0]=3 1038 B17R1.9015 Cc1ccccc1C=CC(=O)NNCC(C)O 22a_200000730056_100016266485 [0,1,0,0,0,0|3,0,0]=4 1039 B17R1.9015 Cc1ccccc1CCC(=O)CCCC(C)C 1458a_100000748742_100011214892 [0,1,0,0,0,0|1,0,2]=4 1040 B17R1.9015 Cc1ccccc1CCC(=O)CCCC(C)C 1458a_100011216857_100011713688 [0,1,0,0,0,0|1,0,2]=4 1041 B17R1.9015 Cc1ccccc1CCC(=O)NCCC(C)C 11a_100000210545_100000748742 [0,1,0,0,0,0|1,0,2]=4 1042 B17R1.9015 Cc1ccccc1CCC(=O)NCCC(C)C 1626a_100000210545_100000748742 [0,1,0,0,0,0|1,0,2]=4 1043 B17R1.9015 Cc1ccccc1CCC(=O)NCCC(C)C 240690a_100000210545_100000748742 [0,1,0,0,0,0|1,0,2]=4 1044 B17R1.9015 Cc1ccccc1CCC(=O)NCCC(C)C 527a_100000210545_100000748742 [0,1,0,0,0,0|1,0,2]=4 1045 B17R1.9015 Cc1ccccc1CNC(=O)CCCC(C)C 11a_100000174972_100011216857 [0,1,0,0,0,0|2,0,1]=4 1046 B17R1.9015 Cc1ccccc1CNC(=O)CCCC(C)C 1626a_100000174972_100011216857 [0,1,0,0,0,0|2,0,1]=4 1047 B17R1.9015 Cc1ccccc1CNC(=O)CCCC(C)C 240690a_100000174972_100011216857 [0,1,0,0,0,0|2,0,1]=4 1048 B17R1.9015 Cc1ccccc1CNC(=O)CCCC(C)C 527a_100000174972_100011216857 [0,1,0,0,0,0|2,0,1]=4 1049 B17R1.9015 Cc1ccccc1CNC(=O)NCCC(C)C 2708a_100000174972_100000210545 [0,1,0,0,0,0|2,0,1]=4 1050 B17R1.9015 Cc1ccccc1CNC(=O)NCCC(C)C 2708a_100000210545_100000174972 [0,1,0,0,0,0|2,0,1]=4 1051 B17R1.9015 Cc1ccccc1CNC(=O)NCCC(C)C 273464a_100000174972_100000210545 [0,1,0,0,0,0|2,0,1]=4 1052 B17R1.9015 Cc1ccccc1CNC(=O)NCCC(C)C 273464a_100000210545_100000174972 [0,1,0,0,0,0|2,0,1]=4 1053 B17R1.9015 Cc1ccccc1CNC(=O)NCCC(C)C 512a_100000174972_100000210545 [0,1,0,0,0,0|2,0,1]=4 1054 B17R1.9015 Cc1ccccc1CNC(=O)NCCC(C)C 512a_100000210545_100000174972 [0,1,0,0,0,0|2,0,1]=4 1055 B17R1.9015 Cc1ccccc1NNC(=O)CCCC(C)C 22a_100000184220_100011216857 [0,1,0,0,0,0|3,0,0]=4 1056 B17R1.9015 Cc1ccccc1NNC(=O)NCCC(C)C 273464a_100000210545_100000184220 [0,1,0,0,0,0|3,0,0]=4 1057 B17R1.9015 Cc1ccccc1NNC(=O)NCCC(C)C 512a_100000210545_100000184220 [0,1,0,0,0,0|3,0,0]=4 1058 B17R1.9015 Cc1ccccc1OCC(=O)CCCC(C)C 1458a_100000182418_100011214892 [0,1,0,0,0,0|2,0,1]=4 1059 B17R1.9015 Cc1ccccc1OCC(=O)NCCC(C)C 11a_100000210545_100000182418 [0,1,0,0,0,0|2,0,1]=4 1060 B17R1.9015 Cc1ccccc1OCC(=O)NCCC(C)C 1626a_100000210545_100000182418 [0,1,0,0,0,0|2,0,1]=4 1061 B17R1.9015 Cc1ccccc1OCC(=O)NCCC(C)C 240690a_100000210545_100000182418 [0,1,0,0,0,0|2,0,1]=4 1062 B17R1.9015 Cc1ccccc1OCC(=O)NCCC(C)C 527a_100000210545_100000182418 [0,1,0,0,0,0|2,0,1]=4 1063 B17R1.9015 Cc1ccccc1SCC(=O)CCCC(C)C 1458a_100000183026_100011214892 [0,1,0,0,0,0|2,0,1]=4 1064 B17R1.9015 Cc1ccccc1SCC(=O)NCCC(C)C 11a_100000210545_100000183026 [0,1,0,0,0,0|2,0,1]=4 1065 B17R1.9015 Cc1ccccc1SCC(=O)NCCC(C)C 1626a_100000210545_100000183026 [0,1,0,0,0,0|2,0,1]=4 1066 B17R1.9015 Cc1ccccc1SCC(=O)NCCC(C)C 240690a_100000210545_100000183026 [0,1,0,0,0,0|2,0,1]=4 1067 B17R1.9015 Cc1ccccc1SCC(=O)NCCC(C)C 527a_100000210545_100000183026 [0,1,0,0,0,0|2,0,1]=4 1068 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCCC(C)C 1458a_100016990649_100011214892 [0,1,0,0,0,0|1,0,0]=2 1069 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCCC(C)O 1458a_100016990649_200000718107 [0,1,0,0,0,0|2,0,0]=3 1070 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCCN(C)C 1458a_100016990649_100000695564 [0,1,0,0,0,0|2,0,0]=3 1071 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCOC(C)C 1458a_100016990649_100000211751 [0,1,0,0,0,0|2,0,0]=3 1072 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCSC(C)C 1458a_100016990649_100000730970 [0,1,0,0,0,0|2,0,0]=3 1073 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)C 11a_100000210545_100016990649 [0,1,0,0,0,0|1,0,0]=2 1074 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)C 1626a_100000210545_100016990649 [0,1,0,0,0,0|1,0,0]=2 1075 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)C 527a_100000210545_100016990649 [0,1,0,0,0,0|1,0,0]=2 1076 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)O 527a_200000755665_100016990649 [0,1,0,0,0,0|2,0,0]=3 1077 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCN(C)C 527a_100000210585_100016990649 [0,1,0,0,0,0|2,0,0]=3 1078 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NNCC(C)C 22a_100000696102_100016990649 [0,1,0,0,0,0|2,0,0]=3 1079 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NNCC(C)O 22a_200000730056_100016990649 [0,1,0,0,0,0|3,0,0]=4 1080 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCCC(C)C 1458a_100025712827_100011214892 [0,1,0,0,0,0|2,0,0]=3 1081 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCCC(C)O 1458a_100025712827_200000718107 [0,1,0,0,0,0|3,0,0]=4 1082 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCCN(C)C 1458a_100025712827_100000695564 [0,1,0,0,0,0|3,0,0]=4 1083 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCOC(C)C 1458a_100025712827_100000211751 [0,1,0,0,0,0|3,0,0]=4 1084 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCSC(C)C 1458a_100025712827_100000730970 [0,1,0,0,0,0|3,0,0]=4 1085 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)C 11a_100000210545_100025712827 [0,1,0,0,0,0|2,0,0]=3 1086 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)C 1626a_100000210545_100025712827 [0,1,0,0,0,0|2,0,0]=3 1087 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)C 527a_100000210545_100025712827 [0,1,0,0,0,0|2,0,0]=3 1088 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)O 527a_200000755665_100025712827 [0,1,0,0,0,0|3,0,0]=4 1089 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCN(C)C 527a_100000210585_100025712827 [0,1,0,0,0,0|3,0,0]=4 1090 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NNCC(C)C 22a_100000696102_100025712827 [0,1,0,0,0,0|3,0,0]=4 1091 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C 11a_100000210545_100000066491 [0,1,0,0,0,0|1,0,1]=3 1092 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C 1626a_100000210545_100000066491 [0,1,0,0,0,0|1,0,1]=3 1093 B17R1.9289 C=C(Cc1ccccc1)C(=O)NNCC(C)C 22a_100000696102_100000066491 [0,1,0,0,0,0|2,0,1]=4 1094 B17R1.9289 CC(=CCCC(=O)/C(=C/c1ccccc1)/C)C 1458a_100016990649_100011217483 [0,1,0,0,0,0|1,0,2]=4 1095 B17R1.9289 CC(=CCCC(=O)/C(=C/c1ccccc1)/Cl)C 1458a_200020598536_100011217483 [0,1,0,0,0,0|1,0,2]=4 1096 B17R1.9289 CC(=CCCC(=O)/C(=C\c1ccccc1)/F)C 1458a_100020889036_100011217483 [0,1,0,0,0,0|1,0,2]=4 1097 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/C)C 11a_100000718196_100016990649 [0,1,0,0,0,0|1,0,2]=4 1098 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/C)C 1626a_100000718196_100016990649 [0,1,0,0,0,0|1,0,2]=4 1099 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/C)C 527a_100000718196_100016990649 [0,1,0,0,0,0|1,0,2]=4 1100 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/Cl)C 11a_100000718196_200020598536 [0,1,0,0,0,0|1,0,2]=4 1101 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/Cl)C 1626a_100000718196_200020598536 [0,1,0,0,0,0|1,0,2]=4 1102 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/Cl)C 527a_100000718196_200020598536 [0,1,0,0,0,0|1,0,2]=4 1103 B17R1.9289 CC(=CCNC(=O)/C(=C\c1ccccc1)/F)C 11a_100000718196_100020889036 [0,1,0,0,0,0|1,0,2]=4 1104 B17R1.9289 CC(=CCNC(=O)/C(=C\c1ccccc1)/F)C 527a_100000718196_100020889036 [0,1,0,0,0,0|1,0,2]=4 1105 B17R1.9289 CC(=O)CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011215641 [0,1,0,0,0,0|2,0,1]=4 1106 B17R1.9289 CC(=O)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215641 [0,1,0,0,0,0|2,0,1]=4 1107 B17R1.9289 CC(=O)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215641 [0,1,0,0,0,0|2,0,1]=4 1108 B17R1.9289 CC(C)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011214892 [0,1,0,0,0,0|1,0,0]=2 1109 B17R1.9289 CC(C)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011214892 [0,1,0,0,0,0|1,0,0]=2 1110 B17R1.9289 CC(C)CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011214892 [0,1,0,0,0,0|2,0,0]=3 1111 B17R1.9289 CC(C)CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011214892 [0,1,0,0,0,0|2,0,0]=3 1112 B17R1.9289 CC(C)CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100011214892 [0,1,0,0,0,0|1,0,2]=4 1113 B17R1.9289 CC(C)CCCC(=O)C(C)Cc1ccccc1 1458a_100011216857_200011218536 [0,1,0,0,0,0|1,0,2]=4 1114 B17R1.9289 CC(C)CCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100011214892 [0,1,0,0,0,0|2,0,1]=4 1115 B17R1.9289 CC(C)CCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100011214892 [0,1,0,0,0,0|2,0,1]=4 1116 B17R1.9289 CC(C)CCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100011216857 [0,1,0,0,0,0|2,0,1]=4 1117 B17R1.9289 CC(C)CCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100011216857 [0,1,0,0,0,0|2,0,1]=4 1118 B17R1.9289 CC(C)CCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100011216857 [0,1,0,0,0,0|2,0,1]=4 1119 B17R1.9289 CC(C)CCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100011216857 [0,1,0,0,0,0|2,0,1]=4 1120 B17R1.9289 CC(C)CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100011214892 [0,1,0,0,0,0|1,0,2]=4 1121 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000210545_200020598536 [0,1,0,0,0,0|1,0,0]=2 1122 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000210545_200020598536 [0,1,0,0,0,0|1,0,0]=2 1123 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210545_200020598536 [0,1,0,0,0,0|1,0,0]=2 1124 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210545_200020598536 [0,1,0,0,0,0|1,0,0]=2 1125 B17R1.9289 CC(C)CCNC(=O)/C(=C\c1ccccc1)/F 11a_100000210545_100020889036 [0,1,0,0,0,0|1,0,0]=2 1126 B17R1.9289 CC(C)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000210545_100020889036 [0,1,0,0,0,0|1,0,0]=2 1127 B17R1.9289 CC(C)CCNC(=O)C(=Cc1cccnc1)F 11a_100000210545_100000731744 [0,1,0,0,0,0|2,0,0]=3 1128 B17R1.9289 CC(C)CCNC(=O)C(=Cc1cccnc1)F 240690a_100000210545_100000731744 [0,1,0,0,0,0|2,0,0]=3 1129 B17R1.9289 CC(C)CCNC(=O)C(=Cc1cccnc1)F 527a_100000210545_100000731744 [0,1,0,0,0,0|2,0,0]=3 1130 B17R1.9289 CC(C)CCNC(=O)C(=O)Nc1ccccc1 240690a_100000210545_100000738435 [0,1,0,0,0,0|2,0,0]=3 1131 B17R1.9289 CC(C)CCNC(=O)C(C)Cc1ccccc1 11a_100000210545_100000754839 [0,1,0,0,0,0|1,0,2]=4 1132 B17R1.9289 CC(C)CCNC(=O)C(C)Cc1ccccc1 1626a_100000210545_100000754839 [0,1,0,0,0,0|1,0,2]=4 1133 B17R1.9289 CC(C)CCNC(=O)C(C)Cc1ccccc1 240690a_100000210545_100000754839 [0,1,0,0,0,0|1,0,2]=4 1134 B17R1.9289 CC(C)CCNC(=O)C(C)Cc1ccccc1 527a_100000210545_100000754839 [0,1,0,0,0,0|1,0,2]=4 1135 B17R1.9289 CC(C)CCNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000735922 [0,1,0,0,0,0|2,0,1]=4 1136 B17R1.9289 CC(C)CCNC(=O)C(C)Oc1ccccc1 11a_100000210545_100000188414 [0,1,0,0,0,0|2,0,1]=4 1137 B17R1.9289 CC(C)CCNC(=O)C(C)Oc1ccccc1 1626a_100000210545_100000188414 [0,1,0,0,0,0|2,0,1]=4 1138 B17R1.9289 CC(C)CCNC(=O)C(C)Oc1ccccc1 240690a_100000210545_100000188414 [0,1,0,0,0,0|2,0,1]=4 1139 B17R1.9289 CC(C)CCNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000735922 [0,1,0,0,0,0|2,0,1]=4 1140 B17R1.9289 CC(C)CCNC(=O)C(C)Oc1ccccc1 527a_100000210545_100000188414 [0,1,0,0,0,0|2,0,1]=4 1141 B17R1.9289 CC(C)CCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000735922 [0,1,0,0,0,0|2,0,1]=4 1142 B17R1.9289 CC(C)CCNC(=O)C(C)Sc1ccccc1 11a_100000210545_100000199063 [0,1,0,0,0,0|2,0,1]=4 1143 B17R1.9289 CC(C)CCNC(=O)C(C)Sc1ccccc1 1626a_100000210545_100000199063 [0,1,0,0,0,0|2,0,1]=4 1144 B17R1.9289 CC(C)CCNC(=O)C(C)Sc1ccccc1 240690a_100000210545_100000199063 [0,1,0,0,0,0|2,0,1]=4 1145 B17R1.9289 CC(C)CCNC(=O)C(C)Sc1ccccc1 527a_100000210545_100000199063 [0,1,0,0,0,0|2,0,1]=4 1146 B17R1.9289 CC(C)CCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000735922 [0,1,0,0,0,0|2,0,1]=4 1147 B17R1.9289 CC(C)CCNC(=O)C(C)Sc1ccccc1 62a_100000735922_100000041952 [0,1,0,0,0,0|2,0,1]=4 1148 B17R1.9289 CC(C)CCNC(=O)N(C)Cc1ccccc1 2708a_100000210545_100000186898 [0,1,0,0,0,0|2,0,1]=4 1149 B17R1.9289 CC(C)CCNC(=O)N(C)Cc1ccccc1 273464a_100000210545_100000186898 [0,1,0,0,0,0|2,0,1]=4 1150 B17R1.9289 CC(C)CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100000210545_100009816399 [0,1,0,0,0,0|1,0,2]=4 1151 B17R1.9289 CC(C)CCOC(C)C(=O)Nc1ccccc1 34a_100000210254_100000183986 [0,1,0,0,0,0|2,0,1]=4 1152 B17R1.9289 CC(C)CCOC(C)C(=O)Nc1ccccc1 7a_100000210254_100000183986 [0,1,0,0,0,0|2,0,1]=4 1153 B17R1.9289 CC(C)CNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000696102_200020598536 [0,1,0,0,0,0|2,0,0]=3 1154 B17R1.9289 CC(C)CNNC(=O)/C(=C\c1ccccc1)/F 22a_100000696102_100020889036 [0,1,0,0,0,0|2,0,0]=3 1155 B17R1.9289 CC(C)CNNC(=O)C(=Cc1cccnc1)F 22a_100000696102_100000731744 [0,1,0,0,0,0|3,0,0]=4 1156 B17R1.9289 CC(C)CNNC(=O)C(=O)Nc1ccccc1 22a_100000696102_100000738435 [0,1,0,0,0,0|3,0,0]=4 1157 B17R1.9289 CC(C)OCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211751 [0,1,0,0,0,0|2,0,0]=3 1158 B17R1.9289 CC(C)OCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211751 [0,1,0,0,0,0|2,0,0]=3 1159 B17R1.9289 CC(C)OCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000211751 [0,1,0,0,0,0|3,0,0]=4 1160 B17R1.9289 CC(C)OCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000211751 [0,1,0,0,0,0|3,0,0]=4 1161 B17R1.9289 CC(C)SCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000730970 [0,1,0,0,0,0|2,0,0]=3 1162 B17R1.9289 CC(C)SCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000730970 [0,1,0,0,0,0|2,0,0]=3 1163 B17R1.9289 CC(C)SCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000730970 [0,1,0,0,0,0|3,0,0]=4 1164 B17R1.9289 CC(C)SCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000730970 [0,1,0,0,0,0|3,0,0]=4 1165 B17R1.9289 CC(O)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000718107 [0,1,0,0,0,0|2,0,0]=3 1166 B17R1.9289 CC(O)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000718107 [0,1,0,0,0,0|2,0,0]=3 1167 B17R1.9289 CC(O)CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000718107 [0,1,0,0,0,0|3,0,0]=4 1168 B17R1.9289 CC(O)CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000718107 [0,1,0,0,0,0|3,0,0]=4 1169 B17R1.9289 CC(O)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_200000755665_200020598536 [0,1,0,0,0,0|2,0,0]=3 1170 B17R1.9289 CC(O)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_200000755665_200020598536 [0,1,0,0,0,0|2,0,0]=3 1171 B17R1.9289 CC(O)CCNC(=O)/C(=C\c1ccccc1)/F 527a_200000755665_100020889036 [0,1,0,0,0,0|2,0,0]=3 1172 B17R1.9289 CC(O)CCNC(=O)C(=Cc1cccnc1)F 240690a_200000755665_100000731744 [0,1,0,0,0,0|3,0,0]=4 1173 B17R1.9289 CC(O)CCNC(=O)C(=Cc1cccnc1)F 527a_200000755665_100000731744 [0,1,0,0,0,0|3,0,0]=4 1174 B17R1.9289 CC(O)CCNC(=O)C(=O)Nc1ccccc1 240690a_200000755665_100000738435 [0,1,0,0,0,0|3,0,0]=4 1175 B17R1.9289 CC(O)CNNC(=O)/C(=C/c1ccccc1)/Cl 22a_200000730056_200020598536 [0,1,0,0,0,0|3,0,0]=4 1176 B17R1.9289 CC(O)CNNC(=O)/C(=C\c1ccccc1)/F 22a_200000730056_100020889036 [0,1,0,0,0,0|3,0,0]=4 1177 B17R1.9289 CN(C)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000695564 [0,1,0,0,0,0|2,0,0]=3 1178 B17R1.9289 CN(C)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000695564 [0,1,0,0,0,0|2,0,0]=3 1179 B17R1.9289 CN(C)CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000695564 [0,1,0,0,0,0|3,0,0]=4 1180 B17R1.9289 CN(C)CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000695564 [0,1,0,0,0,0|3,0,0]=4 1181 B17R1.9289 CN(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210585_200020598536 [0,1,0,0,0,0|2,0,0]=3 1182 B17R1.9289 CN(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210585_200020598536 [0,1,0,0,0,0|2,0,0]=3 1183 B17R1.9289 CN(C)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000210585_100020889036 [0,1,0,0,0,0|2,0,0]=3 1184 B17R1.9289 CN(C)CCNC(=O)C(=Cc1cccnc1)F 240690a_100000210585_100000731744 [0,1,0,0,0,0|3,0,0]=4 1185 B17R1.9289 CN(C)CCNC(=O)C(=Cc1cccnc1)F 527a_100000210585_100000731744 [0,1,0,0,0,0|3,0,0]=4 1186 B17R1.9289 CN(C)CCNC(=O)C(=O)Nc1ccccc1 240690a_100000210585_100000738435 [0,1,0,0,0,0|3,0,0]=4 1187 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)Br)C 1458a_100016258244_100011217483 [0,1,0,0,0,0|1,0,2]=4 1188 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)C)C 1458a_100000690095_100011217483 [0,1,0,0,0,0|1,0,2]=4 1189 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)Cl)C 1458a_100000184502_100011217483 [0,1,0,0,0,0|1,0,2]=4 1190 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)F)C 1458a_100000718793_100011217483 [0,1,0,0,0,0|1,0,2]=4 1191 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)I)C 1458a_100020647043_100011217483 [0,1,0,0,0,0|1,0,2]=4 1192 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)Br)C 11a_100000718196_100016258244 [0,1,0,0,0,0|1,0,2]=4 1193 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)Br)C 1626a_100000718196_100016258244 [0,1,0,0,0,0|1,0,2]=4 1194 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)C)C 11a_100000718196_100000690095 [0,1,0,0,0,0|1,0,2]=4 1195 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)C)C 1626a_100000718196_100000690095 [0,1,0,0,0,0|1,0,2]=4 1196 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)Cl)C 11a_100000718196_100000184502 [0,1,0,0,0,0|1,0,2]=4 1197 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)Cl)C 1626a_100000718196_100000184502 [0,1,0,0,0,0|1,0,2]=4 1198 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)F)C 11a_100000718196_100000718793 [0,1,0,0,0,0|1,0,2]=4 1199 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)F)C 1626a_100000718196_100000718793 [0,1,0,0,0,0|1,0,2]=4 1200 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)I)C 11a_100000718196_100020647043 [0,1,0,0,0,0|1,0,2]=4 1201 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)I)C 1626a_100000718196_100020647043 [0,1,0,0,0,0|1,0,2]=4 1202 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215641 [0,1,0,0,0,0|2,0,1]=4 1203 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011215641 [0,1,0,0,0,0|2,0,1]=4 1204 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215641 [0,1,0,0,0,0|2,0,1]=4 1205 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215641 [0,1,0,0,0,0|2,0,1]=4 1206 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215641 [0,1,0,0,0,0|2,0,1]=4 1207 B17R1.14359 CC(C)CCCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100011214892 [0,1,0,0,0,0|1,0,2]=4 1208 B17R1.14359 CC(C)CCCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100011214892 [0,1,0,0,0,0|1,0,2]=4 1209 B17R1.14359 CC(C)CCCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100011214892 [0,1,0,0,0,0|1,0,2]=4 1210 B17R1.14359 CC(C)CCCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100011214892 [0,1,0,0,0,0|1,0,2]=4 1211 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011214892 [0,1,0,0,0,0|1,0,0]=2 1212 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000753411 [0,1,0,0,0,0|1,0,0]=2 1213 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011214892 [0,1,0,0,0,0|1,0,0]=2 1214 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011214892 [0,1,0,0,0,0|1,0,0]=2 1215 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000753411 [0,1,0,0,0,0|1,0,0]=2 1216 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011214892 [0,1,0,0,0,0|1,0,0]=2 1217 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000753411 [0,1,0,0,0,0|1,0,0]=2 1218 B17R1.14359 CC(C)CCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000753411 [0,1,0,0,0,0|2,0,0]=3 1219 B17R1.14359 CC(C)CCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000753411 [0,1,0,0,0,0|2,0,0]=3 1220 B17R1.14359 CC(C)CCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000753411 [0,1,0,0,0,0|2,0,0]=3 1221 B17R1.14359 CC(C)CCCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100011214892 [0,1,0,0,0,0|1,0,2]=4 1222 B17R1.14359 CC(C)CCCC(=O)CCc1cccc(c1)Br 1458a_100011216857_100011740638 [0,1,0,0,0,0|1,0,2]=4 1223 B17R1.14359 CC(C)CCCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100011214892 [0,1,0,0,0,0|1,0,2]=4 1224 B17R1.14359 CC(C)CCCC(=O)CCc1cccc(c1)Cl 1458a_100011216857_100011713710 [0,1,0,0,0,0|1,0,2]=4 1225 B17R1.14359 CC(C)CCCC(=O)CCc1cccc(c1)F 1458a_100000235673_100011214892 [0,1,0,0,0,0|1,0,2]=4 1226 B17R1.14359 CC(C)CCCC(=O)CCc1cccc(c1)F 1458a_100011216857_100011217235 [0,1,0,0,0,0|1,0,2]=4 1227 B17R1.14359 CC(C)CCCC(=O)CCc1cccc(c1)I 1458a_100010007846_100011214892 [0,1,0,0,0,0|1,0,2]=4 1228 B17R1.14359 CC(C)CCCC(=O)CCc1cccc(c1)O 1458a_100011216126_100011214892 [0,1,0,0,0,0|1,0,2]=4 1229 B17R1.14359 CC(C)CCCC(=O)COc1cccc(c1)Br 1458a_100000182359_100011214892 [0,1,0,0,0,0|2,0,1]=4 1230 B17R1.14359 CC(C)CCCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100011214892 [0,1,0,0,0,0|2,0,1]=4 1231 B17R1.14359 CC(C)CCCC(=O)COc1cccc(c1)F 1458a_100000182781_100011214892 [0,1,0,0,0,0|2,0,1]=4 1232 B17R1.14359 CC(C)CCCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100011214892 [0,1,0,0,0,0|2,0,1]=4 1233 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Br 11a_100000174977_100011216857 [0,1,0,0,0,0|2,0,1]=4 1234 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100011216857 [0,1,0,0,0,0|2,0,1]=4 1235 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100011216857 [0,1,0,0,0,0|2,0,1]=4 1236 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Br 527a_100000174977_100011216857 [0,1,0,0,0,0|2,0,1]=4 1237 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100011216857 [0,1,0,0,0,0|2,0,1]=4 1238 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100011216857 [0,1,0,0,0,0|2,0,1]=4 1239 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100011216857 [0,1,0,0,0,0|2,0,1]=4 1240 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100011216857 [0,1,0,0,0,0|2,0,1]=4 1241 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)F 11a_100000174948_100011216857 [0,1,0,0,0,0|2,0,1]=4 1242 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)F 1626a_100000174948_100011216857 [0,1,0,0,0,0|2,0,1]=4 1243 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)F 240690a_100000174948_100011216857 [0,1,0,0,0,0|2,0,1]=4 1244 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)F 527a_100000174948_100011216857 [0,1,0,0,0,0|2,0,1]=4 1245 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)I 11a_100000106179_100011216857 [0,1,0,0,0,0|2,0,1]=4 1246 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)I 1626a_100000106179_100011216857 [0,1,0,0,0,0|2,0,1]=4 1247 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)I 240690a_100000106179_100011216857 [0,1,0,0,0,0|2,0,1]=4 1248 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)I 527a_100000106179_100011216857 [0,1,0,0,0,0|2,0,1]=4 1249 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)O 240690a_100000743036_100011216857 [0,1,0,0,0,0|2,0,1]=4 1250 B17R1.14359 CC(C)CCCC(=O)NCc1cccc(c1)O 527a_100000743036_100011216857 [0,1,0,0,0,0|2,0,1]=4 1251 B17R1.14359 CC(C)CCCC(=O)NNc1cccc(c1)Br 22a_100000217339_100011216857 [0,1,0,0,0,0|3,0,0]=4 1252 B17R1.14359 CC(C)CCCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100011216857 [0,1,0,0,0,0|3,0,0]=4 1253 B17R1.14359 CC(C)CCCC(=O)NNc1cccc(c1)F 22a_100000745080_100011216857 [0,1,0,0,0,0|3,0,0]=4 1254 B17R1.14359 CC(C)CCCC(=O)NNc1cccc(c1)I 22a_100020605690_100011216857 [0,1,0,0,0,0|3,0,0]=4 1255 B17R1.14359 CC(C)CCNC(=O)C#Cc1cccc(c1)Cl 240690a_100000210545_100011892777 [0,1,0,0,0,0|1,0,2]=4 1256 B17R1.14359 CC(C)CCNC(=O)C#Cc1cccc(c1)F 240690a_100000210545_100011892744 [0,1,0,0,0,0|1,0,2]=4 1257 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Br 11a_100000210545_100016258244 [0,1,0,0,0,0|1,0,0]=2 1258 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000210545_100016258244 [0,1,0,0,0,0|1,0,0]=2 1259 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000210545_100016258244 [0,1,0,0,0,0|1,0,0]=2 1260 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl 11a_100000210545_100000184502 [0,1,0,0,0,0|1,0,0]=2 1261 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000210545_100000184502 [0,1,0,0,0,0|1,0,0]=2 1262 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210545_100000184502 [0,1,0,0,0,0|1,0,0]=2 1263 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)F 11a_100000210545_100000718793 [0,1,0,0,0,0|1,0,0]=2 1264 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)F 1626a_100000210545_100000718793 [0,1,0,0,0,0|1,0,0]=2 1265 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)F 240690a_100000210545_100000718793 [0,1,0,0,0,0|1,0,0]=2 1266 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)I 11a_100000210545_100020647043 [0,1,0,0,0,0|1,0,0]=2 1267 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)I 1626a_100000210545_100020647043 [0,1,0,0,0,0|1,0,0]=2 1268 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)I 240690a_100000210545_100020647043 [0,1,0,0,0,0|1,0,0]=2 1269 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Br 11a_100000210545_100000184314 [0,1,0,0,0,0|1,0,2]=4 1270 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Br 1626a_100000210545_100000184314 [0,1,0,0,0,0|1,0,2]=4 1271 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Br 240690a_100000210545_100000184314 [0,1,0,0,0,0|1,0,2]=4 1272 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Br 527a_100000210545_100000184314 [0,1,0,0,0,0|1,0,2]=4 1273 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Cl 11a_100000210545_100000235675 [0,1,0,0,0,0|1,0,2]=4 1274 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Cl 1626a_100000210545_100000235675 [0,1,0,0,0,0|1,0,2]=4 1275 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Cl 240690a_100000210545_100000235675 [0,1,0,0,0,0|1,0,2]=4 1276 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)Cl 527a_100000210545_100000235675 [0,1,0,0,0,0|1,0,2]=4 1277 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)F 11a_100000210545_100000235673 [0,1,0,0,0,0|1,0,2]=4 1278 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)F 1626a_100000210545_100000235673 [0,1,0,0,0,0|1,0,2]=4 1279 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)F 240690a_100000210545_100000235673 [0,1,0,0,0,0|1,0,2]=4 1280 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)F 527a_100000210545_100000235673 [0,1,0,0,0,0|1,0,2]=4 1281 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)I 11a_100000210545_100010007846 [0,1,0,0,0,0|1,0,2]=4 1282 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)I 1626a_100000210545_100010007846 [0,1,0,0,0,0|1,0,2]=4 1283 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)I 240690a_100000210545_100010007846 [0,1,0,0,0,0|1,0,2]=4 1284 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)I 527a_100000210545_100010007846 [0,1,0,0,0,0|1,0,2]=4 1285 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)O 240690a_100000210545_100011216126 [0,1,0,0,0,0|1,0,2]=4 1286 B17R1.14359 CC(C)CCNC(=O)CCc1cccc(c1)O 527a_100000210545_100011216126 [0,1,0,0,0,0|1,0,2]=4 1287 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Br 11a_100000210545_100000182359 [0,1,0,0,0,0|2,0,1]=4 1288 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Br 1626a_100000210545_100000182359 [0,1,0,0,0,0|2,0,1]=4 1289 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Br 240690a_100000210545_100000182359 [0,1,0,0,0,0|2,0,1]=4 1290 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Br 527a_100000210545_100000182359 [0,1,0,0,0,0|2,0,1]=4 1291 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Cl 11a_100000210545_100000184978 [0,1,0,0,0,0|2,0,1]=4 1292 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Cl 1626a_100000210545_100000184978 [0,1,0,0,0,0|2,0,1]=4 1293 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Cl 240690a_100000210545_100000184978 [0,1,0,0,0,0|2,0,1]=4 1294 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)Cl 527a_100000210545_100000184978 [0,1,0,0,0,0|2,0,1]=4 1295 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)F 11a_100000210545_100000182781 [0,1,0,0,0,0|2,0,1]=4 1296 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)F 1626a_100000210545_100000182781 [0,1,0,0,0,0|2,0,1]=4 1297 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)F 240690a_100000210545_100000182781 [0,1,0,0,0,0|2,0,1]=4 1298 B17R1.14359 CC(C)CCNC(=O)COc1cccc(c1)F 527a_100000210545_100000182781 [0,1,0,0,0,0|2,0,1]=4 1299 B17R1.14359 CC(C)CCNC(=O)CSc1cccc(c1)Br 11a_100000210545_100000760868 [0,1,0,0,0,0|2,0,1]=4 1300 B17R1.14359 CC(C)CCNC(=O)CSc1cccc(c1)Br 1626a_100000210545_100000760868 [0,1,0,0,0,0|2,0,1]=4 1301 B17R1.14359 CC(C)CCNC(=O)CSc1cccc(c1)Br 240690a_100000210545_100000760868 [0,1,0,0,0,0|2,0,1]=4 1302 B17R1.14359 CC(C)CCNC(=O)CSc1cccc(c1)Br 527a_100000210545_100000760868 [0,1,0,0,0,0|2,0,1]=4 1303 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100000210545 [0,1,0,0,0,0|2,0,1]=4 1304 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Br 2708a_100000210545_100000174977 [0,1,0,0,0,0|2,0,1]=4 1305 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100000210545 [0,1,0,0,0,0|2,0,1]=4 1306 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Br 273464a_100000210545_100000174977 [0,1,0,0,0,0|2,0,1]=4 1307 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Br 512a_100000174977_100000210545 [0,1,0,0,0,0|2,0,1]=4 1308 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Br 512a_100000210545_100000174977 [0,1,0,0,0,0|2,0,1]=4 1309 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100000210545 [0,1,0,0,0,0|2,0,1]=4 1310 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Cl 2708a_100000210545_100000174878 [0,1,0,0,0,0|2,0,1]=4 1311 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100000210545 [0,1,0,0,0,0|2,0,1]=4 1312 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Cl 273464a_100000210545_100000174878 [0,1,0,0,0,0|2,0,1]=4 1313 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100000210545 [0,1,0,0,0,0|2,0,1]=4 1314 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)Cl 512a_100000210545_100000174878 [0,1,0,0,0,0|2,0,1]=4 1315 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)F 2708a_100000174948_100000210545 [0,1,0,0,0,0|2,0,1]=4 1316 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)F 2708a_100000210545_100000174948 [0,1,0,0,0,0|2,0,1]=4 1317 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)F 273464a_100000174948_100000210545 [0,1,0,0,0,0|2,0,1]=4 1318 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)F 273464a_100000210545_100000174948 [0,1,0,0,0,0|2,0,1]=4 1319 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)F 512a_100000174948_100000210545 [0,1,0,0,0,0|2,0,1]=4 1320 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)F 512a_100000210545_100000174948 [0,1,0,0,0,0|2,0,1]=4 1321 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)I 2708a_100000106179_100000210545 [0,1,0,0,0,0|2,0,1]=4 1322 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)I 2708a_100000210545_100000106179 [0,1,0,0,0,0|2,0,1]=4 1323 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)I 273464a_100000106179_100000210545 [0,1,0,0,0,0|2,0,1]=4 1324 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)I 273464a_100000210545_100000106179 [0,1,0,0,0,0|2,0,1]=4 1325 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)I 512a_100000106179_100000210545 [0,1,0,0,0,0|2,0,1]=4 1326 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)I 512a_100000210545_100000106179 [0,1,0,0,0,0|2,0,1]=4 1327 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)O 2708a_100000210545_100000743036 [0,1,0,0,0,0|2,0,1]=4 1328 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)O 2708a_100000743036_100000210545 [0,1,0,0,0,0|2,0,1]=4 1329 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)O 273464a_100000210545_100000743036 [0,1,0,0,0,0|2,0,1]=4 1330 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)O 273464a_100000743036_100000210545 [0,1,0,0,0,0|2,0,1]=4 1331 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)O 512a_100000210545_100000743036 [0,1,0,0,0,0|2,0,1]=4 1332 B17R1.14359 CC(C)CCNC(=O)NCc1cccc(c1)O 512a_100000743036_100000210545 [0,1,0,0,0,0|2,0,1]=4 1333 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)Br 273464a_100000210545_100000217339 [0,1,0,0,0,0|3,0,0]=4 1334 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)Br 512a_100000210545_100000217339 [0,1,0,0,0,0|3,0,0]=4 1335 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)Br 512a_100000217339_100000210545 [0,1,0,0,0,0|3,0,0]=4 1336 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)Cl 273464a_100000210545_100000184277 [0,1,0,0,0,0|3,0,0]=4 1337 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)Cl 512a_100000210545_100000184277 [0,1,0,0,0,0|3,0,0]=4 1338 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)F 273464a_100000210545_100000745080 [0,1,0,0,0,0|3,0,0]=4 1339 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)F 512a_100000210545_100000745080 [0,1,0,0,0,0|3,0,0]=4 1340 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)F 512a_100000745080_100000210545 [0,1,0,0,0,0|3,0,0]=4 1341 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)I 273464a_100000210545_100020605690 [0,1,0,0,0,0|3,0,0]=4 1342 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)I 512a_100000210545_100020605690 [0,1,0,0,0,0|3,0,0]=4 1343 B17R1.14359 CC(C)CCNC(=O)NNc1cccc(c1)I 512a_100020605690_100000210545 [0,1,0,0,0,0|3,0,0]=4 1344 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)Br 22a_100000696102_100016258244 [0,1,0,0,0,0|2,0,0]=3 1345 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)Cl 22a_100000696102_100000184502 [0,1,0,0,0,0|2,0,0]=3 1346 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)F 22a_100000696102_100000718793 [0,1,0,0,0,0|2,0,0]=3 1347 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)I 22a_100000696102_100020647043 [0,1,0,0,0,0|2,0,0]=3 1348 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)O 22a_100000696102_100102525460 [0,1,0,0,0,0|2,0,0]=3 1349 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000211751 [0,1,0,0,0,0|2,0,0]=3 1350 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011219172 [0,1,0,0,0,0|2,0,0]=3 1351 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000211751 [0,1,0,0,0,0|2,0,0]=3 1352 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000211751 [0,1,0,0,0,0|2,0,0]=3 1353 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011219172 [0,1,0,0,0,0|2,0,0]=3 1354 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000211751 [0,1,0,0,0,0|2,0,0]=3 1355 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011219172 [0,1,0,0,0,0|2,0,0]=3 1356 B17R1.14359 CC(C)OCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_200011219172 [0,1,0,0,0,0|3,0,0]=4 1357 B17R1.14359 CC(C)OCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_200011219172 [0,1,0,0,0,0|3,0,0]=4 1358 B17R1.14359 CC(C)OCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_200011219172 [0,1,0,0,0,0|3,0,0]=4 1359 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000730970 [0,1,0,0,0,0|2,0,0]=3 1360 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000730970 [0,1,0,0,0,0|2,0,0]=3 1361 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000730970 [0,1,0,0,0,0|2,0,0]=3 1362 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000730970 [0,1,0,0,0,0|2,0,0]=3 1363 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000718107 [0,1,0,0,0,0|2,0,0]=3 1364 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000718107 [0,1,0,0,0,0|2,0,0]=3 1365 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000718107 [0,1,0,0,0,0|2,0,0]=3 1366 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000718107 [0,1,0,0,0,0|2,0,0]=3 1367 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)Br 240690a_200000755665_100016258244 [0,1,0,0,0,0|2,0,0]=3 1368 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_200000755665_100000184502 [0,1,0,0,0,0|2,0,0]=3 1369 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)F 240690a_200000755665_100000718793 [0,1,0,0,0,0|2,0,0]=3 1370 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)I 240690a_200000755665_100020647043 [0,1,0,0,0,0|2,0,0]=3 1371 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)Br 22a_200000730056_100016258244 [0,1,0,0,0,0|3,0,0]=4 1372 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)Cl 22a_200000730056_100000184502 [0,1,0,0,0,0|3,0,0]=4 1373 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)F 22a_200000730056_100000718793 [0,1,0,0,0,0|3,0,0]=4 1374 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)I 22a_200000730056_100020647043 [0,1,0,0,0,0|3,0,0]=4 1375 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)O 22a_200000730056_100102525460 [0,1,0,0,0,0|3,0,0]=4 1376 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000695564 [0,1,0,0,0,0|2,0,0]=3 1377 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000695564 [0,1,0,0,0,0|2,0,0]=3 1378 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000695564 [0,1,0,0,0,0|2,0,0]=3 1379 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000695564 [0,1,0,0,0,0|2,0,0]=3 1380 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000210585_100016258244 [0,1,0,0,0,0|2,0,0]=3 1381 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210585_100000184502 [0,1,0,0,0,0|2,0,0]=3 1382 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)F 240690a_100000210585_100000718793 [0,1,0,0,0,0|2,0,0]=3 1383 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)I 240690a_100000210585_100020647043 [0,1,0,0,0,0|2,0,0]=3 1384 B17R1.14359 Cc1cccc(c1)C#CC(=O)CCCC(C)C 1458a_100011892726_100011214892 [0,1,0,0,0,0|1,0,2]=4 1385 B17R1.14359 Cc1cccc(c1)C#CC(=O)NCCC(C)C 240690a_100000210545_100011892726 [0,1,0,0,0,0|1,0,2]=4 1386 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCCC(C)C 1458a_100000690095_100011214892 [0,1,0,0,0,0|1,0,0]=2 1387 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCCC(C)O 1458a_100000690095_200000718107 [0,1,0,0,0,0|2,0,0]=3 1388 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCCN(C)C 1458a_100000690095_100000695564 [0,1,0,0,0,0|2,0,0]=3 1389 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCOC(C)C 1458a_100000690095_100000211751 [0,1,0,0,0,0|2,0,0]=3 1390 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCSC(C)C 1458a_100000690095_100000730970 [0,1,0,0,0,0|2,0,0]=3 1391 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)C 11a_100000210545_100000690095 [0,1,0,0,0,0|1,0,0]=2 1392 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)C 1626a_100000210545_100000690095 [0,1,0,0,0,0|1,0,0]=2 1393 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)C 240690a_100000210545_100000690095 [0,1,0,0,0,0|1,0,0]=2 1394 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)O 240690a_200000755665_100000690095 [0,1,0,0,0,0|2,0,0]=3 1395 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCN(C)C 240690a_100000210585_100000690095 [0,1,0,0,0,0|2,0,0]=3 1396 B17R1.14359 Cc1cccc(c1)C=CC(=O)NNCC(C)C 22a_100000696102_100000690095 [0,1,0,0,0,0|2,0,0]=3 1397 B17R1.14359 Cc1cccc(c1)C=CC(=O)NNCC(C)O 22a_200000730056_100000690095 [0,1,0,0,0,0|3,0,0]=4 1398 B17R1.14359 Cc1cccc(c1)CCC(=O)CCCC(C)C 1458a_100000234952_100011214892 [0,1,0,0,0,0|1,0,2]=4 1399 B17R1.14359 Cc1cccc(c1)CCC(=O)CCCC(C)C 1458a_100011216857_100011713685 [0,1,0,0,0,0|1,0,2]=4 1400 B17R1.14359 Cc1cccc(c1)CCC(=O)NCCC(C)C 11a_100000210545_100000234952 [0,1,0,0,0,0|1,0,2]=4 1401 B17R1.14359 Cc1cccc(c1)CCC(=O)NCCC(C)C 1626a_100000210545_100000234952 [0,1,0,0,0,0|1,0,2]=4 1402 B17R1.14359 Cc1cccc(c1)CCC(=O)NCCC(C)C 240690a_100000210545_100000234952 [0,1,0,0,0,0|1,0,2]=4 1403 B17R1.14359 Cc1cccc(c1)CCC(=O)NCCC(C)C 527a_100000210545_100000234952 [0,1,0,0,0,0|1,0,2]=4 1404 B17R1.14359 Cc1cccc(c1)CNC(=O)CCCC(C)C 11a_100000185548_100011216857 [0,1,0,0,0,0|2,0,1]=4 1405 B17R1.14359 Cc1cccc(c1)CNC(=O)CCCC(C)C 1626a_100000185548_100011216857 [0,1,0,0,0,0|2,0,1]=4 1406 B17R1.14359 Cc1cccc(c1)CNC(=O)CCCC(C)C 240690a_100000185548_100011216857 [0,1,0,0,0,0|2,0,1]=4 1407 B17R1.14359 Cc1cccc(c1)CNC(=O)CCCC(C)C 527a_100000185548_100011216857 [0,1,0,0,0,0|2,0,1]=4 1408 B17R1.14359 Cc1cccc(c1)CNC(=O)NCCC(C)C 2708a_100000185548_100000210545 [0,1,0,0,0,0|2,0,1]=4 1409 B17R1.14359 Cc1cccc(c1)CNC(=O)NCCC(C)C 2708a_100000210545_100000185548 [0,1,0,0,0,0|2,0,1]=4 1410 B17R1.14359 Cc1cccc(c1)CNC(=O)NCCC(C)C 273464a_100000185548_100000210545 [0,1,0,0,0,0|2,0,1]=4 1411 B17R1.14359 Cc1cccc(c1)CNC(=O)NCCC(C)C 273464a_100000210545_100000185548 [0,1,0,0,0,0|2,0,1]=4 1412 B17R1.14359 Cc1cccc(c1)CNC(=O)NCCC(C)C 512a_100000185548_100000210545 [0,1,0,0,0,0|2,0,1]=4 1413 B17R1.14359 Cc1cccc(c1)CNC(=O)NCCC(C)C 512a_100000210545_100000185548 [0,1,0,0,0,0|2,0,1]=4 1414 B17R1.14359 Cc1cccc(c1)NNC(=O)CCCC(C)C 22a_100000681630_100011216857 [0,1,0,0,0,0|3,0,0]=4 1415 B17R1.14359 Cc1cccc(c1)NNC(=O)NCCC(C)C 273464a_100000210545_100000681630 [0,1,0,0,0,0|3,0,0]=4 1416 B17R1.14359 Cc1cccc(c1)NNC(=O)NCCC(C)C 512a_100000210545_100000681630 [0,1,0,0,0,0|3,0,0]=4 1417 B17R1.14359 Cc1cccc(c1)NNC(=O)NCCC(C)C 512a_100000681630_100000210545 [0,1,0,0,0,0|3,0,0]=4 1418 B17R1.14359 Cc1cccc(c1)OCC(=O)CCCC(C)C 1458a_100000183606_100011214892 [0,1,0,0,0,0|2,0,1]=4 1419 B17R1.14359 Cc1cccc(c1)OCC(=O)NCCC(C)C 11a_100000210545_100000183606 [0,1,0,0,0,0|2,0,1]=4 1420 B17R1.14359 Cc1cccc(c1)OCC(=O)NCCC(C)C 1626a_100000210545_100000183606 [0,1,0,0,0,0|2,0,1]=4 1421 B17R1.14359 Cc1cccc(c1)OCC(=O)NCCC(C)C 240690a_100000210545_100000183606 [0,1,0,0,0,0|2,0,1]=4 1422 B17R1.14359 Cc1cccc(c1)OCC(=O)NCCC(C)C 527a_100000210545_100000183606 [0,1,0,0,0,0|2,0,1]=4 1423 B17R1.14359 Cc1cncc(c1)C=CC(=O)CCCC(C)C 6a_100011998712_100000753411 [0,1,0,0,0,0|2,0,0]=3 1424 B17R1.14359 Cc1cncc(c1)C=CC(=O)CCOC(C)C 6a_100011998712_200011219172 [0,1,0,0,0,0|3,0,0]=4 1425 B17R1.14359 Cc1cncc(n1)C=CC(=O)CCCC(C)C 6a_100000100294_100000753411 [0,1,0,0,0,0|3,0,0]=4 1426 B17R1.16221 CC(C)CCNS(=O)(=O)C=Cc1ccccc1 40a_100000210545_100011098038 [0,1,0,0,0,0|2,0,0]=3 1427 B17R1.16221 CC(C)CNNS(=O)(=O)C=Cc1ccccc1 40a_100000696102_100011098038 [0,1,0,0,0,0|3,0,0]=4 1428 B17R1.16221 CC(O)CCNS(=O)(=O)C=Cc1ccccc1 40a_200000755665_100011098038 [0,1,0,0,0,0|3,0,0]=4 1429 B17R1.16221 CN(C)CCNS(=O)(=O)C=Cc1ccccc1 40a_100000210585_100011098038 [0,1,0,0,0,0|3,0,0]=4 1430 B17R1.16524 CC(C)CC(C)CC(=O)C=Cc1cncnc1 6a_100000749868_100000698951 [0,1,0,0,0,0|3,0,0]=4 1431 B17R1.16524 CC(C)CC(C)NC(=O)C#Cc1ccccc1 240690a_100000692259_100000736102 [0,1,0,0,0,0|1,0,2]=4 1432 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccc1 11a_100000692259_100000210462 [0,1,0,0,0,0|1,0,0]=2 1433 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccc1 1626a_100000692259_100000210462 [0,1,0,0,0,0|1,0,0]=2 1434 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccn1 11a_100000692259_100000740811 [0,1,0,0,0,0|2,0,0]=3 1435 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccn1 240690a_100000692259_100000740811 [0,1,0,0,0,0|2,0,0]=3 1436 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1cccnc1 11a_100000692259_100000735890 [0,1,0,0,0,0|2,0,0]=3 1437 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1cccnc1 240690a_100000692259_100000735890 [0,1,0,0,0,0|2,0,0]=3 1438 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccncc1 240690a_100000692259_100000682801 [0,1,0,0,0,0|2,0,0]=3 1439 B17R1.16524 CC(C)CC(C)NC(=O)CCc1ccccc1 11a_100000692259_100000185753 [0,1,0,0,0,0|1,0,2]=4 1440 B17R1.16524 CC(C)CC(C)NC(=O)CCc1ccccc1 1626a_100000692259_100000185753 [0,1,0,0,0,0|1,0,2]=4 1441 B17R1.16524 CC(C)CC(C)NC(=O)CCc1ccccc1 240690a_100000692259_100000185753 [0,1,0,0,0,0|1,0,2]=4 1442 B17R1.16524 CC(C)CC(C)NC(=O)CCc1ccccc1 527a_100000692259_100000185753 [0,1,0,0,0,0|1,0,2]=4 1443 B17R1.16524 CC(C)CC(C)NC(=O)COc1ccccc1 11a_100000692259_100000186222 [0,1,0,0,0,0|2,0,1]=4 1444 B17R1.16524 CC(C)CC(C)NC(=O)COc1ccccc1 1626a_100000692259_100000186222 [0,1,0,0,0,0|2,0,1]=4 1445 B17R1.16524 CC(C)CC(C)NC(=O)COc1ccccc1 240690a_100000692259_100000186222 [0,1,0,0,0,0|2,0,1]=4 1446 B17R1.16524 CC(C)CC(C)NC(=O)COc1ccccc1 527a_100000692259_100000186222 [0,1,0,0,0,0|2,0,1]=4 1447 B17R1.16524 CC(C)CC(C)NC(=O)CSc1ccccc1 11a_100000692259_100000211596 [0,1,0,0,0,0|2,0,1]=4 1448 B17R1.16524 CC(C)CC(C)NC(=O)CSc1ccccc1 1626a_100000692259_100000211596 [0,1,0,0,0,0|2,0,1]=4 1449 B17R1.16524 CC(C)CC(C)NC(=O)CSc1ccccc1 240690a_100000692259_100000211596 [0,1,0,0,0,0|2,0,1]=4 1450 B17R1.16524 CC(C)CC(C)NC(=O)CSc1ccccc1 527a_100000692259_100000211596 [0,1,0,0,0,0|2,0,1]=4 1451 B17R1.16524 CC(C)CC(C)NC(=O)NCc1ccccc1 2708a_100000692259_100015324214 [0,1,0,0,0,0|2,0,1]=4 1452 B17R1.16524 CC(C)CC(C)NC(=O)NCc1ccccc1 2708a_100015324214_100000692259 [0,1,0,0,0,0|2,0,1]=4 1453 B17R1.16524 CC(C)CC(C)NC(=O)NCc1ccccc1 273464a_100000692259_100015324214 [0,1,0,0,0,0|2,0,1]=4 1454 B17R1.16524 CC(C)CC(C)NC(=O)NCc1ccccc1 512a_100000692259_100015324214 [0,1,0,0,0,0|2,0,1]=4 1455 B17R1.16524 CC(C)CC(C)NC(=O)NCc1ccccc1 512a_100015324214_100000692259 [0,1,0,0,0,0|2,0,1]=4 1456 B17R1.16524 CC(C)CC(C)NC(=O)NNc1ccccc1 273464a_100000692259_100015195140 [0,1,0,0,0,0|3,0,0]=4 1457 B17R1.16524 CC(C)CC(C)NC(=O)NNc1ccccc1 512a_100000692259_100015195140 [0,1,0,0,0,0|3,0,0]=4 1458 B17R1.16524 CC(C)NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183996 [0,1,0,0,0,0|2,0,1]=4 1459 B17R1.16524 CC(C)OC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011215430 [0,1,0,0,0,0|2,0,1]=4 1460 B17R1.16524 CC(C)SC(C)OC(=O)OCc1ccccc1 62a_100000210206_200015597219 [0,1,0,0,0,0|2,0,1]=4 1461 B17R1.16524 CC(C)SC(C)OC(=O)OCc1ccccc1 62a_200015597219_100000210206 [0,1,0,0,0,0|2,0,1]=4 1462 B17R1.16524 CC(CN(C)C)NC(=O)C=Cc1ccccc1 11a_100016992788_100000210462 [0,1,0,0,0,0|2,0,0]=3 1463 B17R1.16524 CC(CN(C)C)NC(=O)C=Cc1ccccn1 11a_100016992788_100000740811 [0,1,0,0,0,0|3,0,0]=4 1464 B17R1.16524 CC(CN(C)C)NC(=O)C=Cc1ccccn1 240690a_100016992788_100000740811 [0,1,0,0,0,0|3,0,0]=4 1465 B17R1.16524 CC(CN(C)C)NC(=O)C=Cc1cccnc1 11a_100016992788_100000735890 [0,1,0,0,0,0|3,0,0]=4 1466 B17R1.16524 CC(CN(C)C)NC(=O)C=Cc1cccnc1 240690a_100016992788_100000735890 [0,1,0,0,0,0|3,0,0]=4 1467 B17R1.16524 CC(CN(C)C)NC(=O)C=Cc1ccncc1 240690a_100016992788_100000682801 [0,1,0,0,0,0|3,0,0]=4 1468 B17R1.16633 CC(C)C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210206 [0,1,0,0,0,0|1,0,1]=3 1469 B17R1.16633 CC(C)C(=O)NNC(=O)C=Cc1ccccc1 22a_100000184118_100000210462 [0,1,0,0,0,0|2,0,1]=4 1470 B17R1.16633 CC(C)C(=O)OCC(=O)C=Cc1ccccc1 1458a_100000210462_100000139345 [0,1,0,0,0,0|2,0,1]=4 1471 B17R1.16633 CC(C)C(O)CNC(=O)C#Cc1ccccc1 240690a_100000759067_100000736102 [0,1,0,0,0,0|1,0,2]=4 1472 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccccc1 11a_100000759067_100000210462 [0,1,0,0,0,0|1,0,0]=2 1473 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccccn1 11a_100000759067_100000740811 [0,1,0,0,0,0|2,0,0]=3 1474 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccccn1 240690a_100000759067_100000740811 [0,1,0,0,0,0|2,0,0]=3 1475 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1cccnc1 11a_100000759067_100000735890 [0,1,0,0,0,0|2,0,0]=3 1476 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1cccnc1 240690a_100000759067_100000735890 [0,1,0,0,0,0|2,0,0]=3 1477 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccncc1 240690a_100000759067_100000682801 [0,1,0,0,0,0|2,0,0]=3 1478 B17R1.16633 CC(C)C(O)CNC(=O)CCc1ccccc1 11a_100000759067_100000185753 [0,1,0,0,0,0|1,0,2]=4 1479 B17R1.16633 CC(C)C(O)CNC(=O)CCc1ccccc1 240690a_100000759067_100000185753 [0,1,0,0,0,0|1,0,2]=4 1480 B17R1.16633 CC(C)C(O)CNC(=O)CCc1ccccc1 527a_100000759067_100000185753 [0,1,0,0,0,0|1,0,2]=4 1481 B17R1.16633 CC(C)C(O)CNC(=O)COc1ccccc1 11a_100000759067_100000186222 [0,1,0,0,0,0|2,0,1]=4 1482 B17R1.16633 CC(C)C(O)CNC(=O)COc1ccccc1 240690a_100000759067_100000186222 [0,1,0,0,0,0|2,0,1]=4 1483 B17R1.16633 CC(C)C(O)CNC(=O)COc1ccccc1 527a_100000759067_100000186222 [0,1,0,0,0,0|2,0,1]=4 1484 B17R1.16633 CC(C)C(O)CNC(=O)CSc1ccccc1 11a_100000759067_100000211596 [0,1,0,0,0,0|2,0,1]=4 1485 B17R1.16633 CC(C)C(O)CNC(=O)CSc1ccccc1 240690a_100000759067_100000211596 [0,1,0,0,0,0|2,0,1]=4 1486 B17R1.16633 CC(C)C(O)CNC(=O)CSc1ccccc1 527a_100000759067_100000211596 [0,1,0,0,0,0|2,0,1]=4 1487 B17R1.16633 CC(C)C(O)CNC(=O)NCc1ccccc1 2708a_100015324214_100000759067 [0,1,0,0,0,0|2,0,1]=4 1488 B17R1.16633 CC(C)C(O)CNC(=O)NCc1ccccc1 273464a_100000759067_100015324214 [0,1,0,0,0,0|2,0,1]=4 1489 B17R1.16633 CC(C)C(O)CNC(=O)NCc1ccccc1 273464a_100015324214_100000759067 [0,1,0,0,0,0|2,0,1]=4 1490 B17R1.16633 CC(C)C(O)CNC(=O)NCc1ccccc1 512a_100000759067_100015324214 [0,1,0,0,0,0|2,0,1]=4 1491 B17R1.16633 CC(C)C(O)CNC(=O)NCc1ccccc1 512a_100015324214_100000759067 [0,1,0,0,0,0|2,0,1]=4 1492 B17R1.16633 CC(C)C(O)CNC(=O)NNc1ccccc1 273464a_100000759067_100015195140 [0,1,0,0,0,0|3,0,0]=4 1493 B17R1.16633 CC(C)C(O)CNC(=O)NNc1ccccc1 512a_100000759067_100015195140 [0,1,0,0,0,0|3,0,0]=4 1494 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 11a_100102631434_100000183125 [0,1,0,0,0,0|2,0,1]=4 1495 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 240690a_100102631434_100000183125 [0,1,0,0,0,0|2,0,1]=4 1496 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 527a_100102631434_100000183125 [0,1,0,0,0,0|2,0,1]=4 1497 B17R1.16633 CN(C)C(=O)CNC(=O)C=Cc1ccccc1 11a_100015183351_100000210462 [0,1,0,0,0,0|2,0,1]=4 1498 B17R1.40529 CC(C)(C)CCNC(=O)C#Cc1ccccc1 240690a_100000738805_100000736102 [0,1,0,0,0,0|1,0,2]=4 1499 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccc1 11a_100000738805_100000210462 [0,1,0,0,0,0|1,0,0]=2 1500 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccc1 1626a_100000738805_100000210462 [0,1,0,0,0,0|1,0,0]=2 1501 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccn1 11a_100000738805_100000740811 [0,1,0,0,0,0|2,0,0]=3 1502 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccn1 240690a_100000738805_100000740811 [0,1,0,0,0,0|2,0,0]=3 1503 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1cccnc1 11a_100000738805_100000735890 [0,1,0,0,0,0|2,0,0]=3 1504 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1cccnc1 240690a_100000738805_100000735890 [0,1,0,0,0,0|2,0,0]=3 1505 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccncc1 240690a_100000738805_100000682801 [0,1,0,0,0,0|2,0,0]=3 1506 B17R1.40529 CC(C)(C)CCNC(=O)CCc1ccccc1 11a_100000738805_100000185753 [0,1,0,0,0,0|1,0,2]=4 1507 B17R1.40529 CC(C)(C)CCNC(=O)CCc1ccccc1 1626a_100000738805_100000185753 [0,1,0,0,0,0|1,0,2]=4 1508 B17R1.40529 CC(C)(C)CCNC(=O)CCc1ccccc1 240690a_100000738805_100000185753 [0,1,0,0,0,0|1,0,2]=4 1509 B17R1.40529 CC(C)(C)CCNC(=O)CCc1ccccc1 527a_100000738805_100000185753 [0,1,0,0,0,0|1,0,2]=4 1510 B17R1.40529 CC(C)(C)CCNC(=O)COc1ccccc1 11a_100000738805_100000186222 [0,1,0,0,0,0|2,0,1]=4 1511 B17R1.40529 CC(C)(C)CCNC(=O)COc1ccccc1 1626a_100000738805_100000186222 [0,1,0,0,0,0|2,0,1]=4 1512 B17R1.40529 CC(C)(C)CCNC(=O)COc1ccccc1 240690a_100000738805_100000186222 [0,1,0,0,0,0|2,0,1]=4 1513 B17R1.40529 CC(C)(C)CCNC(=O)COc1ccccc1 527a_100000738805_100000186222 [0,1,0,0,0,0|2,0,1]=4 1514 B17R1.40529 CC(C)(C)CCNC(=O)CSc1ccccc1 11a_100000738805_100000211596 [0,1,0,0,0,0|2,0,1]=4 1515 B17R1.40529 CC(C)(C)CCNC(=O)CSc1ccccc1 1626a_100000738805_100000211596 [0,1,0,0,0,0|2,0,1]=4 1516 B17R1.40529 CC(C)(C)CCNC(=O)CSc1ccccc1 240690a_100000738805_100000211596 [0,1,0,0,0,0|2,0,1]=4 1517 B17R1.40529 CC(C)(C)CCNC(=O)CSc1ccccc1 527a_100000738805_100000211596 [0,1,0,0,0,0|2,0,1]=4 1518 B17R1.40529 CC(C)(C)CCNC(=O)NCc1ccccc1 2708a_100000738805_100015324214 [0,1,0,0,0,0|2,0,1]=4 1519 B17R1.40529 CC(C)(C)CCNC(=O)NCc1ccccc1 2708a_100015324214_100000738805 [0,1,0,0,0,0|2,0,1]=4 1520 B17R1.40529 CC(C)(C)CCNC(=O)NCc1ccccc1 273464a_100000738805_100015324214 [0,1,0,0,0,0|2,0,1]=4 1521 B17R1.40529 CC(C)(C)CCNC(=O)NCc1ccccc1 273464a_100015324214_100000738805 [0,1,0,0,0,0|2,0,1]=4 1522 B17R1.40529 CC(C)(C)CCNC(=O)NCc1ccccc1 512a_100000738805_100015324214 [0,1,0,0,0,0|2,0,1]=4 1523 B17R1.40529 CC(C)(C)CCNC(=O)NCc1ccccc1 512a_100015324214_100000738805 [0,1,0,0,0,0|2,0,1]=4 1524 B17R1.40529 CC(C)(C)CCNC(=O)NNc1ccccc1 273464a_100000738805_100015195140 [0,1,0,0,0,0|3,0,0]=4 1525 B17R1.40529 CC(C)(C)CCNC(=O)NNc1ccccc1 512a_100000738805_100015195140 [0,1,0,0,0,0|3,0,0]=4 1526 B17R1.40529 CC(C)(F)CCNC(=O)C#Cc1ccccc1 240690a_100016253952_100000736102 [0,1,0,0,0,0|1,0,2]=4 1527 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccc1 11a_100016253952_100000210462 [0,1,0,0,0,0|1,0,0]=2 1528 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccc1 1626a_100016253952_100000210462 [0,1,0,0,0,0|1,0,0]=2 1529 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccn1 11a_100016253952_100000740811 [0,1,0,0,0,0|2,0,0]=3 1530 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccn1 240690a_100016253952_100000740811 [0,1,0,0,0,0|2,0,0]=3 1531 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1cccnc1 11a_100016253952_100000735890 [0,1,0,0,0,0|2,0,0]=3 1532 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1cccnc1 240690a_100016253952_100000735890 [0,1,0,0,0,0|2,0,0]=3 1533 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccncc1 240690a_100016253952_100000682801 [0,1,0,0,0,0|2,0,0]=3 1534 B17R1.40529 CC(C)(F)CCNC(=O)CCc1ccccc1 11a_100016253952_100000185753 [0,1,0,0,0,0|1,0,2]=4 1535 B17R1.40529 CC(C)(F)CCNC(=O)CCc1ccccc1 1626a_100016253952_100000185753 [0,1,0,0,0,0|1,0,2]=4 1536 B17R1.40529 CC(C)(F)CCNC(=O)CCc1ccccc1 240690a_100016253952_100000185753 [0,1,0,0,0,0|1,0,2]=4 1537 B17R1.40529 CC(C)(F)CCNC(=O)CCc1ccccc1 527a_100016253952_100000185753 [0,1,0,0,0,0|1,0,2]=4 1538 B17R1.40529 CC(C)(F)CCNC(=O)COc1ccccc1 11a_100016253952_100000186222 [0,1,0,0,0,0|2,0,1]=4 1539 B17R1.40529 CC(C)(F)CCNC(=O)COc1ccccc1 1626a_100016253952_100000186222 [0,1,0,0,0,0|2,0,1]=4 1540 B17R1.40529 CC(C)(F)CCNC(=O)COc1ccccc1 240690a_100016253952_100000186222 [0,1,0,0,0,0|2,0,1]=4 1541 B17R1.40529 CC(C)(F)CCNC(=O)COc1ccccc1 527a_100016253952_100000186222 [0,1,0,0,0,0|2,0,1]=4 1542 B17R1.40529 CC(C)(F)CCNC(=O)CSc1ccccc1 11a_100016253952_100000211596 [0,1,0,0,0,0|2,0,1]=4 1543 B17R1.40529 CC(C)(F)CCNC(=O)CSc1ccccc1 1626a_100016253952_100000211596 [0,1,0,0,0,0|2,0,1]=4 1544 B17R1.40529 CC(C)(F)CCNC(=O)CSc1ccccc1 240690a_100016253952_100000211596 [0,1,0,0,0,0|2,0,1]=4 1545 B17R1.40529 CC(C)(F)CCNC(=O)CSc1ccccc1 527a_100016253952_100000211596 [0,1,0,0,0,0|2,0,1]=4 1546 B17R1.40529 CC(C)(F)CCNC(=O)NCc1ccccc1 2708a_100015324214_100016253952 [0,1,0,0,0,0|2,0,1]=4 1547 B17R1.40529 CC(C)(F)CCNC(=O)NCc1ccccc1 2708a_100016253952_100015324214 [0,1,0,0,0,0|2,0,1]=4 1548 B17R1.40529 CC(C)(F)CCNC(=O)NCc1ccccc1 273464a_100015324214_100016253952 [0,1,0,0,0,0|2,0,1]=4 1549 B17R1.40529 CC(C)(F)CCNC(=O)NCc1ccccc1 273464a_100016253952_100015324214 [0,1,0,0,0,0|2,0,1]=4 1550 B17R1.40529 CC(C)(F)CCNC(=O)NCc1ccccc1 512a_100015324214_100016253952 [0,1,0,0,0,0|2,0,1]=4 1551 B17R1.40529 CC(C)(F)CCNC(=O)NCc1ccccc1 512a_100016253952_100015324214 [0,1,0,0,0,0|2,0,1]=4 1552 B17R1.40529 CC(C)(F)CCNC(=O)NNc1ccccc1 273464a_100016253952_100015195140 [0,1,0,0,0,0|3,0,0]=4 1553 B17R1.40529 CC(C)(F)CCNC(=O)NNc1ccccc1 512a_100016253952_100015195140 [0,1,0,0,0,0|3,0,0]=4 1554 B17R1.40529 CC(C)(O)CCNC(=O)C=Cc1ccccc1 1626a_100000707701_100000210462 [0,1,0,0,0,0|1,0,0]=2 1555 B17R1.40529 CC(C)(O)CCNC(=O)CCc1ccccc1 1626a_100000707701_100000185753 [0,1,0,0,0,0|1,0,2]=4 1556 B17R1.40529 CC(C)(O)CCNC(=O)CCc1ccccc1 527a_100000707701_100000185753 [0,1,0,0,0,0|1,0,2]=4 1557 B17R1.40529 CC(C)(O)CCNC(=O)COc1ccccc1 1626a_100000707701_100000186222 [0,1,0,0,0,0|2,0,1]=4 1558 B17R1.40529 CC(C)(O)CCNC(=O)COc1ccccc1 527a_100000707701_100000186222 [0,1,0,0,0,0|2,0,1]=4 1559 B17R1.40529 CC(C)(O)CCNC(=O)CSc1ccccc1 1626a_100000707701_100000211596 [0,1,0,0,0,0|2,0,1]=4 1560 B17R1.40529 CC(C)(O)CCNC(=O)CSc1ccccc1 527a_100000707701_100000211596 [0,1,0,0,0,0|2,0,1]=4 1561 B17R1.40529 CC(C)(O)CCNC(=O)NCc1ccccc1 2708a_100000707701_100015324214 [0,1,0,0,0,0|2,0,1]=4 1562 B17R1.40529 CC(C)(O)CCNC(=O)NCc1ccccc1 2708a_100015324214_100000707701 [0,1,0,0,0,0|2,0,1]=4 1563 B17R1.40529 CC(C)(O)CCNC(=O)NCc1ccccc1 273464a_100000707701_100015324214 [0,1,0,0,0,0|2,0,1]=4 1564 B17R1.40529 CC(C)(O)CCNC(=O)NCc1ccccc1 273464a_100015324214_100000707701 [0,1,0,0,0,0|2,0,1]=4 1565 B17R1.40529 CC(C)(O)CCNC(=O)NCc1ccccc1 512a_100000707701_100015324214 [0,1,0,0,0,0|2,0,1]=4 1566 B17R1.40529 CC(C)(O)CCNC(=O)NCc1ccccc1 512a_100015324214_100000707701 [0,1,0,0,0,0|2,0,1]=4 1567 B17R1.40529 CC(C)(O)CCNC(=O)NNc1ccccc1 273464a_100000707701_100015195140 [0,1,0,0,0,0|3,0,0]=4 1568 B17R1.40529 CC(C)(O)CCNC(=O)NNc1ccccc1 512a_100000707701_100015195140 [0,1,0,0,0,0|3,0,0]=4 1569 B17R1.40529 CS(=O)(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754308 [0,1,0,0,0,0|3,0,0]=4 1570 B17R1.40529 CS(=O)(=O)CCNC(=O)C=Cc1ccccc1 11a_100000740961_100000210462 [0,1,0,0,0,0|3,0,0]=4 1571 B17R1.40529 CS(=O)(=O)CCNC(=O)C=Cc1ccccc1 1626a_100000740961_100000210462 [0,1,0,0,0,0|3,0,0]=4 1572 B17R1.40529 C[N+](C)(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100016990835 [0,1,0,0,0,0|2,0,0]=3 1573 B17R1.40529 C[N+](C)(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100016990835 [0,1,0,0,0,0|3,0,0]=4 1574 B17R1.40529 C[N+](C)(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100016990835 [0,1,0,0,0,0|3,0,0]=4 1575 B17R1.40529 C[N+](C)(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100016990835 [0,1,0,0,0,0|3,0,0]=4 1576 B17R1.40529 C[N+](C)(C)CCNC(=O)C=Cc1ccccc1 1626a_100000106457_100000210462 [0,1,0,0,0,0|2,0,0]=3 1577 B17R1.40529 C[N+](C)(C)CCNC(=O)C=Cc1ccccn1 240690a_100000106457_100000740811 [0,1,0,0,0,0|3,0,0]=4 1578 B17R1.40529 C[N+](C)(C)CCNC(=O)C=Cc1cccnc1 240690a_100000106457_100000735890 [0,1,0,0,0,0|3,0,0]=4 1579 B17R1.40529 C[N+](C)(C)CCNC(=O)C=Cc1ccncc1 240690a_100000106457_100000682801 [0,1,0,0,0,0|3,0,0]=4 1580 B17R1.40529 C[Si](C)(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011219597 [0,1,0,0,0,0|1,1,0]=3 1581 B17R1.40529 C[Si](C)(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011219597 [0,1,0,0,0,0|2,1,0]=4 1582 B17R1.40529 C[Si](C)(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011219597 [0,1,0,0,0,0|2,1,0]=4 1583 B17R1.40529 C[Si](C)(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011219597 [0,1,0,0,0,0|2,1,0]=4 1584 B17R1.40529 C[Si](C)(C)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000032530 [0,1,0,0,0,0|2,1,0]=4 1585 B17R1.40529 O=C(C=Cc1ccccc1)CCCC(F)(F)F 1458a_100000210462_100011216173 [0,1,0,0,0,0|3,0,0]=4 1586 B17R1.40529 O=C(C=Cc1ccccc1)NCCC(F)(F)F 11a_100000740434_100000210462 [0,1,0,0,0,0|3,0,0]=4 1587 B17R1.40529 O=C(C=Cc1ccccc1)NCCC(F)(F)F 1626a_100000740434_100000210462 [0,1,0,0,0,0|3,0,0]=4 1588 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C#Cc2ccccc2 240690a_100016987628_100000736102 [0,0,0,1,0,0|1,0,2]=4 1589 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2 11a_100016987628_100000210462 [0,0,0,1,0,0|1,0,0]=2 1590 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccn2 11a_100016987628_100000740811 [0,0,0,1,0,0|2,0,0]=3 1591 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccn2 240690a_100016987628_100000740811 [0,0,0,1,0,0|2,0,0]=3 1592 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2cccnc2 11a_100016987628_100000735890 [0,0,0,1,0,0|2,0,0]=3 1593 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2cccnc2 240690a_100016987628_100000735890 [0,0,0,1,0,0|2,0,0]=3 1594 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccncc2 240690a_100016987628_100000682801 [0,0,0,1,0,0|2,0,0]=3 1595 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CCc2ccccc2 11a_100016987628_100000185753 [0,0,0,1,0,0|1,0,2]=4 1596 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CCc2ccccc2 240690a_100016987628_100000185753 [0,0,0,1,0,0|1,0,2]=4 1597 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CCc2ccccc2 527a_100016987628_100000185753 [0,0,0,1,0,0|1,0,2]=4 1598 B17R2.3231 C[C@@H]1CCN(C1)C(=O)COc2ccccc2 11a_100016987628_100000186222 [0,0,0,1,0,0|2,0,1]=4 1599 B17R2.3231 C[C@@H]1CCN(C1)C(=O)COc2ccccc2 240690a_100016987628_100000186222 [0,0,0,1,0,0|2,0,1]=4 1600 B17R2.3231 C[C@@H]1CCN(C1)C(=O)COc2ccccc2 527a_100016987628_100000186222 [0,0,0,1,0,0|2,0,1]=4 1601 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CSc2ccccc2 11a_100016987628_100000211596 [0,0,0,1,0,0|2,0,1]=4 1602 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CSc2ccccc2 240690a_100016987628_100000211596 [0,0,0,1,0,0|2,0,1]=4 1603 B17R2.3231 C[C@@H]1CCN(C1)C(=O)CSc2ccccc2 527a_100016987628_100000211596 [0,0,0,1,0,0|2,0,1]=4 1604 B17R2.3231 C[C@@H]1CCN(C1)C(=O)NCc2ccccc2 2708a_100015324214_100016987628 [0,0,0,1,0,0|2,0,1]=4 1605 B17R2.3231 C[C@@H]1CCN(C1)C(=O)NCc2ccccc2 273464a_100015324214_100016987628 [0,0,0,1,0,0|2,0,1]=4 1606 B17R2.3231 O=C(C=Cc1ccccc1)N2CC[C@@H](C2)F 11a_100015203821_100000210462 [0,0,0,1,0,0|2,0,0]=3 1607 B17R2.3231 O=C(C=Cc1ccccc1)N2CC[C@@H](C2)F 1626a_100015203821_100000210462 [0,0,0,1,0,0|2,0,0]=3 1608 B17R2.3231 O=C(C=Cc1ccccn1)N2CCC(C2)O 240690a_100011215560_100000740811 [0,0,0,1,0,0|3,0,0]=4 1609 B17R2.3231 O=C(C=Cc1ccccn1)N2CC[C@@H](C2)F 11a_100015203821_100000740811 [0,0,0,1,0,0|3,0,0]=4 1610 B17R2.3231 O=C(C=Cc1ccccn1)N2CC[C@@H](C2)F 240690a_100015203821_100000740811 [0,0,0,1,0,0|3,0,0]=4 1611 B17R2.3231 O=C(C=Cc1cccnc1)N2CCC(C2)O 240690a_100011215560_100000735890 [0,0,0,1,0,0|3,0,0]=4 1612 B17R2.3231 O=C(C=Cc1cccnc1)N2CC[C@@H](C2)F 11a_100015203821_100000735890 [0,0,0,1,0,0|3,0,0]=4 1613 B17R2.3231 O=C(C=Cc1cccnc1)N2CC[C@@H](C2)F 240690a_100015203821_100000735890 [0,0,0,1,0,0|3,0,0]=4 1614 B17R2.3231 O=C(C=Cc1ccncc1)N2CCC(C2)O 240690a_100011215560_100000682801 [0,0,0,1,0,0|3,0,0]=4 1615 B17R2.3231 O=C(C=Cc1ccncc1)N2CC[C@@H](C2)F 240690a_100015203821_100000682801 [0,0,0,1,0,0|3,0,0]=4 1616 B17R2.5233 C=C1CC(C1)NC(=O)C=Cc2ccccc2 11a_100132301982_100000210462 [0,0,0,1,0,0|1,0,2]=4 1617 B17R2.5233 C=C1CC(C1)NC(=O)C=Cc2ccccc2 1626a_100132301982_100000210462 [0,0,0,1,0,0|1,0,2]=4 1618 B17R2.5233 CN1CC(C1)NC(=O)C=Cc2ccccn2 240690a_100015196640_100000740811 [0,0,0,1,0,0|3,0,0]=4 1619 B17R2.5233 CN1CC(C1)NC(=O)C=Cc2cccnc2 240690a_100015196640_100000735890 [0,0,0,1,0,0|3,0,0]=4 1620 B17R2.5233 CN1CC(C1)NC(=O)C=Cc2ccncc2 240690a_100015196640_100000682801 [0,0,0,1,0,0|3,0,0]=4 1621 B17R2.5233 O=C(C=Cc1ccccc1)CC2CC(=O)C2 1458a_100000210462_100009874392 [0,0,0,1,0,0|2,0,1]=4 1622 B17R2.5233 O=C(C=Cc1ccccc1)NC2CC(C2)F 11a_100016993743_100000210462 [0,0,0,1,0,0|2,0,0]=3 1623 B17R2.5233 O=C(C=Cc1ccccc1)NC2CC(C2)F 1626a_100016993743_100000210462 [0,0,0,1,0,0|2,0,0]=3 1624 B17R2.5233 O=C(C=Cc1ccccc1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000210462 [0,0,0,1,0,0|2,0,0]=3 1625 B17R2.5233 O=C(C=Cc1ccccc1)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000210462 [0,0,0,1,0,0|2,0,0]=3 1626 B17R2.5233 O=C(C=Cc1ccccn1)NC2CC(C2)F 11a_100016993743_100000740811 [0,0,0,1,0,0|3,0,0]=4 1627 B17R2.5233 O=C(C=Cc1ccccn1)NC2CC(C2)F 240690a_100016993743_100000740811 [0,0,0,1,0,0|3,0,0]=4 1628 B17R2.5233 O=C(C=Cc1ccccn1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000740811 [0,0,0,1,0,0|3,0,0]=4 1629 B17R2.5233 O=C(C=Cc1ccccn1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000740811 [0,0,0,1,0,0|3,0,0]=4 1630 B17R2.5233 O=C(C=Cc1cccnc1)NC2CC(C2)F 11a_100016993743_100000735890 [0,0,0,1,0,0|3,0,0]=4 1631 B17R2.5233 O=C(C=Cc1cccnc1)NC2CC(C2)F 240690a_100016993743_100000735890 [0,0,0,1,0,0|3,0,0]=4 1632 B17R2.5233 O=C(C=Cc1cccnc1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000735890 [0,0,0,1,0,0|3,0,0]=4 1633 B17R2.5233 O=C(C=Cc1cccnc1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000735890 [0,0,0,1,0,0|3,0,0]=4 1634 B17R2.5233 O=C(C=Cc1ccncc1)NC2CC(C2)F 240690a_100016993743_100000682801 [0,0,0,1,0,0|3,0,0]=4 1635 B17R2.5233 O=C(C=Cc1ccncc1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000682801 [0,0,0,1,0,0|3,0,0]=4 1636 B17R2.5385 CC(C)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210624 [0,0,0,1,0,0|3,0,0]=4 1637 B17R2.5385 CC(C)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210624 [0,0,0,1,0,0|3,0,0]=4 1638 B17R2.5385 CC(C)CNc1c(ccc2c1cccc2)O 34a_100000007056_100000210624 [0,0,0,1,0,0|2,0,1]=4 1639 B17R2.5385 CC(C)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000210624 [0,0,0,1,0,0|3,0,0]=4 1640 B17R2.5385 CC(C)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000210760 [0,0,0,1,0,0|3,0,0]=4 1641 B17R2.5385 CC(C)COc1c(ccc2c1cccc2)N 34a_100000007060_100000210624 [0,0,0,1,0,0|3,0,0]=4 1642 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)Br 62a_100000210624_100010090040 [0,0,0,1,0,0|3,0,0]=4 1643 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210760 [0,0,0,1,0,0|3,0,0]=4 1644 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)N 62a_100000210624_100000705303 [0,0,0,1,0,0|3,0,0]=4 1645 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000210760 [0,0,0,1,0,0|3,0,0]=4 1646 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)O 62a_100000210624_100000183829 [0,0,0,1,0,0|2,0,1]=4 1647 B17R2.5385 CC(C)NCc1c(ccc2c1cccc2)Br 207a_100138425928_100010090029 [0,0,0,1,0,0|3,0,0]=4 1648 B17R2.5385 Cc1ccc2ccccc2c1CNC(C)C 207a_100138425928_100011361466 [0,0,0,1,0,0|3,0,0]=4 1649 B17R2.5385 Cc1ccc2ccccc2c1CNC(C)C 2230a_100138425928_100000689653 [0,0,0,1,0,0|3,0,0]=4 1650 B17R2.5385 Cc1ccc2ccccc2c1CNC(C)C 34a_100138425928_100000689653 [0,0,0,1,0,0|3,0,0]=4 1651 B17R2.5385 Cc1ccc2ccccc2c1COC(C)C 34a_100000212225_100000689653 [0,0,0,1,0,0|3,0,0]=4 1652 B17R2.5385 Cc1ccc2ccccc2c1CSC(C)C 62a_100000210206_100000689653 [0,0,0,1,0,0|3,0,0]=4 1653 B17R2.5385 Cc1ccc2ccccc2c1CSC(C)C 62a_100000689653_100000210206 [0,0,0,1,0,0|3,0,0]=4 1654 B17R2.5385 Cc1ccc2ccccc2c1NCC(C)C 34a_100000688109_100000210624 [0,0,0,1,0,0|3,0,0]=4 1655 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)C 34a_100000039261_100000210624 [0,0,0,1,0,0|3,0,0]=4 1656 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)C 7a_100000039261_100000210760 [0,0,0,1,0,0|3,0,0]=4 1657 B17R2.5385 Cc1ccc2ccccc2c1SCC(C)C 62a_100000210624_100000759710 [0,0,0,1,0,0|3,0,0]=4 1658 B17R2.5385 Cc1ccc2ccccc2c1SCC(C)C 62a_100000759710_100000210760 [0,0,0,1,0,0|3,0,0]=4 1659 B17R2.5669 C=C(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000730704 [0,0,0,1,0,0|1,0,2]=4 1660 B17R2.5669 C=C(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000730704 [0,0,0,1,0,0|1,0,2]=4 1661 B17R2.5669 CC(=CCOc1ccc2ccccc2c1)C 34a_100000185828_100000761012 [0,0,0,1,0,0|1,0,2]=4 1662 B17R2.5669 CC(=CCOc1ccc2ccccc2c1)C 7a_100000185828_100000761012 [0,0,0,1,0,0|1,0,2]=4 1663 B17R2.5669 CC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000053229 [0,0,0,1,0,0|2,0,1]=4 1664 B17R2.5669 CC(C)CC=Cc1ccc2ccccc2c1 271570a_100016259101_100000233703 [0,0,0,1,0,0|2,0,1]=4 1665 B17R2.5669 CC(C)CC=Cc1ccc2ccccc2n1 271570a_100016259101_100011291633 [0,0,0,1,0,0|2,0,1]=4 1666 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000210312 [0,0,0,1,0,0|2,0,0]=3 1667 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000210626 [0,0,0,1,0,0|2,0,0]=3 1668 B17R2.5669 CC(C)CCNc1ccc2ccccc2n1 27a_100000210545_100011291633 [0,0,0,1,0,0|2,0,0]=3 1669 B17R2.5669 CC(C)CCNc1ccc2cccnc2c1 34a_100102887122_100000210312 [0,0,0,1,0,0|3,0,0]=4 1670 B17R2.5669 CC(C)CCNc1ccc2cccnc2n1 27a_100000210545_100000075685 [0,0,0,1,0,0|3,0,0]=4 1671 B17R2.5669 CC(C)CCNc1ccc2ccncc2n1 27a_100000210545_100000020162 [0,0,0,1,0,0|3,0,0]=4 1672 B17R2.5669 CC(C)CCNc1ccc2cnccc2c1 34a_100000039641_100000210312 [0,0,0,1,0,0|3,0,0]=4 1673 B17R2.5669 CC(C)CCNc1ccc2ncccc2c1 34a_100011198106_100000210312 [0,0,0,1,0,0|3,0,0]=4 1674 B17R2.5669 CC(C)CCNc1ccc2ncccc2n1 27a_100000210545_100000073381 [0,0,0,1,0,0|3,0,0]=4 1675 B17R2.5669 CC(C)CCNc1cnc2ccccc2n1 27a_100000210545_100000756483 [0,0,0,1,0,0|3,0,0]=4 1676 B17R2.5669 CC(C)CCNc1ncc2ccccc2n1 27a_100000210545_100000097389 [0,0,0,1,0,0|3,0,0]=4 1677 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000210312 [0,0,0,1,0,0|1,0,0]=2 1678 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000210626 [0,0,0,1,0,0|1,0,0]=2 1679 B17R2.5669 CC(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000210312 [0,0,0,1,0,0|2,0,0]=3 1680 B17R2.5669 CC(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000210626 [0,0,0,1,0,0|2,0,0]=3 1681 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000210312 [0,0,0,1,0,0|2,0,0]=3 1682 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000210626 [0,0,0,1,0,0|2,0,0]=3 1683 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000210312 [0,0,0,1,0,0|2,0,0]=3 1684 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000210626 [0,0,0,1,0,0|2,0,0]=3 1685 B17R2.5669 CC(C)CCOc1ccc2nccnc2c1 34a_100000694412_100000210312 [0,0,0,1,0,0|3,0,0]=4 1686 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000210312 [0,0,0,1,0,0|2,0,0]=3 1687 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000210626 [0,0,0,1,0,0|2,0,0]=3 1688 B17R2.5669 CC(C)CCSc1cc2ccccc2cn1 62a_100000210312_100000047361 [0,0,0,1,0,0|2,1,0]=4 1689 B17R2.5669 CC(C)CCSc1cc2ccccc2cn1 62a_100009816522_100000210312 [0,0,0,1,0,0|2,1,0]=4 1690 B17R2.5669 CC(C)CCSc1ccc2ccccc2c1 62a_100000210312_100000233703 [0,0,0,1,0,0|1,1,0]=3 1691 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100000210312_100011291633 [0,0,0,1,0,0|1,1,0]=3 1692 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000210312 [0,0,0,1,0,0|1,1,0]=3 1693 B17R2.5669 CC(C)CCSc1ccc2cccnc2c1 62a_100000210312_100009816655 [0,0,0,1,0,0|2,1,0]=4 1694 B17R2.5669 CC(C)CCSc1ccc2cccnc2n1 62a_100000075685_100000210312 [0,0,0,1,0,0|2,1,0]=4 1695 B17R2.5669 CC(C)CCSc1ccc2cccnc2n1 62a_100000210312_100000075685 [0,0,0,1,0,0|2,1,0]=4 1696 B17R2.5669 CC(C)CCSc1ccc2ccncc2c1 62a_100000210312_100000686496 [0,0,0,1,0,0|2,1,0]=4 1697 B17R2.5669 CC(C)CCSc1ccc2ccncc2c1 62a_100000686496_100000210312 [0,0,0,1,0,0|2,1,0]=4 1698 B17R2.5669 CC(C)CCSc1ccc2ccncc2n1 62a_100000210312_100000020162 [0,0,0,1,0,0|2,1,0]=4 1699 B17R2.5669 CC(C)CCSc1ccc2cnccc2c1 62a_100000210312_100009816743 [0,0,0,1,0,0|2,1,0]=4 1700 B17R2.5669 CC(C)CCSc1ccc2cnccc2c1 62a_100009816743_100000210312 [0,0,0,1,0,0|2,1,0]=4 1701 B17R2.5669 CC(C)CCSc1ccc2ncccc2c1 62a_100000210312_100011215947 [0,0,0,1,0,0|2,1,0]=4 1702 B17R2.5669 CC(C)CCSc1ccc2ncccc2c1 62a_100011215947_100000210312 [0,0,0,1,0,0|2,1,0]=4 1703 B17R2.5669 CC(C)CCSc1ccc2ncccc2n1 62a_100000210312_100000073381 [0,0,0,1,0,0|2,1,0]=4 1704 B17R2.5669 CC(C)CCSc1cnc2ccccc2c1 62a_100000210312_100000737414 [0,0,0,1,0,0|2,1,0]=4 1705 B17R2.5669 CC(C)CCSc1cnc2ccccc2n1 62a_100000210312_100000756483 [0,0,0,1,0,0|2,1,0]=4 1706 B17R2.5669 CC(C)CCSc1cnc2ccccc2n1 62a_100000756483_100000210312 [0,0,0,1,0,0|2,1,0]=4 1707 B17R2.5669 CC(C)CCSc1ncc2ccccc2n1 62a_100000210312_100000097389 [0,0,0,1,0,0|2,1,0]=4 1708 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 207a_100000210953_100000211584 [0,0,0,1,0,0|3,0,0]=4 1709 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000210953_100011216711 [0,0,0,1,0,0|3,0,0]=4 1710 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000210760 [0,0,0,1,0,0|3,0,0]=4 1711 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000210953_100000211584 [0,0,0,1,0,0|3,0,0]=4 1712 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000739491_100000210432 [0,0,0,1,0,0|3,0,0]=4 1713 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000210953_100011216711 [0,0,0,1,0,0|3,0,0]=4 1714 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000739491_100000210624 [0,0,0,1,0,0|3,0,0]=4 1715 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 207a_100000210953_100000759686 [0,0,0,1,0,0|3,0,0]=4 1716 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 2230a_100000210953_100000737579 [0,0,0,1,0,0|3,0,0]=4 1717 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 270004a_100000210953_100000759686 [0,0,0,1,0,0|3,0,0]=4 1718 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 34a_100000210953_100000737579 [0,0,0,1,0,0|3,0,0]=4 1719 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100000210257_100011216711 [0,0,0,1,0,0|3,0,0]=4 1720 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100011215330_100000210624 [0,0,0,1,0,0|3,0,0]=4 1721 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 7a_100011215330_100000210760 [0,0,0,1,0,0|3,0,0]=4 1722 B17R2.5669 CC(C)COCc1ccc2ccccc2n1 34a_100000210257_100000737579 [0,0,0,1,0,0|3,0,0]=4 1723 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100000210624_100011216711 [0,0,0,1,0,0|3,0,0]=4 1724 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100011216711_100000210760 [0,0,0,1,0,0|3,0,0]=4 1725 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000210624_100000737579 [0,0,0,1,0,0|3,0,0]=4 1726 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000737579_100000210760 [0,0,0,1,0,0|3,0,0]=4 1727 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 2230a_100000746582_100000210206 [0,0,0,1,0,0|3,0,0]=4 1728 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 34a_100000746582_100000210206 [0,0,0,1,0,0|3,0,0]=4 1729 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 34a_100000755654_100000210206 [0,0,0,1,0,0|3,0,0]=4 1730 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 7a_100000755654_100000210206 [0,0,0,1,0,0|3,0,0]=4 1731 B17R2.5669 CC(C)OCCc1ccc2ccccc2n1 34a_100011996444_100000210206 [0,0,0,1,0,0|3,0,0]=4 1732 B17R2.5669 CC(C)OCNc1ccc2ccccc2c1 34a_100000211940_100000709892 [0,0,0,1,0,0|3,0,0]=4 1733 B17R2.5669 CC(C)OCOc1ccc2ccccc2c1 34a_100000185828_100000709892 [0,0,0,1,0,0|2,0,0]=3 1734 B17R2.5669 CC(C)OCOc1ccc2cccnc2c1 34a_100011216045_100000709892 [0,0,0,1,0,0|3,0,0]=4 1735 B17R2.5669 CC(C)OCOc1ccc2cnccc2c1 34a_100000046372_100000709892 [0,0,0,1,0,0|3,0,0]=4 1736 B17R2.5669 CC(C)OCOc1ccc2ncccc2c1 34a_100011215586_100000709892 [0,0,0,1,0,0|3,0,0]=4 1737 B17R2.5669 CC(C)OCOc1cnc2ccccc2c1 34a_100011934006_100000709892 [0,0,0,1,0,0|3,0,0]=4 1738 B17R2.5669 CC(C)OCSc1ccc2ccccc2c1 62a_100000709892_100000233703 [0,0,0,1,0,0|2,1,0]=4 1739 B17R2.5669 CC(C)OCSc1ccc2ccccc2n1 62a_100000709892_100011291633 [0,0,0,1,0,0|2,1,0]=4 1740 B17R2.5669 CC(C)OCSc1ccc2ccccc2n1 62a_100011291633_100000709892 [0,0,0,1,0,0|2,1,0]=4 1741 B17R2.5669 CC(O)CCNc1ccc2ccccc2c1 34a_100000211940_100012276601 [0,0,0,1,0,0|3,0,0]=4 1742 B17R2.5669 CC(O)CCNc1ccc2ccccc2c1 7a_100000211940_100012276601 [0,0,0,1,0,0|3,0,0]=4 1743 B17R2.5669 CC(O)CCNc1ccc2ccccc2n1 27a_200000755665_100011291633 [0,0,0,1,0,0|3,0,0]=4 1744 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 34a_100000185828_100012276601 [0,0,0,1,0,0|2,0,0]=3 1745 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 7a_100000185828_100012276601 [0,0,0,1,0,0|2,0,0]=3 1746 B17R2.5669 CC(O)CCOc1ccc2cccnc2c1 34a_100011216045_100012276601 [0,0,0,1,0,0|3,0,0]=4 1747 B17R2.5669 CC(O)CCOc1ccc2ccncc2c1 7a_100000752006_100012276601 [0,0,0,1,0,0|3,0,0]=4 1748 B17R2.5669 CC(O)CCOc1ccc2cnccc2c1 34a_100000046372_100012276601 [0,0,0,1,0,0|3,0,0]=4 1749 B17R2.5669 CC(O)CCOc1ccc2cnccc2c1 7a_100000046372_100012276601 [0,0,0,1,0,0|3,0,0]=4 1750 B17R2.5669 CC(O)CCOc1ccc2ncccc2c1 34a_100011215586_100012276601 [0,0,0,1,0,0|3,0,0]=4 1751 B17R2.5669 CC(O)CCOc1ccc2ncccc2c1 7a_100011215586_100012276601 [0,0,0,1,0,0|3,0,0]=4 1752 B17R2.5669 CC(O)CCOc1cnc2ccccc2c1 34a_100011934006_100012276601 [0,0,0,1,0,0|3,0,0]=4 1753 B17R2.5669 CC(O)CCOc1cnc2ccccc2c1 7a_100011934006_100012276601 [0,0,0,1,0,0|3,0,0]=4 1754 B17R2.5669 CC(O)CCSc1ccc2ccccc2c1 62a_100012276601_100000233703 [0,0,0,1,0,0|2,1,0]=4 1755 B17R2.5669 CC(O)CCSc1ccc2ccccc2n1 62a_100011291633_100012276601 [0,0,0,1,0,0|2,1,0]=4 1756 B17R2.5669 CC(O)CCSc1ccc2ccccc2n1 62a_100012276601_100011291633 [0,0,0,1,0,0|2,1,0]=4 1757 B17R2.5669 CN(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000755713 [0,0,0,1,0,0|3,0,0]=4 1758 B17R2.5669 CN(C)CCNc1ccc2ccccc2n1 27a_100000210585_100011291633 [0,0,0,1,0,0|3,0,0]=4 1759 B17R2.5669 CN(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000755713 [0,0,0,1,0,0|2,0,0]=3 1760 B17R2.5669 CN(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000755713 [0,0,0,1,0,0|3,0,0]=4 1761 B17R2.5669 CN(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000755713 [0,0,0,1,0,0|3,0,0]=4 1762 B17R2.5669 CN(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000755713 [0,0,0,1,0,0|3,0,0]=4 1763 B17R2.5669 CN(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000755713 [0,0,0,1,0,0|3,0,0]=4 1764 B17R2.5669 CN(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000755713 [0,0,0,1,0,0|2,1,0]=4 1765 B17R2.45566 CC(=NNCC1CC1)C=Cc2ccccc2 4a_100000736359_100000204604 [0,0,0,1,0,0|3,0,0]=4 1766 B17R2.45566 O=C(C#Cc1ccccc1)NCCC2CC2 240690a_100000764129_100000736102 [0,0,0,1,0,0|1,0,2]=4 1767 B17R2.45566 O=C(C=Cc1ccccc1)CC#CC2CC2 1458a_100000210462_100009895102 [0,0,0,1,0,0|1,0,2]=4 1768 B17R2.45566 O=C(C=Cc1ccccc1)CCCC2CO2 1458a_100000210462_100000733510 [0,0,0,1,0,0|2,0,0]=3 1769 B17R2.45566 O=C(C=Cc1ccccc1)NCCC2CC2 1626a_100000764129_100000210462 [0,0,0,1,0,0|1,0,0]=2 1770 B17R2.45566 O=C(C=Cc1ccccc1)NNCC2CC2 22a_100000736359_100000210462 [0,0,0,1,0,0|2,0,0]=3 1771 B17R2.45566 O=C(C=Cc1ccccn1)CCCC2CO2 1458a_100000740811_100000733510 [0,0,0,1,0,0|3,0,0]=4 1772 B17R2.45566 O=C(C=Cc1ccccn1)NCCC2CC2 240690a_100000764129_100000740811 [0,0,0,1,0,0|2,0,0]=3 1773 B17R2.45566 O=C(C=Cc1ccccn1)NNCC2CC2 22a_100000736359_100000740811 [0,0,0,1,0,0|3,0,0]=4 1774 B17R2.45566 O=C(C=Cc1cccnc1)CCCC2CO2 1458a_100000735890_100000733510 [0,0,0,1,0,0|3,0,0]=4 1775 B17R2.45566 O=C(C=Cc1cccnc1)NCCC2CC2 240690a_100000764129_100000735890 [0,0,0,1,0,0|2,0,0]=3 1776 B17R2.45566 O=C(C=Cc1cccnc1)NNCC2CC2 22a_100000736359_100000735890 [0,0,0,1,0,0|3,0,0]=4 1777 B17R2.45566 O=C(C=Cc1ccncc1)CCCC2CO2 1458a_100000682801_100000733510 [0,0,0,1,0,0|3,0,0]=4 1778 B17R2.45566 O=C(C=Cc1ccncc1)NCCC2CC2 240690a_100000764129_100000682801 [0,0,0,1,0,0|2,0,0]=3 1779 B17R2.45566 O=C(C=Cc1ccncc1)NNCC2CC2 22a_100000736359_100000682801 [0,0,0,1,0,0|3,0,0]=4 1780 B17R2.45566 O=C(CCc1ccccc1)NCCC2CC2 1626a_100000764129_100000185753 [0,0,0,1,0,0|1,0,2]=4 1781 B17R2.45566 O=C(CCc1ccccc1)NCCC2CC2 240690a_100000764129_100000185753 [0,0,0,1,0,0|1,0,2]=4 1782 B17R2.45566 O=C(CCc1ccccc1)NCCC2CC2 527a_100000764129_100000185753 [0,0,0,1,0,0|1,0,2]=4 1783 B17R2.45566 O=C(COc1ccccc1)NCCC2CC2 1626a_100000764129_100000186222 [0,0,0,1,0,0|2,0,1]=4 1784 B17R2.45566 O=C(COc1ccccc1)NCCC2CC2 240690a_100000764129_100000186222 [0,0,0,1,0,0|2,0,1]=4 1785 B17R2.45566 O=C(COc1ccccc1)NCCC2CC2 527a_100000764129_100000186222 [0,0,0,1,0,0|2,0,1]=4 1786 B17R2.45566 O=C(CSc1ccccc1)NCCC2CC2 1626a_100000764129_100000211596 [0,0,0,1,0,0|2,0,1]=4 1787 B17R2.45566 O=C(CSc1ccccc1)NCCC2CC2 240690a_100000764129_100000211596 [0,0,0,1,0,0|2,0,1]=4 1788 B17R2.45566 O=C(CSc1ccccc1)NCCC2CC2 527a_100000764129_100000211596 [0,0,0,1,0,0|2,0,1]=4 1789 B17R2.45566 O=C(NCCC1CC1)NCc2ccccc2 2708a_100000764129_100015324214 [0,0,0,1,0,0|2,0,1]=4 1790 B17R2.45566 O=C(NCCC1CC1)NCc2ccccc2 2708a_100015324214_100000764129 [0,0,0,1,0,0|2,0,1]=4 1791 B17R2.45566 O=C(NCCC1CC1)NCc2ccccc2 273464a_100000764129_100015324214 [0,0,0,1,0,0|2,0,1]=4 1792 B17R2.45566 O=C(NCCC1CC1)NCc2ccccc2 273464a_100015324214_100000764129 [0,0,0,1,0,0|2,0,1]=4 1793 B17R2.45566 O=C(NCCC1CC1)NCc2ccccc2 512a_100000764129_100015324214 [0,0,0,1,0,0|2,0,1]=4 1794 B17R2.45566 O=C(NCCC1CC1)NCc2ccccc2 512a_100015324214_100000764129 [0,0,0,1,0,0|2,0,1]=4 1795 B17R2.45566 O=C(NCCC1CC1)NNc2ccccc2 273464a_100000764129_100015195140 [0,0,0,1,0,0|3,0,0]=4 1796 B17R2.45566 O=C(NCCC1CC1)NNc2ccccc2 512a_100000764129_100015195140 [0,0,0,1,0,0|3,0,0]=4 1797 B17R2.76756 O=C(C=Cc1ccccc1)CC2CC2(F)F 1458a_100000210462_100009817841 [0,0,0,1,0,0|3,0,0]=4 1798 B17R2.76756 O=C(C=Cc1ccccc1)NC2CC2(F)F 1626a_100020610826_100000210462 [0,0,0,1,0,0|3,0,0]=4 1799 B17R2.956519 CC(C)CCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100011214892 [0,0,0,1,0,0|1,0,2]=4 1800 B17R2.956519 CC(C)CCNC(=O)C1Cc2c1cccc2 11a_100000210545_200000238571 [0,0,0,1,0,0|1,0,2]=4 1801 B17R2.956519 CC(C)CCNC(=O)C1Cc2c1cccc2 1626a_100000210545_200000238571 [0,0,0,1,0,0|1,0,2]=4 1802 B17R2.956519 CC(C)CCNC(=O)C1Cc2c1cccc2 240690a_100000210545_200000238571 [0,0,0,1,0,0|1,0,2]=4 1803 B17R2.956519 CC(C)CCNC(=O)C1Cc2c1cccc2 527a_100000210545_200000238571 [0,0,0,1,0,0|1,0,2]=4 1804 B15R1.503 CC(C)CCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100011214892 [0,0,0,0,1,0|3,0,0]=4 1805 B15R1.503 CC(C)CCCC(=O)C=Cc1cccs1 1458a_100000182767_100011214892 [0,0,0,0,1,0|2,0,0]=3 1806 B15R1.503 CC(C)CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100011214892 [0,0,0,0,1,0|2,0,0]=3 1807 B15R1.503 CC(C)CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100011214892 [0,0,0,0,1,0|2,0,0]=3 1808 B15R1.503 CC(C)CCCC(=O)C=Cc1cscn1 1458a_200000747928_100011214892 [0,0,0,0,1,0|3,0,0]=4 1809 B15R1.503 CC(C)CCCC(=O)C=Cc1nccs1 1458a_100102558208_100011214892 [0,0,0,0,1,0|3,0,0]=4 1810 B15R1.503 CC(C)CCCC(=O)C=Cc1nccs1 6a_100000750902_100000753411 [0,0,0,0,1,0|3,0,0]=4 1811 B15R1.503 CC(C)CCNC(=O)C=Cc1c[nH]cn1 240690a_100000210545_100102678534 [0,0,0,0,1,0|3,0,0]=4 1812 B15R1.503 CC(C)CCNC(=O)C=Cc1cccs1 11a_100000210545_100000182767 [0,0,0,0,1,0|2,0,0]=3 1813 B15R1.503 CC(C)CCNC(=O)C=Cc1cccs1 1626a_100000210545_100000182767 [0,0,0,0,1,0|2,0,0]=3 1814 B15R1.503 CC(C)CCNC(=O)C=Cc1cccs1 240690a_100000210545_100000182767 [0,0,0,0,1,0|2,0,0]=3 1815 B15R1.503 CC(C)CCNC(=O)C=Cc1ccoc1 11a_100000210545_100000238621 [0,0,0,0,1,0|2,0,0]=3 1816 B15R1.503 CC(C)CCNC(=O)C=Cc1ccoc1 1626a_100000210545_100000238621 [0,0,0,0,1,0|2,0,0]=3 1817 B15R1.503 CC(C)CCNC(=O)C=Cc1ccoc1 240690a_100000210545_100000238621 [0,0,0,0,1,0|2,0,0]=3 1818 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 11a_100000210545_100000698588 [0,0,0,0,1,0|2,0,0]=3 1819 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 1626a_100000210545_100000698588 [0,0,0,0,1,0|2,0,0]=3 1820 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 240690a_100000210545_100000698588 [0,0,0,0,1,0|2,0,0]=3 1821 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 527a_100000210545_100000698588 [0,0,0,0,1,0|2,0,0]=3 1822 B15R1.503 CC(C)CCNC(=O)C=Cc1cscn1 11a_100000210545_200000747928 [0,0,0,0,1,0|3,0,0]=4 1823 B15R1.503 CC(C)CCNC(=O)C=Cc1cscn1 1626a_100000210545_200000747928 [0,0,0,0,1,0|3,0,0]=4 1824 B15R1.503 CC(C)CCNC(=O)C=Cc1cscn1 240690a_100000210545_200000747928 [0,0,0,0,1,0|3,0,0]=4 1825 B15R1.503 CC(C)CCNC(=O)C=Cc1nccs1 11a_100000210545_100102558208 [0,0,0,0,1,0|3,0,0]=4 1826 B15R1.503 CC(C)CCNC(=O)C=Cc1nccs1 240690a_100000210545_100102558208 [0,0,0,0,1,0|3,0,0]=4 1827 B15R1.503 CC(C)CNNC(=O)C=Cc1ccco1 22a_100000696102_100000720202 [0,0,0,0,1,0|3,0,0]=4 1828 B15R1.503 CC(C)CNNC(=O)C=Cc1cccs1 22a_100000696102_100000182767 [0,0,0,0,1,0|3,0,0]=4 1829 B15R1.503 CC(C)CNNC(=O)C=Cc1ccoc1 22a_100000696102_100000238621 [0,0,0,0,1,0|3,0,0]=4 1830 B15R1.503 CC(C)CNNC(=O)C=Cc1ccsc1 22a_100000696102_100000698588 [0,0,0,0,1,0|3,0,0]=4 1831 B15R1.503 CC(C)OCCC(=O)C=Cc1cccs1 1458a_100000182767_100000211751 [0,0,0,0,1,0|3,0,0]=4 1832 B15R1.503 CC(C)OCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000211751 [0,0,0,0,1,0|3,0,0]=4 1833 B15R1.503 CC(C)OCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000211751 [0,0,0,0,1,0|3,0,0]=4 1834 B15R1.503 CC(C)SCCC(=O)C=Cc1cccs1 1458a_100000182767_100000730970 [0,0,0,0,1,0|3,0,0]=4 1835 B15R1.503 CC(C)SCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000730970 [0,0,0,0,1,0|3,0,0]=4 1836 B15R1.503 CC(C)SCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000730970 [0,0,0,0,1,0|3,0,0]=4 1837 B15R1.503 CC(O)CCCC(=O)C=Cc1cccs1 1458a_100000182767_200000718107 [0,0,0,0,1,0|3,0,0]=4 1838 B15R1.503 CC(O)CCCC(=O)C=Cc1ccoc1 1458a_100000238621_200000718107 [0,0,0,0,1,0|3,0,0]=4 1839 B15R1.503 CC(O)CCCC(=O)C=Cc1ccsc1 1458a_100000698588_200000718107 [0,0,0,0,1,0|3,0,0]=4 1840 B15R1.503 CC(O)CCNC(=O)C=Cc1cccs1 240690a_200000755665_100000182767 [0,0,0,0,1,0|3,0,0]=4 1841 B15R1.503 CC(O)CCNC(=O)C=Cc1ccoc1 240690a_200000755665_100000238621 [0,0,0,0,1,0|3,0,0]=4 1842 B15R1.503 CC(O)CCNC(=O)C=Cc1ccsc1 240690a_200000755665_100000698588 [0,0,0,0,1,0|3,0,0]=4 1843 B15R1.503 CC(O)CCNC(=O)C=Cc1ccsc1 527a_200000755665_100000698588 [0,0,0,0,1,0|3,0,0]=4 1844 B15R1.503 CN(C)CCCC(=O)C=Cc1cccs1 1458a_100000182767_100000695564 [0,0,0,0,1,0|3,0,0]=4 1845 B15R1.503 CN(C)CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000695564 [0,0,0,0,1,0|3,0,0]=4 1846 B15R1.503 CN(C)CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000695564 [0,0,0,0,1,0|3,0,0]=4 1847 B15R1.503 CN(C)CCNC(=O)C=Cc1cccs1 240690a_100000210585_100000182767 [0,0,0,0,1,0|3,0,0]=4 1848 B15R1.503 CN(C)CCNC(=O)C=Cc1ccoc1 240690a_100000210585_100000238621 [0,0,0,0,1,0|3,0,0]=4 1849 B15R1.503 CN(C)CCNC(=O)C=Cc1ccsc1 240690a_100000210585_100000698588 [0,0,0,0,1,0|3,0,0]=4 1850 B15R1.503 CN(C)CCNC(=O)C=Cc1ccsc1 527a_100000210585_100000698588 [0,0,0,0,1,0|3,0,0]=4 1851 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)C 34a_200025717232_100000210624 [0,0,0,0,1,0|3,0,0]=4 1852 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)C 7a_200025717232_100000210760 [0,0,0,0,1,0|3,0,0]=4 1853 B15R1.1081 CC(C)CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100011214892 [0,0,0,0,1,0|2,0,1]=4 1854 B15R1.1081 CC(C)CCCC(=O)Cc1ccccc1 1458a_100011216857_100015291786 [0,0,0,0,1,0|1,0,1]=3 1855 B15R1.1081 CC(C)CCCC(=O)Cc1ccccn1 1458a_100000233486_100011214892 [0,0,0,0,1,0|2,0,1]=4 1856 B15R1.1081 CC(C)CCCC(=O)Cc1ccccn1 1458a_100011216857_100000721315 [0,0,0,0,1,0|2,0,1]=4 1857 B15R1.1081 CC(C)CCCC(=O)Cc1cccnc1 1458a_100000737805_100011214892 [0,0,0,0,1,0|2,0,1]=4 1858 B15R1.1081 CC(C)CCCC(=O)Cc1cccnc1 1458a_100011216857_100000733263 [0,0,0,0,1,0|2,0,1]=4 1859 B15R1.1081 CC(C)CCCC(=O)Cc1ccncc1 1458a_100011216857_100000705612 [0,0,0,0,1,0|2,0,1]=4 1860 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 11a_100000106764_100011216857 [0,0,0,0,1,0|2,0,0]=3 1861 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 1626a_100000106764_100011216857 [0,0,0,0,1,0|2,0,0]=3 1862 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 22a_100000106764_100011216857 [0,0,0,0,1,0|2,0,0]=3 1863 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 527a_100000106764_100011216857 [0,0,0,0,1,0|2,0,0]=3 1864 B15R1.1081 CC(C)CCNC(=O)C[n+]1ccccc1 11a_100000210545_200000086051 [0,0,0,0,1,0|2,0,1]=4 1865 B15R1.1081 CC(C)CCNC(=O)C[n+]1ccccc1 240690a_100000210545_200000086051 [0,0,0,0,1,0|2,0,1]=4 1866 B15R1.1081 CC(C)CCNC(=O)C[n+]1ccccc1 527a_100000210545_200000086051 [0,0,0,0,1,0|2,0,1]=4 1867 B15R1.1081 CC(C)CCNC(=O)Cc1ccccn1 11a_100000210545_100000233486 [0,0,0,0,1,0|2,0,1]=4 1868 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 11a_100000210545_100000737805 [0,0,0,0,1,0|2,0,1]=4 1869 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 240690a_100000210545_100000737805 [0,0,0,0,1,0|2,0,1]=4 1870 B15R1.1081 CC(C)CCNC(=O)Cc1cccnc1 527a_100000210545_100000737805 [0,0,0,0,1,0|2,0,1]=4 1871 B15R1.1081 CC(C)CCNC(=O)Cc1ccncc1 11a_100000210545_100011201483 [0,0,0,0,1,0|2,0,1]=4 1872 B15R1.1081 CC(C)CCNC(=O)Cc1ccncc1 240690a_100000210545_100011201483 [0,0,0,0,1,0|2,0,1]=4 1873 B15R1.1081 CC(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000210545 [0,0,0,0,1,0|2,0,0]=3 1874 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 34a_100000210254_200011218536 [0,0,0,0,1,0|1,0,2]=4 1875 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 34a_100000748627_100000210312 [0,0,0,0,1,0|1,0,2]=4 1876 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 7a_100000210254_200011218536 [0,0,0,0,1,0|1,0,2]=4 1877 B15R1.1081 CC(C)CCOC(C)Cc1ccccc1 7a_100000748627_100000210626 [0,0,0,0,1,0|1,0,2]=4 1878 B15R1.1081 CC(C)CNCC(=O)Cc1ccccc1 2230a_100000210953_100000233483 [0,0,0,0,1,0|2,0,1]=4 1879 B15R1.1081 CC(C)CNCC(=O)Nc1ccccc1 2230a_100000210953_100000182850 [0,0,0,0,1,0|3,0,0]=4 1880 B15R1.1081 CC(C)CNCC(=O)Nc1ccccc1 270004a_100000742222_100000210432 [0,0,0,0,1,0|3,0,0]=4 1881 B15R1.1081 CC(C)CNCC(=O)Nc1ccccc1 34a_100000210953_100000182850 [0,0,0,0,1,0|3,0,0]=4 1882 B15R1.1081 CC(C)CNCC(=O)Oc1ccccc1 2230a_100000210953_100009813826 [0,0,0,0,1,0|3,0,0]=4 1883 B15R1.1081 CC(C)CNCC(=O)Oc1ccccc1 34a_100000210953_100009813826 [0,0,0,0,1,0|3,0,0]=4 1884 B15R1.1081 CC(C)COCC(=O)Cc1ccccc1 1458a_100011223364_100015291786 [0,0,0,0,1,0|2,0,1]=4 1885 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 11a_100000106764_100011223364 [0,0,0,0,1,0|3,0,0]=4 1886 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 1626a_100000106764_100011223364 [0,0,0,0,1,0|3,0,0]=4 1887 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 22a_100000106764_100011223364 [0,0,0,0,1,0|3,0,0]=4 1888 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 34a_100000210257_100000182850 [0,0,0,0,1,0|3,0,0]=4 1889 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 34a_100000246334_100000210624 [0,0,0,0,1,0|3,0,0]=4 1890 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 527a_100000106764_100011223364 [0,0,0,0,1,0|3,0,0]=4 1891 B15R1.1081 CC(C)COCC(=O)Oc1ccccc1 34a_100000210257_100009813826 [0,0,0,0,1,0|3,0,0]=4 1892 B15R1.1081 CC(C)CSCC(=O)Cc1ccccc1 62a_100000210624_100000233483 [0,0,0,0,1,0|2,0,1]=4 1893 B15R1.1081 CC(C)CSCC(=O)Cc1ccccc1 62a_100000233483_100000210760 [0,0,0,0,1,0|2,0,1]=4 1894 B15R1.1081 CC(C)CSCC(=O)Nc1ccccc1 62a_100000210624_100000182850 [0,0,0,0,1,0|3,0,0]=4 1895 B15R1.1081 CC(C)CSCC(=O)Nc1ccccc1 62a_100012148978_100000210760 [0,0,0,0,1,0|3,0,0]=4 1896 B15R1.1081 CC(C)CSCC(=O)Oc1ccccc1 62a_100000210624_100009813826 [0,0,0,0,1,0|3,0,0]=4 1897 B15R1.1081 CC(C)CSCC(=O)Oc1ccccc1 62a_100009813826_100000210760 [0,0,0,0,1,0|3,0,0]=4 1898 B15R1.1081 CC(C)NCCC(=O)Nc1ccccc1 2230a_100138425928_100000242058 [0,0,0,0,1,0|3,0,0]=4 1899 B15R1.1081 CC(C)NCCC(=O)Nc1ccccc1 34a_100138425928_100000242058 [0,0,0,0,1,0|3,0,0]=4 1900 B15R1.1081 CC(C)NCCC(=O)Oc1ccccc1 2230a_100138425928_200000035796 [0,0,0,0,1,0|3,0,0]=4 1901 B15R1.1081 CC(C)OCCC(=O)Nc1ccccc1 34a_100000212225_100000242058 [0,0,0,0,1,0|3,0,0]=4 1902 B15R1.1081 CC(C)SCCC(=O)Nc1ccccc1 62a_100000210206_100000242058 [0,0,0,0,1,0|3,0,0]=4 1903 B15R1.1081 CC(C)SCCC(=O)Oc1ccccc1 62a_100000210206_200000035796 [0,0,0,0,1,0|3,0,0]=4 1904 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 1626a_100000106764_100000761597 [0,0,0,0,1,0|3,0,0]=4 1905 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 22a_100000106764_100000761597 [0,0,0,0,1,0|3,0,0]=4 1906 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 527a_100000106764_100000761597 [0,0,0,0,1,0|3,0,0]=4 1907 B15R1.1081 CC(O)CCNC(=O)Nc1ccccc1 2430a_100000106764_200000755665 [0,0,0,0,1,0|3,0,0]=4 1908 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 11a_100000106764_100000740757 [0,0,0,0,1,0|3,0,0]=4 1909 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 2230a_100102631434_100011194425 [0,0,0,0,1,0|3,0,0]=4 1910 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 22a_100000106764_100000740757 [0,0,0,0,1,0|3,0,0]=4 1911 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 269982a_100102631434_100011194425 [0,0,0,0,1,0|3,0,0]=4 1912 B15R1.1081 CN(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000210585 [0,0,0,0,1,0|3,0,0]=4 1913 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730704 [0,0,0,0,1,0|0,0,2]=3 1914 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000730704 [0,0,0,0,1,0|1,0,2]=4 1915 B15R1.5919 C=C(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000730704 [0,0,0,0,1,0|1,0,2]=4 1916 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000730704 [0,0,0,0,1,0|1,0,2]=4 1917 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 11a_100000765925_100000210462 [0,0,0,0,1,0|1,0,2]=4 1918 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 1626a_100000765925_100000210462 [0,0,0,0,1,0|1,0,2]=4 1919 B15R1.5919 CC(=CCC(=O)C=Cc1ccccc1)C 1458a_100000210462_100000761012 [0,0,0,0,1,0|0,0,2]=3 1920 B15R1.5919 CC(=CCC(=O)C=Cc1ccccn1)C 1458a_100000740811_100000761012 [0,0,0,0,1,0|1,0,2]=4 1921 B15R1.5919 CC(=CCC(=O)C=Cc1cccnc1)C 1458a_100000735890_100000761012 [0,0,0,0,1,0|1,0,2]=4 1922 B15R1.5919 CC(=CCC(=O)C=Cc1ccncc1)C 1458a_100000682801_100000761012 [0,0,0,0,1,0|1,0,2]=4 1923 B15R1.5919 CC(=NNC(C)C)C=Cc1ccccc1 4a_100000741168_100000204604 [0,0,0,0,1,0|3,0,0]=4 1924 B15R1.5919 CC(=NNc1ccccc1)CCC(C)C 4a_100015195140_100000210476 [0,0,0,0,1,0|3,0,0]=4 1925 B15R1.5919 CC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200000210301 [0,0,0,0,1,0|2,0,1]=4 1926 B15R1.5919 CC(C)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210312 [0,0,0,0,1,0|0,0,2]=3 1927 B15R1.5919 CC(C)CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210312 [0,0,0,0,1,0|1,0,2]=4 1928 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210312 [0,0,0,0,1,0|0,0,0]=1 1929 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210312 [0,0,0,0,1,0|1,0,0]=2 1930 B15R1.5919 CC(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210312 [0,0,0,0,1,0|1,0,0]=2 1931 B15R1.5919 CC(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210312 [0,0,0,0,1,0|1,0,0]=2 1932 B15R1.5919 CC(C)CCC(=O)C=Cc1cncnc1 6a_100000749868_100000210476 [0,0,0,0,1,0|2,0,0]=3 1933 B15R1.5919 CC(C)CCC(=O)CCc1ccccc1 1458a_100000181311_100000765856 [0,0,0,0,1,0|0,0,2]=3 1934 B15R1.5919 CC(C)CCC(=O)CCc1ccccc1 1458a_100000185753_100000210312 [0,0,0,0,1,0|0,0,2]=3 1935 B15R1.5919 CC(C)CCC(=O)CCc1ccccn1 1458a_100000181311_100015183660 [0,0,0,0,1,0|1,0,2]=4 1936 B15R1.5919 CC(C)CCC(=O)CCc1ccccn1 1458a_100015195070_100000210312 [0,0,0,0,1,0|1,0,2]=4 1937 B15R1.5919 CC(C)CCC(=O)CCc1cccnc1 1458a_100000181311_200011713674 [0,0,0,0,1,0|1,0,2]=4 1938 B15R1.5919 CC(C)CCC(=O)CCc1cccnc1 1458a_100000198484_100000210312 [0,0,0,0,1,0|1,0,2]=4 1939 B15R1.5919 CC(C)CCC(=O)CCc1ccncc1 1458a_100000181311_100000723409 [0,0,0,0,1,0|1,0,2]=4 1940 B15R1.5919 CC(C)CCC(=O)CCc1ccncc1 1458a_100011225043_100000210312 [0,0,0,0,1,0|1,0,2]=4 1941 B15R1.5919 CC(C)CCC(=O)COc1ccccc1 1458a_100000186222_100000210312 [0,0,0,0,1,0|1,0,1]=3 1942 B15R1.5919 CC(C)CCC(=O)COc1ccccn1 1458a_100102699861_100000210312 [0,0,0,0,1,0|2,0,1]=4 1943 B15R1.5919 CC(C)CCC(=O)COc1cccnc1 1458a_100015207166_100000210312 [0,0,0,0,1,0|2,0,1]=4 1944 B15R1.5919 CC(C)CCC(=O)CSc1ccccc1 1458a_100000211596_100000210312 [0,0,0,0,1,0|1,0,1]=3 1945 B15R1.5919 CC(C)CCC(=O)CSc1ccccn1 1458a_100000156281_100000210312 [0,0,0,0,1,0|2,0,1]=4 1946 B15R1.5919 CC(C)CCC(=O)CSc1ccncc1 1458a_100000211328_100000210312 [0,0,0,0,1,0|2,0,1]=4 1947 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000181311 [0,0,0,0,1,0|1,0,1]=3 1948 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 1626a_100015324214_100000181311 [0,0,0,0,1,0|1,0,1]=3 1949 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000181311 [0,0,0,0,1,0|1,0,1]=3 1950 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000181311 [0,0,0,0,1,0|1,0,1]=3 1951 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 11a_100000210449_100000181311 [0,0,0,0,1,0|2,0,1]=4 1952 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 1626a_100000210449_100000181311 [0,0,0,0,1,0|2,0,1]=4 1953 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 240690a_100000210449_100000181311 [0,0,0,0,1,0|2,0,1]=4 1954 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 527a_100000210449_100000181311 [0,0,0,0,1,0|2,0,1]=4 1955 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 11a_100000210453_100000181311 [0,0,0,0,1,0|2,0,1]=4 1956 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 240690a_100000210453_100000181311 [0,0,0,0,1,0|2,0,1]=4 1957 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 527a_100000210453_100000181311 [0,0,0,0,1,0|2,0,1]=4 1958 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 11a_100000210450_100000181311 [0,0,0,0,1,0|2,0,1]=4 1959 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 1626a_100000210450_100000181311 [0,0,0,0,1,0|2,0,1]=4 1960 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 240690a_100000210450_100000181311 [0,0,0,0,1,0|2,0,1]=4 1961 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 527a_100000210450_100000181311 [0,0,0,0,1,0|2,0,1]=4 1962 B15R1.5919 CC(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000181311 [0,0,0,0,1,0|2,0,0]=3 1963 B15R1.5919 CC(C)CCC(=O)NNc1ccccn1 22a_100000183288_100000181311 [0,0,0,0,1,0|3,0,0]=4 1964 B15R1.5919 CC(C)CCC(=O)NNc1cccnc1 22a_100000728903_100000181311 [0,0,0,0,1,0|3,0,0]=4 1965 B15R1.5919 CC(C)CCC(=O)NNc1ccncc1 22a_100000698918_100000181311 [0,0,0,0,1,0|3,0,0]=4 1966 B15R1.5919 CC(C)CNC(=O)C#Cc1ccccc1 240690a_100000210953_100000736102 [0,0,0,0,1,0|1,0,2]=4 1967 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 11a_100000210953_100000210462 [0,0,0,0,1,0|1,0,0]=2 1968 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 1626a_100000210953_100000210462 [0,0,0,0,1,0|1,0,0]=2 1969 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 11a_100000210953_100000740811 [0,0,0,0,1,0|2,0,0]=3 1970 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 240690a_100000210953_100000740811 [0,0,0,0,1,0|2,0,0]=3 1971 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 11a_100000210953_100000735890 [0,0,0,0,1,0|2,0,0]=3 1972 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 240690a_100000210953_100000735890 [0,0,0,0,1,0|2,0,0]=3 1973 B15R1.5919 CC(C)CNC(=O)C=Cc1ccncc1 240690a_100000210953_100000682801 [0,0,0,0,1,0|2,0,0]=3 1974 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 11a_100000210953_100000185753 [0,0,0,0,1,0|1,0,2]=4 1975 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 1626a_100000210953_100000185753 [0,0,0,0,1,0|1,0,2]=4 1976 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 240690a_100000210953_100000185753 [0,0,0,0,1,0|1,0,2]=4 1977 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 527a_100000210953_100000185753 [0,0,0,0,1,0|1,0,2]=4 1978 B15R1.5919 CC(C)CNC(=O)CNc1ccccc1 34a_100000106764_100000183291 [0,0,0,0,1,0|2,0,1]=4 1979 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 11a_100000210953_100000186222 [0,0,0,0,1,0|2,0,1]=4 1980 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 1626a_100000210953_100000186222 [0,0,0,0,1,0|2,0,1]=4 1981 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 240690a_100000210953_100000186222 [0,0,0,0,1,0|2,0,1]=4 1982 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 34a_100000210340_100000183291 [0,0,0,0,1,0|2,0,1]=4 1983 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 527a_100000210953_100000186222 [0,0,0,0,1,0|2,0,1]=4 1984 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 7a_100000210340_100000183291 [0,0,0,0,1,0|2,0,1]=4 1985 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 11a_100000210953_100000211596 [0,0,0,0,1,0|2,0,1]=4 1986 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 1626a_100000210953_100000211596 [0,0,0,0,1,0|2,0,1]=4 1987 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 240690a_100000210953_100000211596 [0,0,0,0,1,0|2,0,1]=4 1988 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 527a_100000210953_100000211596 [0,0,0,0,1,0|2,0,1]=4 1989 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 62a_100000183291_100000041952 [0,0,0,0,1,0|2,0,1]=4 1990 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 62a_100000719477_100000183291 [0,0,0,0,1,0|2,0,1]=4 1991 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 2708a_100000210953_100015324214 [0,0,0,0,1,0|2,0,1]=4 1992 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 2708a_100015324214_100000210953 [0,0,0,0,1,0|2,0,1]=4 1993 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 273464a_100000210953_100015324214 [0,0,0,0,1,0|2,0,1]=4 1994 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 273464a_100015324214_100000210953 [0,0,0,0,1,0|2,0,1]=4 1995 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 512a_100000210953_100015324214 [0,0,0,0,1,0|2,0,1]=4 1996 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 512a_100015324214_100000210953 [0,0,0,0,1,0|2,0,1]=4 1997 B15R1.5919 CC(C)CNC(=O)NNc1ccccc1 273464a_100000210953_100015195140 [0,0,0,0,1,0|3,0,0]=4 1998 B15R1.5919 CC(C)CNC(=O)NNc1ccccc1 512a_100000210953_100015195140 [0,0,0,0,1,0|3,0,0]=4 1999 B15R1.5919 CC(C)NCC(=O)CCc1ccccc1 2230a_100138425928_100012361361 [0,0,0,0,1,0|1,0,2]=4 2000 B15R1.5919 CC(C)NCC(=O)CCc1ccccc1 34a_100138425928_100012361361 [0,0,0,0,1,0|1,0,2]=4 2001 B15R1.5919 CC(C)NCC(=O)NCc1ccccc1 2230a_100000739245_100000210206 [0,0,0,0,1,0|2,0,1]=4 2002 B15R1.5919 CC(C)NCC(=O)NCc1ccccc1 2230a_100138425928_100000183539 [0,0,0,0,1,0|2,0,1]=4 2003 B15R1.5919 CC(C)NCC(=O)NCc1ccccc1 34a_100138425928_100000183539 [0,0,0,0,1,0|2,0,1]=4 2004 B15R1.5919 CC(C)NCC(=O)OCc1ccccc1 2230a_100138425928_100000753625 [0,0,0,0,1,0|2,0,1]=4 2005 B15R1.5919 CC(C)NCC(=O)OCc1ccccc1 34a_100138425928_100000753625 [0,0,0,0,1,0|2,0,1]=4 2006 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccc1 22a_100000741168_100000210462 [0,0,0,0,1,0|2,0,0]=3 2007 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccn1 22a_100000741168_100000740811 [0,0,0,0,1,0|3,0,0]=4 2008 B15R1.5919 CC(C)NNC(=O)C=Cc1cccnc1 22a_100000741168_100000735890 [0,0,0,0,1,0|3,0,0]=4 2009 B15R1.5919 CC(C)NNC(=O)C=Cc1ccncc1 22a_100000741168_100000682801 [0,0,0,0,1,0|3,0,0]=4 2010 B15R1.5919 CC(C)OCC(=O)CCc1ccccc1 1458a_100000745533_100000765856 [0,0,0,0,1,0|1,0,2]=4 2011 B15R1.5919 CC(C)OCC(=O)CCc1ccccc1 34a_100000212225_100012361361 [0,0,0,0,1,0|1,0,2]=4 2012 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 11a_100015324214_100000745533 [0,0,0,0,1,0|2,0,1]=4 2013 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 1626a_100015324214_100000745533 [0,0,0,0,1,0|2,0,1]=4 2014 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 240690a_100015324214_100000745533 [0,0,0,0,1,0|2,0,1]=4 2015 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 34a_100000212225_100000183539 [0,0,0,0,1,0|2,0,1]=4 2016 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 527a_100015324214_100000745533 [0,0,0,0,1,0|2,0,1]=4 2017 B15R1.5919 CC(C)OCC(=O)NNc1ccccc1 22a_100015195140_100000745533 [0,0,0,0,1,0|3,0,0]=4 2018 B15R1.5919 CC(C)OCC(=O)OCc1ccccc1 34a_100000212225_100000753625 [0,0,0,0,1,0|2,0,1]=4 2019 B15R1.5919 CC(C)SCC(=O)CCc1ccccc1 1458a_100000241585_100000765856 [0,0,0,0,1,0|1,0,2]=4 2020 B15R1.5919 CC(C)SCC(=O)CCc1ccccc1 62a_100000210206_100012361361 [0,0,0,0,1,0|1,0,2]=4 2021 B15R1.5919 CC(C)SCC(=O)CCc1ccccc1 62a_100012361361_100000210206 [0,0,0,0,1,0|1,0,2]=4 2022 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 11a_100015324214_100000241585 [0,0,0,0,1,0|2,0,1]=4 2023 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 1626a_100015324214_100000241585 [0,0,0,0,1,0|2,0,1]=4 2024 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 240690a_100015324214_100000241585 [0,0,0,0,1,0|2,0,1]=4 2025 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 527a_100015324214_100000241585 [0,0,0,0,1,0|2,0,1]=4 2026 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 62a_100000183539_100000210206 [0,0,0,0,1,0|2,0,1]=4 2027 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 62a_100000210206_100000183539 [0,0,0,0,1,0|2,0,1]=4 2028 B15R1.5919 CC(C)SCC(=O)NNc1ccccc1 22a_100015195140_100000241585 [0,0,0,0,1,0|3,0,0]=4 2029 B15R1.5919 CC(C)SCC(=O)OCc1ccccc1 62a_100000210206_100000753625 [0,0,0,0,1,0|2,0,1]=4 2030 B15R1.5919 CC(C)SCC(=O)OCc1ccccc1 62a_100000753625_100000210206 [0,0,0,0,1,0|2,0,1]=4 2031 B15R1.5919 CC(O)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100012276601 [0,0,0,0,1,0|1,0,2]=4 2032 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100012276601 [0,0,0,0,1,0|1,0,0]=2 2033 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100012276601 [0,0,0,0,1,0|2,0,0]=3 2034 B15R1.5919 CC(O)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100012276601 [0,0,0,0,1,0|2,0,0]=3 2035 B15R1.5919 CC(O)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100012276601 [0,0,0,0,1,0|2,0,0]=3 2036 B15R1.5919 CC(O)CCC(=O)CCc1ccccc1 1458a_100000185753_100012276601 [0,0,0,0,1,0|1,0,2]=4 2037 B15R1.5919 CC(O)CCC(=O)COc1ccccc1 1458a_100000186222_100012276601 [0,0,0,0,1,0|2,0,1]=4 2038 B15R1.5919 CC(O)CCC(=O)CSc1ccccc1 1458a_100000211596_100012276601 [0,0,0,0,1,0|2,0,1]=4 2039 B15R1.5919 CC(O)CCC(=O)NCc1ccccc1 1626a_100015324214_100000718519 [0,0,0,0,1,0|2,0,1]=4 2040 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccc1 11a_100000210904_100000210462 [0,0,0,0,1,0|2,0,0]=3 2041 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 11a_100000210904_100000740811 [0,0,0,0,1,0|3,0,0]=4 2042 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 240690a_100000210904_100000740811 [0,0,0,0,1,0|3,0,0]=4 2043 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 11a_100000210904_100000735890 [0,0,0,0,1,0|3,0,0]=4 2044 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 240690a_100000210904_100000735890 [0,0,0,0,1,0|3,0,0]=4 2045 B15R1.5919 CC(O)CNC(=O)C=Cc1ccncc1 240690a_100000210904_100000682801 [0,0,0,0,1,0|3,0,0]=4 2046 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000689311 [0,0,0,0,1,0|2,0,1]=4 2047 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000689311 [0,0,0,0,1,0|2,0,1]=4 2048 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000689311 [0,0,0,0,1,0|2,0,1]=4 2049 B15R1.5919 CN(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000689311 [0,0,0,0,1,0|3,0,0]=4 2050 B15R1.5919 CN(C)CCC(=O)OCc1ccccc1 2230a_100102631434_100009813219 [0,0,0,0,1,0|2,0,1]=4 2051 B15R1.5919 CN(C)CCC(=O)OCc1ccccc1 269982a_100102631434_100009813219 [0,0,0,0,1,0|2,0,1]=4 2052 B15R1.5919 C[S+](C)CCC(=O)CCc1ccccc1 1458a_100009452791_100000765856 [0,0,0,0,1,0|1,0,2]=4 2053 B15R1.5919 C[S+](C)CCC(=O)NCc1ccccc1 11a_100015324214_100009452791 [0,0,0,0,1,0|2,0,1]=4 2054 B15R1.5919 C[S+](C)CCC(=O)NCc1ccccc1 1626a_100015324214_100009452791 [0,0,0,0,1,0|2,0,1]=4 2055 B15R1.5919 C[S+](C)CCC(=O)NCc1ccccc1 240690a_100015324214_100009452791 [0,0,0,0,1,0|2,0,1]=4 2056 B15R1.5919 C[S+](C)CCC(=O)NNc1ccccc1 22a_100015195140_100009452791 [0,0,0,0,1,0|3,0,0]=4 2057 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 11a_100000765723_100000210462 [0,0,0,0,1,0|3,0,0]=4 2058 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 1626a_100000765723_100000210462 [0,0,0,0,1,0|3,0,0]=4 2059 B15R1.5919 [13CH3]C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200025704644 [0,0,0,0,1,0|2,0,1]=4 2060 B17R1.1324 CC(=O)CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000735457 [0,0,0,0,0,1|2,0,1]=4 2061 B17R1.1324 CC(=O)OCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000042594 [0,0,0,0,0,1|2,0,1]=4 2062 B17R1.1324 CC(=O)OCCNC(=O)C=Cc1ccccc1 11a_100000724843_100000210462 [0,0,0,0,0,1|2,0,1]=4 2063 B17R1.1324 CC(=O)SCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000038929 [0,0,0,0,0,1|2,0,1]=4 2064 B17R1.1324 CC(=O)SCCNC(=O)C=Cc1ccccc1 11a_100020647217_100000210462 [0,0,0,0,0,1|2,0,1]=4 2065 B17R1.1324 CC(=S)OCCCC(=O)C=Cc1ccccc1 1458a_100000210462_200135323944 [0,0,0,0,0,1|2,0,1]=4 2066 B17R1.1324 CC(Br)CCOCC(=O)CCc1ccccc1 34a_100009893172_100012361361 [0,0,0,0,0,1|1,0,2]=4 2067 B17R1.1324 CC(Br)CCOCC(=O)NCc1ccccc1 34a_100009893172_100000183539 [0,0,0,0,0,1|2,0,1]=4 2068 B17R1.1324 CC(Br)CCOCC(=O)OCc1ccccc1 34a_100009893172_100000753625 [0,0,0,0,0,1|2,0,1]=4 2069 B17R1.1324 CC(C)CCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100011216152 [0,0,0,0,0,1|1,0,2]=4 2070 B17R1.1324 CC(C)CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011216152 [0,0,0,0,0,1|1,0,0]=2 2071 B17R1.1324 CC(C)CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011216152 [0,0,0,0,0,1|2,0,0]=3 2072 B17R1.1324 CC(C)CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011216152 [0,0,0,0,0,1|2,0,0]=3 2073 B17R1.1324 CC(C)CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011216152 [0,0,0,0,0,1|2,0,0]=3 2074 B17R1.1324 CC(C)CCCCC(=O)CCc1ccccc1 1458a_100000185753_100011216152 [0,0,0,0,0,1|1,0,2]=4 2075 B17R1.1324 CC(C)CCCCC(=O)CCc1ccccc1 1458a_100011933920_100000765856 [0,0,0,0,0,1|1,0,2]=4 2076 B17R1.1324 CC(C)CCCCC(=O)COc1ccccc1 1458a_100000186222_100011216152 [0,0,0,0,0,1|2,0,1]=4 2077 B17R1.1324 CC(C)CCCCC(=O)CSc1ccccc1 1458a_100000211596_100011216152 [0,0,0,0,0,1|2,0,1]=4 2078 B17R1.1324 CC(C)CCCCC(=O)NCc1ccccc1 11a_100015324214_100011933920 [0,0,0,0,0,1|2,0,1]=4 2079 B17R1.1324 CC(C)CCCCC(=O)NCc1ccccc1 1626a_100015324214_100011933920 [0,0,0,0,0,1|2,0,1]=4 2080 B17R1.1324 CC(C)CCCCC(=O)NCc1ccccc1 240690a_100015324214_100011933920 [0,0,0,0,0,1|2,0,1]=4 2081 B17R1.1324 CC(C)CCCCC(=O)NCc1ccccc1 527a_100015324214_100011933920 [0,0,0,0,0,1|2,0,1]=4 2082 B17R1.1324 CC(C)CCCCC(=O)NNc1ccccc1 22a_100015195140_100011933920 [0,0,0,0,0,1|3,0,0]=4 2083 B17R1.1324 CC(C)CCCNC(=O)C#Cc1ccccc1 240690a_200000737386_100000736102 [0,0,0,0,0,1|1,0,2]=4 2084 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccc1 11a_200000737386_100000210462 [0,0,0,0,0,1|1,0,0]=2 2085 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccc1 1626a_200000737386_100000210462 [0,0,0,0,0,1|1,0,0]=2 2086 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccn1 11a_200000737386_100000740811 [0,0,0,0,0,1|2,0,0]=3 2087 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccn1 240690a_200000737386_100000740811 [0,0,0,0,0,1|2,0,0]=3 2088 B17R1.1324 CC(C)CCCNC(=O)C=Cc1cccnc1 11a_200000737386_100000735890 [0,0,0,0,0,1|2,0,0]=3 2089 B17R1.1324 CC(C)CCCNC(=O)C=Cc1cccnc1 240690a_200000737386_100000735890 [0,0,0,0,0,1|2,0,0]=3 2090 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccncc1 240690a_200000737386_100000682801 [0,0,0,0,0,1|2,0,0]=3 2091 B17R1.1324 CC(C)CCCNC(=O)CCc1ccccc1 11a_200000737386_100000185753 [0,0,0,0,0,1|1,0,2]=4 2092 B17R1.1324 CC(C)CCCNC(=O)CCc1ccccc1 1626a_200000737386_100000185753 [0,0,0,0,0,1|1,0,2]=4 2093 B17R1.1324 CC(C)CCCNC(=O)CCc1ccccc1 240690a_200000737386_100000185753 [0,0,0,0,0,1|1,0,2]=4 2094 B17R1.1324 CC(C)CCCNC(=O)CCc1ccccc1 527a_200000737386_100000185753 [0,0,0,0,0,1|1,0,2]=4 2095 B17R1.1324 CC(C)CCCNC(=O)COc1ccccc1 11a_200000737386_100000186222 [0,0,0,0,0,1|2,0,1]=4 2096 B17R1.1324 CC(C)CCCNC(=O)COc1ccccc1 1626a_200000737386_100000186222 [0,0,0,0,0,1|2,0,1]=4 2097 B17R1.1324 CC(C)CCCNC(=O)COc1ccccc1 240690a_200000737386_100000186222 [0,0,0,0,0,1|2,0,1]=4 2098 B17R1.1324 CC(C)CCCNC(=O)COc1ccccc1 527a_200000737386_100000186222 [0,0,0,0,0,1|2,0,1]=4 2099 B17R1.1324 CC(C)CCCNC(=O)CSc1ccccc1 11a_200000737386_100000211596 [0,0,0,0,0,1|2,0,1]=4 2100 B17R1.1324 CC(C)CCCNC(=O)CSc1ccccc1 1626a_200000737386_100000211596 [0,0,0,0,0,1|2,0,1]=4 2101 B17R1.1324 CC(C)CCCNC(=O)CSc1ccccc1 240690a_200000737386_100000211596 [0,0,0,0,0,1|2,0,1]=4 2102 B17R1.1324 CC(C)CCCNC(=O)CSc1ccccc1 527a_200000737386_100000211596 [0,0,0,0,0,1|2,0,1]=4 2103 B17R1.1324 CC(C)CCCNC(=O)NCc1ccccc1 2708a_100015324214_200000737386 [0,0,0,0,0,1|2,0,1]=4 2104 B17R1.1324 CC(C)CCCNC(=O)NCc1ccccc1 2708a_200000737386_100015324214 [0,0,0,0,0,1|2,0,1]=4 2105 B17R1.1324 CC(C)CCCNC(=O)NCc1ccccc1 273464a_100015324214_200000737386 [0,0,0,0,0,1|2,0,1]=4 2106 B17R1.1324 CC(C)CCCNC(=O)NCc1ccccc1 273464a_200000737386_100015324214 [0,0,0,0,0,1|2,0,1]=4 2107 B17R1.1324 CC(C)CCCNC(=O)NCc1ccccc1 512a_100015324214_200000737386 [0,0,0,0,0,1|2,0,1]=4 2108 B17R1.1324 CC(C)CCCNC(=O)NCc1ccccc1 512a_200000737386_100015324214 [0,0,0,0,0,1|2,0,1]=4 2109 B17R1.1324 CC(C)CCCNC(=O)NNc1ccccc1 273464a_200000737386_100015195140 [0,0,0,0,0,1|3,0,0]=4 2110 B17R1.1324 CC(C)CCCNC(=O)NNc1ccccc1 512a_200000737386_100015195140 [0,0,0,0,0,1|3,0,0]=4 2111 B17R1.1324 CC(C)CCNCC(=O)NCc1ccccc1 2230a_100000739245_100000210312 [0,0,0,0,0,1|2,0,1]=4 2112 B17R1.1324 CC(C)CCOCC(=O)CCc1ccccc1 34a_100000210254_100012361361 [0,0,0,0,0,1|0,0,2]=3 2113 B17R1.1324 CC(C)CCOCC(=O)CCc1ccccc1 7a_100000210254_100012361361 [0,0,0,0,0,1|0,0,2]=3 2114 B17R1.1324 CC(C)CCOCC(=O)NCc1ccccc1 34a_100000210254_100000183539 [0,0,0,0,0,1|1,0,1]=3 2115 B17R1.1324 CC(C)CCOCC(=O)NCc1ccccc1 7a_100000210254_100000183539 [0,0,0,0,0,1|1,0,1]=3 2116 B17R1.1324 CC(C)CCOCC(=O)NCc1ccccn1 34a_100000210254_100000684169 [0,0,0,0,0,1|2,0,1]=4 2117 B17R1.1324 CC(C)CCOCC(=O)NCc1ccccn1 7a_100000210254_100000684169 [0,0,0,0,0,1|2,0,1]=4 2118 B17R1.1324 CC(C)CCOCC(=O)NCc1cccnc1 7a_100000210254_100000752408 [0,0,0,0,0,1|2,0,1]=4 2119 B17R1.1324 CC(C)CCOCC(=O)NCc1ccncc1 7a_100000210254_100011243468 [0,0,0,0,0,1|2,0,1]=4 2120 B17R1.1324 CC(C)CCOCC(=O)OCc1ccccc1 34a_100000210254_100000753625 [0,0,0,0,0,1|1,0,1]=3 2121 B17R1.1324 CC(C)CCOCC(=O)OCc1ccccc1 7a_100000210254_100000753625 [0,0,0,0,0,1|1,0,1]=3 2122 B17R1.1324 CC(C)CCSCC(=O)CCc1ccccc1 62a_100000210312_100012361361 [0,0,0,0,0,1|0,1,2]=4 2123 B17R1.1324 CC(C)CCSCC(=O)CCc1ccccc1 62a_100012361361_100000210312 [0,0,0,0,0,1|0,1,2]=4 2124 B17R1.1324 CC(C)CCSCC(=O)NCc1ccccc1 62a_100000183539_100000210312 [0,0,0,0,0,1|1,1,1]=4 2125 B17R1.1324 CC(C)CCSCC(=O)NCc1ccccc1 62a_100000210312_100000183539 [0,0,0,0,0,1|1,1,1]=4 2126 B17R1.1324 CC(C)CCSCC(=O)OCc1ccccc1 62a_100000210312_100000753625 [0,0,0,0,0,1|1,1,1]=4 2127 B17R1.1324 CC(C)CCSCC(=O)OCc1ccccc1 62a_100000753625_100000210312 [0,0,0,0,0,1|1,1,1]=4 2128 B17R1.1324 CC(C)CNCCC(=O)NCc1ccccc1 2230a_100025741942_100000210760 [0,0,0,0,0,1|2,0,1]=4 2129 B17R1.1324 CC(C)CNCCC(=O)NCc1ccccc1 270004a_100025741942_100000210432 [0,0,0,0,0,1|2,0,1]=4 2130 B17R1.1324 CC(C)CNCCC(=O)NCc1ccccc1 34a_100025741942_100000210624 [0,0,0,0,0,1|2,0,1]=4 2131 B17R1.1324 CC(C)CNCCC(=O)OCc1ccccc1 2230a_100000210953_100009813219 [0,0,0,0,0,1|2,0,1]=4 2132 B17R1.1324 CC(C)COCCC(=O)C=Cc1cncnc1 6a_100000749868_200011216429 [0,0,0,0,0,1|3,0,0]=4 2133 B17R1.1324 CC(C)COCCC(=O)OCc1ccccc1 7a_100009831632_100000210760 [0,0,0,0,0,1|2,0,1]=4 2134 B17R1.1324 CC(C)CSCCC(=O)OCc1ccccc1 62a_100000210624_100009813219 [0,0,0,0,0,1|2,0,1]=4 2135 B17R1.1324 CC(C)CSCCC(=O)OCc1ccccc1 62a_100009813219_100000210760 [0,0,0,0,0,1|2,0,1]=4 2136 B17R1.1324 CC(C)NCCCC(=O)OCc1ccccc1 2230a_100138425928_100009813218 [0,0,0,0,0,1|2,0,1]=4 2137 B17R1.1324 CC(C)NCCCC(=O)OCc1ccccc1 34a_100138425928_100009813218 [0,0,0,0,0,1|2,0,1]=4 2138 B17R1.1324 CC(C)NCCNC(=O)OCc1ccccc1 2230a_100138425928_100012357035 [0,0,0,0,0,1|2,0,1]=4 2139 B17R1.1324 CC(C)OCCCC(=O)OCc1ccccc1 34a_100000212225_100009813218 [0,0,0,0,0,1|2,0,1]=4 2140 B17R1.1324 CC(C)OCCCC(=O)OCc1ccccc1 7a_100009831633_100000210206 [0,0,0,0,0,1|2,0,1]=4 2141 B17R1.1324 CC(C)OCCNC(=O)C#Cc1ccccc1 240690a_100000701111_100000736102 [0,0,0,0,0,1|1,0,2]=4 2142 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccc1 11a_100000701111_100000210462 [0,0,0,0,0,1|1,0,0]=2 2143 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccc1 1626a_100000701111_100000210462 [0,0,0,0,0,1|1,0,0]=2 2144 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccn1 11a_100000701111_100000740811 [0,0,0,0,0,1|2,0,0]=3 2145 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccn1 240690a_100000701111_100000740811 [0,0,0,0,0,1|2,0,0]=3 2146 B17R1.1324 CC(C)OCCNC(=O)C=Cc1cccnc1 11a_100000701111_100000735890 [0,0,0,0,0,1|2,0,0]=3 2147 B17R1.1324 CC(C)OCCNC(=O)C=Cc1cccnc1 240690a_100000701111_100000735890 [0,0,0,0,0,1|2,0,0]=3 2148 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccncc1 240690a_100000701111_100000682801 [0,0,0,0,0,1|2,0,0]=3 2149 B17R1.1324 CC(C)OCCNC(=O)CCc1ccccc1 11a_100000701111_100000185753 [0,0,0,0,0,1|1,0,2]=4 2150 B17R1.1324 CC(C)OCCNC(=O)CCc1ccccc1 1626a_100000701111_100000185753 [0,0,0,0,0,1|1,0,2]=4 2151 B17R1.1324 CC(C)OCCNC(=O)CCc1ccccc1 240690a_100000701111_100000185753 [0,0,0,0,0,1|1,0,2]=4 2152 B17R1.1324 CC(C)OCCNC(=O)CCc1ccccc1 527a_100000701111_100000185753 [0,0,0,0,0,1|1,0,2]=4 2153 B17R1.1324 CC(C)OCCNC(=O)COc1ccccc1 11a_100000701111_100000186222 [0,0,0,0,0,1|2,0,1]=4 2154 B17R1.1324 CC(C)OCCNC(=O)COc1ccccc1 1626a_100000701111_100000186222 [0,0,0,0,0,1|2,0,1]=4 2155 B17R1.1324 CC(C)OCCNC(=O)COc1ccccc1 240690a_100000701111_100000186222 [0,0,0,0,0,1|2,0,1]=4 2156 B17R1.1324 CC(C)OCCNC(=O)COc1ccccc1 527a_100000701111_100000186222 [0,0,0,0,0,1|2,0,1]=4 2157 B17R1.1324 CC(C)OCCNC(=O)CSc1ccccc1 11a_100000701111_100000211596 [0,0,0,0,0,1|2,0,1]=4 2158 B17R1.1324 CC(C)OCCNC(=O)CSc1ccccc1 1626a_100000701111_100000211596 [0,0,0,0,0,1|2,0,1]=4 2159 B17R1.1324 CC(C)OCCNC(=O)CSc1ccccc1 240690a_100000701111_100000211596 [0,0,0,0,0,1|2,0,1]=4 2160 B17R1.1324 CC(C)OCCNC(=O)CSc1ccccc1 527a_100000701111_100000211596 [0,0,0,0,0,1|2,0,1]=4 2161 B17R1.1324 CC(C)OCCNC(=O)NCc1ccccc1 2708a_100000701111_100015324214 [0,0,0,0,0,1|2,0,1]=4 2162 B17R1.1324 CC(C)OCCNC(=O)NCc1ccccc1 2708a_100015324214_100000701111 [0,0,0,0,0,1|2,0,1]=4 2163 B17R1.1324 CC(C)OCCNC(=O)NCc1ccccc1 273464a_100000701111_100015324214 [0,0,0,0,0,1|2,0,1]=4 2164 B17R1.1324 CC(C)OCCNC(=O)NCc1ccccc1 273464a_100015324214_100000701111 [0,0,0,0,0,1|2,0,1]=4 2165 B17R1.1324 CC(C)OCCNC(=O)NCc1ccccc1 512a_100000701111_100015324214 [0,0,0,0,0,1|2,0,1]=4 2166 B17R1.1324 CC(C)OCCNC(=O)NCc1ccccc1 512a_100015324214_100000701111 [0,0,0,0,0,1|2,0,1]=4 2167 B17R1.1324 CC(C)OCCNC(=O)NNc1ccccc1 273464a_100000701111_100015195140 [0,0,0,0,0,1|3,0,0]=4 2168 B17R1.1324 CC(C)OCCNC(=O)NNc1ccccc1 512a_100000701111_100015195140 [0,0,0,0,0,1|3,0,0]=4 2169 B17R1.1324 CC(C)OCCNC(=O)OCc1ccccc1 34a_100000159002_100000210206 [0,0,0,0,0,1|2,0,1]=4 2170 B17R1.1324 CC(C)OCCNC(=O)OCc1ccccc1 7a_100000159002_100000210206 [0,0,0,0,0,1|2,0,1]=4 2171 B17R1.1324 CC(C)SCCCC(=O)OCc1ccccc1 62a_100000210206_100009813218 [0,0,0,0,0,1|2,0,1]=4 2172 B17R1.1324 CC(C)SCCCC(=O)OCc1ccccc1 62a_100009813218_100000210206 [0,0,0,0,0,1|2,0,1]=4 2173 B17R1.1324 CC(C)SCCNC(=O)C#Cc1ccccc1 240690a_100000731138_100000736102 [0,0,0,0,0,1|1,0,2]=4 2174 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccc1 11a_100000731138_100000210462 [0,0,0,0,0,1|1,0,0]=2 2175 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccc1 1626a_100000731138_100000210462 [0,0,0,0,0,1|1,0,0]=2 2176 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccn1 11a_100000731138_100000740811 [0,0,0,0,0,1|2,0,0]=3 2177 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccn1 240690a_100000731138_100000740811 [0,0,0,0,0,1|2,0,0]=3 2178 B17R1.1324 CC(C)SCCNC(=O)C=Cc1cccnc1 11a_100000731138_100000735890 [0,0,0,0,0,1|2,0,0]=3 2179 B17R1.1324 CC(C)SCCNC(=O)C=Cc1cccnc1 240690a_100000731138_100000735890 [0,0,0,0,0,1|2,0,0]=3 2180 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccncc1 240690a_100000731138_100000682801 [0,0,0,0,0,1|2,0,0]=3 2181 B17R1.1324 CC(C)SCCNC(=O)CCc1ccccc1 11a_100000731138_100000185753 [0,0,0,0,0,1|1,0,2]=4 2182 B17R1.1324 CC(C)SCCNC(=O)CCc1ccccc1 1626a_100000731138_100000185753 [0,0,0,0,0,1|1,0,2]=4 2183 B17R1.1324 CC(C)SCCNC(=O)CCc1ccccc1 240690a_100000731138_100000185753 [0,0,0,0,0,1|1,0,2]=4 2184 B17R1.1324 CC(C)SCCNC(=O)CCc1ccccc1 527a_100000731138_100000185753 [0,0,0,0,0,1|1,0,2]=4 2185 B17R1.1324 CC(C)SCCNC(=O)COc1ccccc1 11a_100000731138_100000186222 [0,0,0,0,0,1|2,0,1]=4 2186 B17R1.1324 CC(C)SCCNC(=O)COc1ccccc1 1626a_100000731138_100000186222 [0,0,0,0,0,1|2,0,1]=4 2187 B17R1.1324 CC(C)SCCNC(=O)COc1ccccc1 240690a_100000731138_100000186222 [0,0,0,0,0,1|2,0,1]=4 2188 B17R1.1324 CC(C)SCCNC(=O)COc1ccccc1 527a_100000731138_100000186222 [0,0,0,0,0,1|2,0,1]=4 2189 B17R1.1324 CC(C)SCCNC(=O)CSc1ccccc1 11a_100000731138_100000211596 [0,0,0,0,0,1|2,0,1]=4 2190 B17R1.1324 CC(C)SCCNC(=O)CSc1ccccc1 1626a_100000731138_100000211596 [0,0,0,0,0,1|2,0,1]=4 2191 B17R1.1324 CC(C)SCCNC(=O)CSc1ccccc1 240690a_100000731138_100000211596 [0,0,0,0,0,1|2,0,1]=4 2192 B17R1.1324 CC(C)SCCNC(=O)CSc1ccccc1 527a_100000731138_100000211596 [0,0,0,0,0,1|2,0,1]=4 2193 B17R1.1324 CC(C)SCCNC(=O)NCc1ccccc1 2708a_100000731138_100015324214 [0,0,0,0,0,1|2,0,1]=4 2194 B17R1.1324 CC(C)SCCNC(=O)NCc1ccccc1 2708a_100015324214_100000731138 [0,0,0,0,0,1|2,0,1]=4 2195 B17R1.1324 CC(C)SCCNC(=O)NCc1ccccc1 273464a_100000731138_100015324214 [0,0,0,0,0,1|2,0,1]=4 2196 B17R1.1324 CC(C)SCCNC(=O)NCc1ccccc1 273464a_100015324214_100000731138 [0,0,0,0,0,1|2,0,1]=4 2197 B17R1.1324 CC(C)SCCNC(=O)NCc1ccccc1 512a_100000731138_100015324214 [0,0,0,0,0,1|2,0,1]=4 2198 B17R1.1324 CC(C)SCCNC(=O)NCc1ccccc1 512a_100015324214_100000731138 [0,0,0,0,0,1|2,0,1]=4 2199 B17R1.1324 CC(C)SCCNC(=O)NNc1ccccc1 273464a_100000731138_100015195140 [0,0,0,0,0,1|3,0,0]=4 2200 B17R1.1324 CC(C)SCCNC(=O)NNc1ccccc1 512a_100000731138_100015195140 [0,0,0,0,0,1|3,0,0]=4 2201 B17R1.1324 CC(C)SCCNC(=O)OCc1ccccc1 62a_100000210206_100012357035 [0,0,0,0,0,1|2,0,1]=4 2202 B17R1.1324 CC(C)SCCNC(=O)OCc1ccccc1 62a_100012357035_100000210206 [0,0,0,0,0,1|2,0,1]=4 2203 B17R1.1324 CN(C)CCCNC(=O)C=Cc1ccccn1 240690a_102531767803_100000740811 [0,0,0,0,0,1|3,0,0]=4 2204 B17R1.1324 CN(C)CCCNC(=O)C=Cc1cccnc1 240690a_102531767803_100000735890 [0,0,0,0,0,1|3,0,0]=4 2205 B17R1.1324 CN(C)CCCNC(=O)C=Cc1ccncc1 240690a_102531767803_100000682801 [0,0,0,0,0,1|3,0,0]=4 2206 B17R1.1324 CN(C)CCNNC(=O)C=Cc1ccccc1 22a_100000738145_100000210462 [0,0,0,0,0,1|2,0,0]=3 2207 B17R1.1324 CN(C)CCNNC(=O)C=Cc1ccccn1 22a_100000738145_100000740811 [0,0,0,0,0,1|3,0,0]=4 2208 B17R1.1324 CN(C)CCNNC(=O)C=Cc1cccnc1 22a_100000738145_100000735890 [0,0,0,0,0,1|3,0,0]=4 2209 B17R1.1324 CN(C)CCNNC(=O)C=Cc1ccncc1 22a_100000738145_100000682801 [0,0,0,0,0,1|3,0,0]=4 2210 B17R1.1324 CS(=O)CCCNC(=O)C=Cc1ccccc1 11a_200000753449_100000210462 [0,0,0,0,0,1|3,0,0]=4 2211 B17R1.1324 C[C@@H](N)CCOCC(=O)CCc1ccccc1 34a_100000706166_100012361361 [0,0,0,0,0,1|1,0,2]=4 2212 B17R1.1324 C[C@@H](N)CCOCC(=O)NCc1ccccc1 34a_100000706166_100000183539 [0,0,0,0,0,1|2,0,1]=4 2213 B17R1.1324 C[C@@H](N)CCOCC(=O)OCc1ccccc1 34a_100000706166_100000753625 [0,0,0,0,0,1|2,0,1]=4 2214 B17R1.1324 O=C(C=Cc1ccccc1)CCOCC(F)F 1458a_100000210462_200012177212 [0,0,0,0,0,1|3,0,0]=4 2215 B17R1.16611 CC(=CCCC(=O)C/C=C/c1ccccc1)C 1458a_100011219626_100011217483 [0,0,0,0,0,1|1,0,2]=4 2216 B17R1.16611 CC(=CCCC(=O)C=CSc1ccccc1)C 1458a_100016262050_100011217483 [0,0,0,0,0,1|1,0,2]=4 2217 B17R1.16611 CC(=CCNC(=O)C/C=C/c1ccccc1)C 11a_100000718196_100011219626 [0,0,0,0,0,1|1,0,2]=4 2218 B17R1.16611 CC(=CCNC(=O)C/C=C/c1ccccc1)C 1626a_100000718196_100011219626 [0,0,0,0,0,1|1,0,2]=4 2219 B17R1.16611 CC(=CCNC(=O)C=CSc1ccccc1)C 11a_100000718196_100016262050 [0,0,0,0,0,1|1,0,2]=4 2220 B17R1.16611 CC(=CCNC(=O)C=CSc1ccccc1)C 1626a_100000718196_100016262050 [0,0,0,0,0,1|1,0,2]=4 2221 B17R1.16611 CC(=O)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215641 [0,0,0,0,0,1|2,0,1]=4 2222 B17R1.16611 CC(=O)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215641 [0,0,0,0,0,1|2,0,1]=4 2223 B17R1.16611 CC(C)/C=C/CC(=O)C/C=C/c1ccccc1 1458a_100016292215_100016265936 [0,0,0,0,0,1|1,0,2]=4 2224 B17R1.16611 CC(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011216857_100016265936 [0,0,0,0,0,1|1,0,0]=2 2225 B17R1.16611 CC(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011214892 [0,0,0,0,0,1|1,0,0]=2 2226 B17R1.16611 CC(C)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011214892 [0,0,0,0,0,1|1,0,0]=2 2227 B17R1.16611 CC(C)CCCC(=O)CC#Cc1ccccc1 1458a_100011216857_100011352542 [0,0,0,0,0,1|1,0,2]=4 2228 B17R1.16611 CC(C)CCCC(=O)CCCc1ccccc1 1458a_100011207963_100011214892 [0,0,0,0,0,1|1,0,2]=4 2229 B17R1.16611 CC(C)CCCC(=O)CCCc1ccccc1 1458a_100011216857_100000211621 [0,0,0,0,0,1|1,0,2]=4 2230 B17R1.16611 CC(C)CCCC(=O)CCOc1ccccc1 1458a_100000182761_100011214892 [0,0,0,0,0,1|1,0,2]=4 2231 B17R1.16611 CC(C)CCCC(=O)CCOc1ccccc1 1458a_100011216857_100000184471 [0,0,0,0,0,1|1,0,2]=4 2232 B17R1.16611 CC(C)CCCC(=O)CCSc1ccccc1 1458a_100000182436_100011214892 [0,0,0,0,0,1|1,0,2]=4 2233 B17R1.16611 CC(C)CCCC(=O)CCSc1ccccc1 1458a_100011216857_100000246102 [0,0,0,0,0,1|1,0,2]=4 2234 B17R1.16611 CC(C)CCCC(=O)COCc1ccccc1 1458a_100000230186_100011214892 [0,0,0,0,0,1|1,0,2]=4 2235 B17R1.16611 CC(C)CCCC(=O)CSCc1ccccc1 1458a_100000150264_100011214892 [0,0,0,0,0,1|1,0,2]=4 2236 B17R1.16611 CC(C)CCCC(=O)CSCc1ccccc1 1458a_100011216857_200011217039 [0,0,0,0,0,1|1,0,2]=4 2237 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 11a_100000106460_100011216857 [0,0,0,0,0,1|1,0,2]=4 2238 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 1626a_100000106460_100011216857 [0,0,0,0,0,1|1,0,2]=4 2239 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 240690a_100000106460_100011216857 [0,0,0,0,0,1|1,0,2]=4 2240 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 527a_100000106460_100011216857 [0,0,0,0,0,1|1,0,2]=4 2241 B17R1.16611 CC(C)CCCC(=O)NNCc1ccccc1 22a_100000007032_100011216857 [0,0,0,0,0,1|2,0,1]=4 2242 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1ccccc1 11a_100000210545_100011219626 [0,0,0,0,0,1|1,0,0]=2 2243 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1ccccc1 1626a_100000210545_100011219626 [0,0,0,0,0,1|1,0,0]=2 2244 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1ccccc1 240690a_100000210545_100011219626 [0,0,0,0,0,1|1,0,0]=2 2245 B17R1.16611 CC(C)CCNC(=O)C=CSc1ccccc1 11a_100000210545_100016262050 [0,0,0,0,0,1|1,0,0]=2 2246 B17R1.16611 CC(C)CCNC(=O)C=CSc1ccccc1 1626a_100000210545_100016262050 [0,0,0,0,0,1|1,0,0]=2 2247 B17R1.16611 CC(C)CCNC(=O)C=CSc1ccccc1 240690a_100000210545_100016262050 [0,0,0,0,0,1|1,0,0]=2 2248 B17R1.16611 CC(C)CCNC(=O)CCCc1ccccc1 11a_100000210545_100011207963 [0,0,0,0,0,1|1,0,2]=4 2249 B17R1.16611 CC(C)CCNC(=O)CCCc1ccccc1 1626a_100000210545_100011207963 [0,0,0,0,0,1|1,0,2]=4 2250 B17R1.16611 CC(C)CCNC(=O)CCCc1ccccc1 240690a_100000210545_100011207963 [0,0,0,0,0,1|1,0,2]=4 2251 B17R1.16611 CC(C)CCNC(=O)CCCc1ccccc1 527a_100000210545_100011207963 [0,0,0,0,0,1|1,0,2]=4 2252 B17R1.16611 CC(C)CCNC(=O)CCOc1ccccc1 11a_100000210545_100000182761 [0,0,0,0,0,1|1,0,2]=4 2253 B17R1.16611 CC(C)CCNC(=O)CCOc1ccccc1 1626a_100000210545_100000182761 [0,0,0,0,0,1|1,0,2]=4 2254 B17R1.16611 CC(C)CCNC(=O)CCOc1ccccc1 240690a_100000210545_100000182761 [0,0,0,0,0,1|1,0,2]=4 2255 B17R1.16611 CC(C)CCNC(=O)CCSc1ccccc1 11a_100000210545_100000182436 [0,0,0,0,0,1|1,0,2]=4 2256 B17R1.16611 CC(C)CCNC(=O)CCSc1ccccc1 1626a_100000210545_100000182436 [0,0,0,0,0,1|1,0,2]=4 2257 B17R1.16611 CC(C)CCNC(=O)CCSc1ccccc1 240690a_100000210545_100000182436 [0,0,0,0,0,1|1,0,2]=4 2258 B17R1.16611 CC(C)CCNC(=O)COCc1ccccc1 11a_100000210545_100000230186 [0,0,0,0,0,1|1,0,2]=4 2259 B17R1.16611 CC(C)CCNC(=O)COCc1ccccc1 1626a_100000210545_100000230186 [0,0,0,0,0,1|1,0,2]=4 2260 B17R1.16611 CC(C)CCNC(=O)COCc1ccccc1 240690a_100000210545_100000230186 [0,0,0,0,0,1|1,0,2]=4 2261 B17R1.16611 CC(C)CCNC(=O)COCc1ccccc1 527a_100000210545_100000230186 [0,0,0,0,0,1|1,0,2]=4 2262 B17R1.16611 CC(C)CCNC(=O)CSCc1ccccc1 11a_100000210545_100000150264 [0,0,0,0,0,1|1,0,2]=4 2263 B17R1.16611 CC(C)CCNC(=O)CSCc1ccccc1 1626a_100000210545_100000150264 [0,0,0,0,0,1|1,0,2]=4 2264 B17R1.16611 CC(C)CCNC(=O)CSCc1ccccc1 240690a_100000210545_100000150264 [0,0,0,0,0,1|1,0,2]=4 2265 B17R1.16611 CC(C)CCNC(=O)CSCc1ccccc1 527a_100000210545_100000150264 [0,0,0,0,0,1|1,0,2]=4 2266 B17R1.16611 CC(C)CCNC(=O)NCCc1ccccc1 2708a_100000106460_100000210545 [0,0,0,0,0,1|1,0,2]=4 2267 B17R1.16611 CC(C)CCNC(=O)NCCc1ccccc1 2708a_100000210545_100000106460 [0,0,0,0,0,1|1,0,2]=4 2268 B17R1.16611 CC(C)CCNC(=O)NCCc1ccccc1 273464a_100000106460_100000210545 [0,0,0,0,0,1|1,0,2]=4 2269 B17R1.16611 CC(C)CCNC(=O)NCCc1ccccc1 273464a_100000210545_100000106460 [0,0,0,0,0,1|1,0,2]=4 2270 B17R1.16611 CC(C)CCNC(=O)NCCc1ccccc1 512a_100000106460_100000210545 [0,0,0,0,0,1|1,0,2]=4 2271 B17R1.16611 CC(C)CCNC(=O)NCCc1ccccc1 512a_100000210545_100000106460 [0,0,0,0,0,1|1,0,2]=4 2272 B17R1.16611 CC(C)CCNC(=O)NNCc1ccccc1 273464a_100000210545_100000007032 [0,0,0,0,0,1|2,0,1]=4 2273 B17R1.16611 CC(C)CCNC(=O)NNCc1ccccc1 512a_100000210545_100000007032 [0,0,0,0,0,1|2,0,1]=4 2274 B17R1.16611 CC(C)CNNC(=O)C/C=C/c1ccccc1 22a_100000696102_100011219626 [0,0,0,0,0,1|2,0,0]=3 2275 B17R1.16611 CC(C)CNNC(=O)C=CSc1ccccc1 22a_100000696102_100016262050 [0,0,0,0,0,1|2,0,0]=3 2276 B17R1.16611 CC(C)COCC(=O)C/C=C/c1ccccc1 1458a_100011223364_100016265936 [0,0,0,0,0,1|2,0,0]=3 2277 B17R1.16611 CC(C)OCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000211751 [0,0,0,0,0,1|2,0,0]=3 2278 B17R1.16611 CC(C)OCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000211751 [0,0,0,0,0,1|2,0,0]=3 2279 B17R1.16611 CC(C)SCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000730970 [0,0,0,0,0,1|2,0,0]=3 2280 B17R1.16611 CC(C)SCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000730970 [0,0,0,0,0,1|2,0,0]=3 2281 B17R1.16611 CC(O)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000718107 [0,0,0,0,0,1|2,0,0]=3 2282 B17R1.16611 CC(O)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_200000718107 [0,0,0,0,0,1|2,0,0]=3 2283 B17R1.16611 CC(O)CCNC(=O)C/C=C/c1ccccc1 240690a_200000755665_100011219626 [0,0,0,0,0,1|2,0,0]=3 2284 B17R1.16611 CC(O)CCNC(=O)C=CSc1ccccc1 240690a_200000755665_100016262050 [0,0,0,0,0,1|2,0,0]=3 2285 B17R1.16611 CC(O)CNNC(=O)C/C=C/c1ccccc1 22a_200000730056_100011219626 [0,0,0,0,0,1|3,0,0]=4 2286 B17R1.16611 CC(O)CNNC(=O)C=CSc1ccccc1 22a_200000730056_100016262050 [0,0,0,0,0,1|3,0,0]=4 2287 B17R1.16611 CN(C)CC=CC(=O)C/C=C/c1ccccc1 1458a_100000754359_100016265936 [0,0,0,0,0,1|2,0,1]=4 2288 B17R1.16611 CN(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000695564 [0,0,0,0,0,1|2,0,0]=3 2289 B17R1.16611 CN(C)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000695564 [0,0,0,0,0,1|2,0,0]=3 2290 B17R1.16611 CN(C)CCNC(=O)C/C=C/c1ccccc1 240690a_100000210585_100011219626 [0,0,0,0,0,1|2,0,0]=3 2291 B17R1.16611 CN(C)CCNC(=O)C=CSc1ccccc1 240690a_100000210585_100016262050 [0,0,0,0,0,1|2,0,0]=3 2292 B14R1.123 BrCCCOC/C=C/c1ccccc1 34a_100011217188_100016265936 [2,0,0,0,0,0|1,0,1]=4 2293 B14R1.123 CCCCCCC=Cc1ccccc1 271570a_200015348155_100000210277 [2,0,0,0,0,0|1,0,1]=4 2294 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100000102301_100016265936 [2,0,0,0,0,0|1,0,1]=4 2295 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210211 [2,0,0,0,0,0|1,0,1]=4 2296 B14R1.123 CCCCNC/C=C/c1ccccc1 34a_100020603302_100000210210 [2,0,0,0,0,0|1,0,1]=4 2297 B14R1.123 CCCCNC/C=C/c1ccccc1 7a_106832991798_100016265936 [2,0,0,0,0,0|1,0,1]=4 2298 B14R1.123 CCCCNCC=Cc1ccccc1 270004a_100000102301_100000210105 [2,0,0,0,0,0|1,0,1]=4 2299 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210227_100016265936 [2,0,0,0,0,0|0,0,1]=3 2300 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210256_100000210210 [2,0,0,0,0,0|0,0,1]=3 2301 B14R1.123 CCCCOC/C=C/c1ccccc1 7a_100000210227_100016265936 [2,0,0,0,0,0|0,0,1]=3 2302 B14R1.123 CCCCOC/C=C/c1cccnc1 34a_200102594124_100000210210 [2,0,0,0,0,0|1,0,1]=4 2303 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100000210211_100016265936 [2,0,0,0,0,0|0,1,1]=4 2304 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100016265936_100000210210 [2,0,0,0,0,0|0,1,1]=4 2305 B14R1.123 CCCNN=CC=Cc1ccccc1 4a_100000740057_100000210105 [2,0,0,0,0,0|2,0,0]=4 2306 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210237_100016265936 [2,0,0,0,0,0|1,0,1]=4 2307 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210256_100011201679 [2,0,0,0,0,0|1,0,1]=4 2308 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000210256_100000212216 [2,0,0,0,0,0|1,0,1]=4 2309 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000230434_100016265936 [2,0,0,0,0,0|1,0,1]=4 2310 B14R1.123 CSCCOC/C=C/c1ccccc1 7a_100000230434_100016265936 [2,0,0,0,0,0|1,0,1]=4 2311 B14R1.123 ClCCCOC/C=C/c1ccccc1 34a_100000230001_100016265936 [2,0,0,0,0,0|1,0,1]=4 2312 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000210256_100011934791 [2,0,0,0,0,0|1,0,1]=4 2313 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000759539_100016265936 [2,0,0,0,0,0|1,0,1]=4 2314 B14R1.123 NCCCOC/C=C/c1ccccc1 34a_100000182051_100016265936 [2,0,0,0,0,0|1,0,1]=4 2315 B14R1.123 OCCCOC/C=C/c1ccccc1 34a_100000210256_100000230001 [2,0,0,0,0,0|1,0,1]=4 2316 B14R1.156 C#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000753159 [2,0,0,0,0,0|0,0,2]=4 2317 B14R1.156 C/C=C/CC(=O)C=Cc1ccccc1 1458a_100000210462_100102629194 [2,0,0,0,0,0|0,0,2]=4 2318 B14R1.156 C=CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754431 [2,0,0,0,0,0|0,0,2]=4 2319 B14R1.156 CC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000748600 [2,0,0,0,0,0|0,0,2]=4 2320 B14R1.156 CC=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000070051 [2,0,0,0,0,0|0,0,2]=4 2321 B14R1.156 CCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210211 [2,0,0,0,0,0|0,0,2]=4 2322 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [2,0,0,0,0,0|0,0,0]=2 2323 B14R1.156 CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210211 [2,0,0,0,0,0|1,0,0]=3 2324 B14R1.156 CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210211 [2,0,0,0,0,0|1,0,0]=3 2325 B14R1.156 CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210211 [2,0,0,0,0,0|1,0,0]=3 2326 B14R1.156 CCCCC(=O)C=Cc1cncnc1 6a_100000749868_100000032102 [2,0,0,0,0,0|2,0,0]=4 2327 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [2,0,0,0,0,0|0,0,2]=4 2328 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [2,0,0,0,0,0|0,0,2]=4 2329 B14R1.156 CCCCC(=O)COc1ccccc1 1458a_100000186222_100000210211 [2,0,0,0,0,0|1,0,1]=4 2330 B14R1.156 CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210211 [2,0,0,0,0,0|1,0,1]=4 2331 B14R1.156 CCCCC(=O)NCc1ccccc1 11a_100015324214_100000210183 [2,0,0,0,0,0|1,0,1]=4 2332 B14R1.156 CCCCC(=O)NCc1ccccc1 1626a_100015324214_100000210183 [2,0,0,0,0,0|1,0,1]=4 2333 B14R1.156 CCCCC(=O)NCc1ccccc1 240690a_100015324214_100000210183 [2,0,0,0,0,0|1,0,1]=4 2334 B14R1.156 CCCCC(=O)NCc1ccccc1 527a_100015324214_100000210183 [2,0,0,0,0,0|1,0,1]=4 2335 B14R1.156 CCCCC(=O)NNc1ccccc1 22a_100015195140_100000210183 [2,0,0,0,0,0|2,0,0]=4 2336 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [2,0,0,0,0,0|1,0,0]=3 2337 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [2,0,0,0,0,0|1,0,0]=3 2338 B14R1.156 CCCNC(=O)C=Cc1ccccn1 11a_100020643023_100000740811 [2,0,0,0,0,0|2,0,0]=4 2339 B14R1.156 CCCNC(=O)C=Cc1ccccn1 240690a_100020643023_100000740811 [2,0,0,0,0,0|2,0,0]=4 2340 B14R1.156 CCCNC(=O)C=Cc1cccnc1 11a_100020643023_100000735890 [2,0,0,0,0,0|2,0,0]=4 2341 B14R1.156 CCCNC(=O)C=Cc1cccnc1 240690a_100020643023_100000735890 [2,0,0,0,0,0|2,0,0]=4 2342 B14R1.156 CCCNC(=O)C=Cc1ccncc1 240690a_100020643023_100000682801 [2,0,0,0,0,0|2,0,0]=4 2343 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [2,0,0,0,0,0|1,0,1]=4 2344 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [2,0,0,0,0,0|1,0,1]=4 2345 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [2,0,0,0,0,0|1,0,1]=4 2346 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [2,0,0,0,0,0|1,0,1]=4 2347 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [2,0,0,0,0,0|1,0,1]=4 2348 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [2,0,0,0,0,0|2,0,0]=4 2349 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [2,0,0,0,0,0|1,0,0]=3 2350 B14R1.156 COCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000233755 [2,0,0,0,0,0|2,0,0]=4 2351 B14R1.156 COCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000233755 [2,0,0,0,0,0|2,0,0]=4 2352 B14R1.156 COCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000233755 [2,0,0,0,0,0|2,0,0]=4 2353 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [2,0,0,0,0,0|1,0,0]=3 2354 B14R1.156 CSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000751147 [2,0,0,0,0,0|2,0,0]=4 2355 B14R1.156 CSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000751147 [2,0,0,0,0,0|2,0,0]=4 2356 B14R1.156 CSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000751147 [2,0,0,0,0,0|2,0,0]=4 2357 B14R1.156 N#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215226 [2,0,0,0,0,0|1,0,1]=4 2358 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [2,0,0,0,0,0|1,0,0]=3 2359 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [2,0,0,0,0,0|1,0,0]=3 2360 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [2,0,0,0,0,0|2,0,0]=4 2361 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [2,0,0,0,0,0|2,0,0]=4 2362 B14R1.156 O=C(C=Cc1ccccn1)CCCF 1458a_100000740811_100011934791 [2,0,0,0,0,0|2,0,0]=4 2363 B14R1.156 O=C(C=Cc1ccccn1)CCCO 1458a_100000740811_100011215043 [2,0,0,0,0,0|2,0,0]=4 2364 B14R1.156 O=C(C=Cc1cccnc1)CCCF 1458a_100000735890_100011934791 [2,0,0,0,0,0|2,0,0]=4 2365 B14R1.156 O=C(C=Cc1cccnc1)CCCO 1458a_100000735890_100011215043 [2,0,0,0,0,0|2,0,0]=4 2366 B14R1.156 O=C(C=Cc1ccncc1)CCCF 1458a_100000682801_100011934791 [2,0,0,0,0,0|2,0,0]=4 2367 B14R1.156 O=C(C=Cc1ccncc1)CCCO 1458a_100000682801_100011215043 [2,0,0,0,0,0|2,0,0]=4 2368 B16R1.35 CC(=CC(=O)CCCCF)c1ccccc1 1458a_100000743005_100000729493 [1,1,0,0,0,0|2,0,0]=4 2369 B16R1.35 CC(=CC(=O)CCCCO)c1ccccc1 1458a_100000743005_100000210776 [1,1,0,0,0,0|2,0,0]=4 2370 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 11a_100015189416_100000743005 [1,1,0,0,0,0|2,0,0]=4 2371 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 1626a_100015189416_100000743005 [1,1,0,0,0,0|2,0,0]=4 2372 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 240690a_100015189416_100000743005 [1,1,0,0,0,0|2,0,0]=4 2373 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 527a_100015189416_100000743005 [1,1,0,0,0,0|2,0,0]=4 2374 B16R1.35 CC(=CC(=O)NCCCO)c1ccccc1 240690a_100000182051_100000743005 [1,1,0,0,0,0|2,0,0]=4 2375 B16R1.35 CC(=CC(=O)NCCCO)c1ccccc1 527a_100000182051_100000743005 [1,1,0,0,0,0|2,0,0]=4 2376 B16R1.35 CCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210326 [1,1,0,0,0,0|1,0,0]=3 2377 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_200012276598 [1,1,0,0,0,0|1,0,1]=4 2378 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 1458a_100000212188_100000211460 [1,1,0,0,0,0|1,0,1]=4 2379 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 11a_100000102301_100000743005 [1,1,0,0,0,0|1,0,0]=3 2380 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 1626a_100000102301_100000743005 [1,1,0,0,0,0|1,0,0]=3 2381 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 240690a_100000102301_100000743005 [1,1,0,0,0,0|1,0,0]=3 2382 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 527a_100000102301_100000743005 [1,1,0,0,0,0|1,0,0]=3 2383 B16R1.35 CCCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182744 [1,1,0,0,0,0|1,0,1]=4 2384 B16R1.35 CCCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000211628 [1,1,0,0,0,0|0,0,1]=3 2385 B16R1.35 CCCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000211628 [1,1,0,0,0,0|1,0,1]=4 2386 B16R1.35 CCCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000211628 [1,1,0,0,0,0|1,0,1]=4 2387 B16R1.35 CCCCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000211628 [1,1,0,0,0,0|1,0,1]=4 2388 B16R1.35 CCCNNC(=O)C=C(C)c1ccccc1 22a_100000740057_100000743005 [1,1,0,0,0,0|2,0,0]=4 2389 B16R1.35 CCOCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011215890 [1,1,0,0,0,0|2,0,0]=4 2390 B16R1.35 CCSCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000757381 [1,1,0,0,0,0|2,0,0]=4 2391 B16R1.35 COCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000740836 [1,1,0,0,0,0|2,0,0]=4 2392 B16R1.35 COCCNC(=O)C=C(C)c1ccccc1 1626a_100000209980_100000743005 [1,1,0,0,0,0|2,0,0]=4 2393 B16R1.35 COCCNC(=O)C=C(C)c1ccccc1 240690a_100000209980_100000743005 [1,1,0,0,0,0|2,0,0]=4 2394 B16R1.35 COCCNC(=O)C=C(C)c1ccccc1 527a_100000209980_100000743005 [1,1,0,0,0,0|2,0,0]=4 2395 B16R1.35 COCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200000040189 [1,1,0,0,0,0|1,0,1]=4 2396 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 11a_100020590264_100000743005 [1,1,0,0,0,0|2,0,0]=4 2397 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 1626a_100020590264_100000743005 [1,1,0,0,0,0|2,0,0]=4 2398 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 240690a_100020590264_100000743005 [1,1,0,0,0,0|2,0,0]=4 2399 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 527a_100020590264_100000743005 [1,1,0,0,0,0|2,0,0]=4 2400 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210326 [1,1,0,0,0,0|1,0,0]=3 2401 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215151 [1,1,0,0,0,0|1,0,0]=3 2402 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210326 [1,1,0,0,0,0|1,0,0]=3 2403 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210326 [1,1,0,0,0,0|1,0,0]=3 2404 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210326 [1,1,0,0,0,0|1,0,0]=3 2405 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215151 [1,1,0,0,0,0|1,0,0]=3 2406 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210326 [1,1,0,0,0,0|1,0,0]=3 2407 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215151 [1,1,0,0,0,0|1,0,0]=3 2408 B16R1.51 CCCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011215151 [1,1,0,0,0,0|2,0,0]=4 2409 B16R1.51 CCCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210326 [1,1,0,0,0,0|2,0,0]=4 2410 B16R1.51 CCCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011215151 [1,1,0,0,0,0|2,0,0]=4 2411 B16R1.51 CCCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210326 [1,1,0,0,0,0|2,0,0]=4 2412 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000102301_100016267368 [1,1,0,0,0,0|1,0,0]=3 2413 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000102301_100016267368 [1,1,0,0,0,0|1,0,0]=3 2414 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 11a_100000102301_100000716854 [1,1,0,0,0,0|1,0,0]=3 2415 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000102301_100000716854 [1,1,0,0,0,0|1,0,0]=3 2416 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000102301_100000716854 [1,1,0,0,0,0|1,0,0]=3 2417 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000102301_100000184863 [1,1,0,0,0,0|1,0,0]=3 2418 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000102301_100000184863 [1,1,0,0,0,0|1,0,0]=3 2419 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000102301_100000184863 [1,1,0,0,0,0|1,0,0]=3 2420 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 11a_100000102301_100000182136 [1,1,0,0,0,0|1,0,0]=3 2421 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000102301_100000182136 [1,1,0,0,0,0|1,0,0]=3 2422 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000102301_100000182136 [1,1,0,0,0,0|1,0,0]=3 2423 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 11a_100000102301_100102526154 [1,1,0,0,0,0|1,0,0]=3 2424 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000102301_100102526154 [1,1,0,0,0,0|1,0,0]=3 2425 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000102301_100102526154 [1,1,0,0,0,0|1,0,0]=3 2426 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000102301_100016269017 [1,1,0,0,0,0|1,0,0]=3 2427 B16R1.51 CCCCNC(=O)C=Cc1ccc(cn1)F 11a_100000102301_100020630499 [1,1,0,0,0,0|2,0,0]=4 2428 B16R1.51 CCCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000102301_100020630499 [1,1,0,0,0,0|2,0,0]=4 2429 B16R1.51 CCCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000102301_100020630499 [1,1,0,0,0,0|2,0,0]=4 2430 B16R1.51 CCCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000102301_100020588214 [1,1,0,0,0,0|2,0,0]=4 2431 B16R1.51 CCCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000102301_100020588214 [1,1,0,0,0,0|2,0,0]=4 2432 B16R1.51 CCCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000102301_100020588214 [1,1,0,0,0,0|2,0,0]=4 2433 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000211628 [1,1,0,0,0,0|1,0,1]=4 2434 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000211628 [1,1,0,0,0,0|1,0,1]=4 2435 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)C 34a_100000124888_100000211628 [1,1,0,0,0,0|1,0,1]=4 2436 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000211628 [1,1,0,0,0,0|1,0,1]=4 2437 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000211628 [1,1,0,0,0,0|1,0,1]=4 2438 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)F 34a_100000185862_100000211628 [1,1,0,0,0,0|1,0,1]=4 2439 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)I 34a_100000185761_100000211628 [1,1,0,0,0,0|1,0,1]=4 2440 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)O 34a_100000185829_100000211628 [1,1,0,0,0,0|1,0,1]=4 2441 B16R1.51 CCCCOC(=O)COc1ccc(cc1)Br 34a_100000185759_100000211628 [1,1,0,0,0,0|1,0,1]=4 2442 B16R1.51 CCCCOC(=O)COc1ccc(cc1)Br 7a_100000185759_100000211628 [1,1,0,0,0,0|1,0,1]=4 2443 B16R1.51 CCCCOC(=O)COc1ccc(cc1)C 34a_100000210336_100000211628 [1,1,0,0,0,0|1,0,1]=4 2444 B16R1.51 CCCCOC(=O)COc1ccc(cc1)C 7a_100000210336_100000211628 [1,1,0,0,0,0|1,0,1]=4 2445 B16R1.51 CCCCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000211628 [1,1,0,0,0,0|1,0,1]=4 2446 B16R1.51 CCCCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000211628 [1,1,0,0,0,0|1,0,1]=4 2447 B16R1.51 CCCCOC(=O)COc1ccc(cc1)F 34a_100000210339_100000211628 [1,1,0,0,0,0|1,0,1]=4 2448 B16R1.51 CCCCOC(=O)COc1ccc(cc1)I 34a_100000212066_100000211628 [1,1,0,0,0,0|1,0,1]=4 2449 B16R1.51 CCCCOC(=O)COc1ccc(cc1)I 7a_100000212066_100000211628 [1,1,0,0,0,0|1,0,1]=4 2450 B16R1.51 CCCCOC(=O)COc1ccc(cc1)N 34a_100000185829_100000211628 [1,1,0,0,0,0|1,0,1]=4 2451 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)Br 62a_100000211628_100000752885 [1,1,0,0,0,0|1,0,1]=4 2452 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000211628 [1,1,0,0,0,0|1,0,1]=4 2453 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)C 62a_100000186775_100000211628 [1,1,0,0,0,0|1,0,1]=4 2454 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)C 62a_100000211628_100000186775 [1,1,0,0,0,0|1,0,1]=4 2455 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)Cl 62a_100000211628_100000755918 [1,1,0,0,0,0|1,0,1]=4 2456 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000211628 [1,1,0,0,0,0|1,0,1]=4 2457 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)F 62a_100000211213_100000211628 [1,1,0,0,0,0|1,0,1]=4 2458 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)F 62a_100000211628_100000211213 [1,1,0,0,0,0|1,0,1]=4 2459 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)N 62a_100000185761_100000211628 [1,1,0,0,0,0|1,0,1]=4 2460 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)N 62a_100000211628_100000185761 [1,1,0,0,0,0|1,0,1]=4 2461 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)O 62a_100000211628_100000185759 [1,1,0,0,0,0|1,0,1]=4 2462 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)Br 22a_100000740057_100016267368 [1,1,0,0,0,0|2,0,0]=4 2463 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)C 22a_100000740057_100000716854 [1,1,0,0,0,0|2,0,0]=4 2464 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000740057_100000184863 [1,1,0,0,0,0|2,0,0]=4 2465 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)F 22a_100000740057_100000182136 [1,1,0,0,0,0|2,0,0]=4 2466 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)I 22a_100000740057_100102526154 [1,1,0,0,0,0|2,0,0]=4 2467 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)O 22a_100000740057_100016269017 [1,1,0,0,0,0|2,0,0]=4 2468 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100010632825 [1,1,0,0,0,0|2,0,0]=4 2469 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100010632825 [1,1,0,0,0,0|2,0,0]=4 2470 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100010632825 [1,1,0,0,0,0|2,0,0]=4 2471 B16R1.51 CCCSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011343953 [1,1,0,0,0,0|2,0,0]=4 2472 B16R1.51 CCCSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011343953 [1,1,0,0,0,0|2,0,0]=4 2473 B16R1.51 CCCSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011343953 [1,1,0,0,0,0|2,0,0]=4 2474 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215890 [1,1,0,0,0,0|2,0,0]=4 2475 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011216536 [1,1,0,0,0,0|2,0,0]=4 2476 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011215890 [1,1,0,0,0,0|2,0,0]=4 2477 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215890 [1,1,0,0,0,0|2,0,0]=4 2478 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215890 [1,1,0,0,0,0|2,0,0]=4 2479 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011216536 [1,1,0,0,0,0|2,0,0]=4 2480 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215890 [1,1,0,0,0,0|2,0,0]=4 2481 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011216536 [1,1,0,0,0,0|2,0,0]=4 2482 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000757381 [1,1,0,0,0,0|2,0,0]=4 2483 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000757381 [1,1,0,0,0,0|2,0,0]=4 2484 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000757381 [1,1,0,0,0,0|2,0,0]=4 2485 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000757381 [1,1,0,0,0,0|2,0,0]=4 2486 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000757381 [1,1,0,0,0,0|2,0,0]=4 2487 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000740836 [1,1,0,0,0,0|2,0,0]=4 2488 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000740836 [1,1,0,0,0,0|2,0,0]=4 2489 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000740836 [1,1,0,0,0,0|2,0,0]=4 2490 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000740836 [1,1,0,0,0,0|2,0,0]=4 2491 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000740836 [1,1,0,0,0,0|2,0,0]=4 2492 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000209980_100016267368 [1,1,0,0,0,0|2,0,0]=4 2493 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000209980_100000716854 [1,1,0,0,0,0|2,0,0]=4 2494 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000209980_100000716854 [1,1,0,0,0,0|2,0,0]=4 2495 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000209980_100000184863 [1,1,0,0,0,0|2,0,0]=4 2496 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000209980_100000184863 [1,1,0,0,0,0|2,0,0]=4 2497 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000209980_100000182136 [1,1,0,0,0,0|2,0,0]=4 2498 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000209980_100000182136 [1,1,0,0,0,0|2,0,0]=4 2499 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000209980_100102526154 [1,1,0,0,0,0|2,0,0]=4 2500 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000209980_100102526154 [1,1,0,0,0,0|2,0,0]=4 2501 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000209980_100016269017 [1,1,0,0,0,0|2,0,0]=4 2502 B16R1.51 CSCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011399439 [1,1,0,0,0,0|2,0,0]=4 2503 B16R1.51 CSCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011399439 [1,1,0,0,0,0|2,0,0]=4 2504 B16R1.51 CSCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011399439 [1,1,0,0,0,0|2,0,0]=4 2505 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br 11a_100020590264_100016267368 [1,1,0,0,0,0|2,0,0]=4 2506 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020590264_100016267368 [1,1,0,0,0,0|2,0,0]=4 2507 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C 11a_100020590264_100000716854 [1,1,0,0,0,0|2,0,0]=4 2508 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C 1626a_100020590264_100000716854 [1,1,0,0,0,0|2,0,0]=4 2509 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C 240690a_100020590264_100000716854 [1,1,0,0,0,0|2,0,0]=4 2510 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100020590264_100000184863 [1,1,0,0,0,0|2,0,0]=4 2511 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020590264_100000184863 [1,1,0,0,0,0|2,0,0]=4 2512 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020590264_100000184863 [1,1,0,0,0,0|2,0,0]=4 2513 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F 11a_100020590264_100000182136 [1,1,0,0,0,0|2,0,0]=4 2514 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F 1626a_100020590264_100000182136 [1,1,0,0,0,0|2,0,0]=4 2515 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F 240690a_100020590264_100000182136 [1,1,0,0,0,0|2,0,0]=4 2516 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)I 11a_100020590264_100102526154 [1,1,0,0,0,0|2,0,0]=4 2517 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)I 1626a_100020590264_100102526154 [1,1,0,0,0,0|2,0,0]=4 2518 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)I 240690a_100020590264_100102526154 [1,1,0,0,0,0|2,0,0]=4 2519 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)O 240690a_100020590264_100016269017 [1,1,0,0,0,0|2,0,0]=4 2520 B16R1.51 Cc1ccc(cc1)C=CC(=O)CCCCF 1458a_100000716854_100000729493 [1,1,0,0,0,0|2,0,0]=4 2521 B16R1.51 Cc1ccc(cc1)C=CC(=O)CCCCO 1458a_100000716854_100000210776 [1,1,0,0,0,0|2,0,0]=4 2522 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCF 11a_100015189416_100000716854 [1,1,0,0,0,0|2,0,0]=4 2523 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCF 1626a_100015189416_100000716854 [1,1,0,0,0,0|2,0,0]=4 2524 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCF 240690a_100015189416_100000716854 [1,1,0,0,0,0|2,0,0]=4 2525 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCO 240690a_100000182051_100000716854 [1,1,0,0,0,0|2,0,0]=4 2526 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCBr 6a_100000186029_100009817362 [1,1,0,0,0,0|2,0,0]=4 2527 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCCl 6a_100000186029_100000735457 [1,1,0,0,0,0|2,0,0]=4 2528 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCF 1458a_100016267368_100000729493 [1,1,0,0,0,0|2,0,0]=4 2529 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCO 1458a_100016267368_100000210776 [1,1,0,0,0,0|2,0,0]=4 2530 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCF 11a_100015189416_100016267368 [1,1,0,0,0,0|2,0,0]=4 2531 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCF 1626a_100015189416_100016267368 [1,1,0,0,0,0|2,0,0]=4 2532 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)CCCCF 1458a_100000184863_100000729493 [1,1,0,0,0,0|2,0,0]=4 2533 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)CCCCO 1458a_100000184863_100000210776 [1,1,0,0,0,0|2,0,0]=4 2534 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCF 11a_100015189416_100000184863 [1,1,0,0,0,0|2,0,0]=4 2535 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCF 1626a_100015189416_100000184863 [1,1,0,0,0,0|2,0,0]=4 2536 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCF 240690a_100015189416_100000184863 [1,1,0,0,0,0|2,0,0]=4 2537 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCO 240690a_100000182051_100000184863 [1,1,0,0,0,0|2,0,0]=4 2538 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCBr 6a_100000210084_100009817362 [1,1,0,0,0,0|2,0,0]=4 2539 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCCl 6a_100000210084_100000735457 [1,1,0,0,0,0|2,0,0]=4 2540 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCF 1458a_100000182136_100000729493 [1,1,0,0,0,0|2,0,0]=4 2541 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCO 1458a_100000182136_100000210776 [1,1,0,0,0,0|2,0,0]=4 2542 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCF 11a_100015189416_100000182136 [1,1,0,0,0,0|2,0,0]=4 2543 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCF 1626a_100015189416_100000182136 [1,1,0,0,0,0|2,0,0]=4 2544 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCF 240690a_100015189416_100000182136 [1,1,0,0,0,0|2,0,0]=4 2545 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCO 240690a_100000182051_100000182136 [1,1,0,0,0,0|2,0,0]=4 2546 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCBr 6a_100000188517_100009817362 [1,1,0,0,0,0|2,0,0]=4 2547 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCCl 6a_100000188517_100000735457 [1,1,0,0,0,0|2,0,0]=4 2548 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCF 1458a_100102526154_100000729493 [1,1,0,0,0,0|2,0,0]=4 2549 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCO 1458a_100102526154_100000210776 [1,1,0,0,0,0|2,0,0]=4 2550 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCF 11a_100015189416_100102526154 [1,1,0,0,0,0|2,0,0]=4 2551 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCF 1626a_100015189416_100102526154 [1,1,0,0,0,0|2,0,0]=4 2552 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCF 240690a_100015189416_100102526154 [1,1,0,0,0,0|2,0,0]=4 2553 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCO 240690a_100000182051_100102526154 [1,1,0,0,0,0|2,0,0]=4 2554 B16R1.51 O=C(C=Cc1ccc(cc1)O)NCCCF 240690a_100015189416_100016269017 [1,1,0,0,0,0|2,0,0]=4 2555 B16R1.51 O=C(C=Cc1ccc(cc1)O)NCCCO 240690a_100000182051_100016269017 [1,1,0,0,0,0|2,0,0]=4 2556 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210326 [1,1,0,0,0,0|1,0,0]=3 2557 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215151 [1,1,0,0,0,0|1,0,0]=3 2558 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210326 [1,1,0,0,0,0|1,0,0]=3 2559 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210326 [1,1,0,0,0,0|1,0,0]=3 2560 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210326 [1,1,0,0,0,0|1,0,0]=3 2561 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215151 [1,1,0,0,0,0|1,0,0]=3 2562 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210326 [1,1,0,0,0,0|1,0,0]=3 2563 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215151 [1,1,0,0,0,0|1,0,0]=3 2564 B16R1.52 CCCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011215151 [1,1,0,0,0,0|2,0,0]=4 2565 B16R1.52 CCCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011215151 [1,1,0,0,0,0|2,0,0]=4 2566 B16R1.52 CCCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011215151 [1,1,0,0,0,0|2,0,0]=4 2567 B16R1.52 CCCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011215151 [1,1,0,0,0,0|2,0,0]=4 2568 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 11a_100000102301_100016258244 [1,1,0,0,0,0|1,0,0]=3 2569 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000102301_100016258244 [1,1,0,0,0,0|1,0,0]=3 2570 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000102301_100016258244 [1,1,0,0,0,0|1,0,0]=3 2571 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 11a_100000102301_100000690095 [1,1,0,0,0,0|1,0,0]=3 2572 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 1626a_100000102301_100000690095 [1,1,0,0,0,0|1,0,0]=3 2573 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 240690a_100000102301_100000690095 [1,1,0,0,0,0|1,0,0]=3 2574 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000102301_100000184502 [1,1,0,0,0,0|1,0,0]=3 2575 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000102301_100000184502 [1,1,0,0,0,0|1,0,0]=3 2576 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000102301_100000184502 [1,1,0,0,0,0|1,0,0]=3 2577 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 11a_100000102301_100000718793 [1,1,0,0,0,0|1,0,0]=3 2578 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 1626a_100000102301_100000718793 [1,1,0,0,0,0|1,0,0]=3 2579 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 240690a_100000102301_100000718793 [1,1,0,0,0,0|1,0,0]=3 2580 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 11a_100000102301_100020647043 [1,1,0,0,0,0|1,0,0]=3 2581 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 1626a_100000102301_100020647043 [1,1,0,0,0,0|1,0,0]=3 2582 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 240690a_100000102301_100020647043 [1,1,0,0,0,0|1,0,0]=3 2583 B16R1.52 CCCCOC(=O)CNc1cccc(c1)Br 34a_100000210019_100000211628 [1,1,0,0,0,0|1,0,1]=4 2584 B16R1.52 CCCCOC(=O)CNc1cccc(c1)C 2230a_100000188690_100000211628 [1,1,0,0,0,0|1,0,1]=4 2585 B16R1.52 CCCCOC(=O)CNc1cccc(c1)C 34a_100000188690_100000211628 [1,1,0,0,0,0|1,0,1]=4 2586 B16R1.52 CCCCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000211628 [1,1,0,0,0,0|1,0,1]=4 2587 B16R1.52 CCCCOC(=O)CNc1cccc(c1)F 34a_100000210047_100000211628 [1,1,0,0,0,0|1,0,1]=4 2588 B16R1.52 CCCCOC(=O)CNc1cccc(c1)I 34a_100000211102_100000211628 [1,1,0,0,0,0|1,0,1]=4 2589 B16R1.52 CCCCOC(=O)CNc1cccc(c1)O 34a_100000210217_100000211628 [1,1,0,0,0,0|1,0,1]=4 2590 B16R1.52 CCCCOC(=O)COc1cccc(c1)Br 34a_100000210342_100000211628 [1,1,0,0,0,0|1,0,1]=4 2591 B16R1.52 CCCCOC(=O)COc1cccc(c1)Br 7a_100000210342_100000211628 [1,1,0,0,0,0|1,0,1]=4 2592 B16R1.52 CCCCOC(=O)COc1cccc(c1)C 34a_100000210337_100000211628 [1,1,0,0,0,0|1,0,1]=4 2593 B16R1.52 CCCCOC(=O)COc1cccc(c1)C 7a_100000210337_100000211628 [1,1,0,0,0,0|1,0,1]=4 2594 B16R1.52 CCCCOC(=O)COc1cccc(c1)Cl 34a_100000210295_100000211628 [1,1,0,0,0,0|1,0,1]=4 2595 B16R1.52 CCCCOC(=O)COc1cccc(c1)Cl 7a_100000210295_100000211628 [1,1,0,0,0,0|1,0,1]=4 2596 B16R1.52 CCCCOC(=O)COc1cccc(c1)F 34a_100000210426_100000211628 [1,1,0,0,0,0|1,0,1]=4 2597 B16R1.52 CCCCOC(=O)COc1cccc(c1)F 7a_100000210426_100000211628 [1,1,0,0,0,0|1,0,1]=4 2598 B16R1.52 CCCCOC(=O)COc1cccc(c1)I 34a_100000211634_100000211628 [1,1,0,0,0,0|1,0,1]=4 2599 B16R1.52 CCCCOC(=O)COc1cccc(c1)I 7a_100000211634_100000211628 [1,1,0,0,0,0|1,0,1]=4 2600 B16R1.52 CCCCOC(=O)COc1cccc(c1)N 34a_100000210217_100000211628 [1,1,0,0,0,0|1,0,1]=4 2601 B16R1.52 CCCCOC(=O)CSc1cccc(c1)Br 62a_100000211628_100000691529 [1,1,0,0,0,0|1,0,1]=4 2602 B16R1.52 CCCCOC(=O)CSc1cccc(c1)Br 62a_100000691529_100000211628 [1,1,0,0,0,0|1,0,1]=4 2603 B16R1.52 CCCCOC(=O)CSc1cccc(c1)C 62a_100000211628_100011215228 [1,1,0,0,0,0|1,0,1]=4 2604 B16R1.52 CCCCOC(=O)CSc1cccc(c1)C 62a_100011215228_100000211628 [1,1,0,0,0,0|1,0,1]=4 2605 B16R1.52 CCCCOC(=O)CSc1cccc(c1)Cl 62a_100000211628_100000699651 [1,1,0,0,0,0|1,0,1]=4 2606 B16R1.52 CCCCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000211628 [1,1,0,0,0,0|1,0,1]=4 2607 B16R1.52 CCCCOC(=O)CSc1cccc(c1)F 62a_100000211628_100000685547 [1,1,0,0,0,0|1,0,1]=4 2608 B16R1.52 CCCCOC(=O)CSc1cccc(c1)F 62a_100000685547_100000211628 [1,1,0,0,0,0|1,0,1]=4 2609 B16R1.52 CCCCOC(=O)CSc1cccc(c1)N 62a_100000210019_100000211628 [1,1,0,0,0,0|1,0,1]=4 2610 B16R1.52 CCCCOC(=O)CSc1cccc(c1)N 62a_100000211628_100000210019 [1,1,0,0,0,0|1,0,1]=4 2611 B16R1.52 CCCCOC(=O)CSc1cccc(c1)O 62a_100000211628_100000211634 [1,1,0,0,0,0|1,0,1]=4 2612 B16R1.52 CCCCOC(=O)CSc1cccc(c1)[S] 62a_100000211628_114929384022 [1,1,0,0,0,0|1,0,1]=4 2613 B16R1.52 CCCCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000211628 [1,1,0,0,0,0|1,0,1]=4 2614 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)Br 22a_100000740057_100016258244 [1,1,0,0,0,0|2,0,0]=4 2615 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)C 22a_100000740057_100000690095 [1,1,0,0,0,0|2,0,0]=4 2616 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)Cl 22a_100000740057_100000184502 [1,1,0,0,0,0|2,0,0]=4 2617 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)F 22a_100000740057_100000718793 [1,1,0,0,0,0|2,0,0]=4 2618 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)I 22a_100000740057_100020647043 [1,1,0,0,0,0|2,0,0]=4 2619 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)O 22a_100000740057_100102525460 [1,1,0,0,0,0|2,0,0]=4 2620 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100010632825 [1,1,0,0,0,0|2,0,0]=4 2621 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100010632825 [1,1,0,0,0,0|2,0,0]=4 2622 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100010632825 [1,1,0,0,0,0|2,0,0]=4 2623 B16R1.52 CCCSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011343953 [1,1,0,0,0,0|2,0,0]=4 2624 B16R1.52 CCCSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011343953 [1,1,0,0,0,0|2,0,0]=4 2625 B16R1.52 CCCSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011343953 [1,1,0,0,0,0|2,0,0]=4 2626 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215890 [1,1,0,0,0,0|2,0,0]=4 2627 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011216536 [1,1,0,0,0,0|2,0,0]=4 2628 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011215890 [1,1,0,0,0,0|2,0,0]=4 2629 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215890 [1,1,0,0,0,0|2,0,0]=4 2630 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215890 [1,1,0,0,0,0|2,0,0]=4 2631 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011216536 [1,1,0,0,0,0|2,0,0]=4 2632 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215890 [1,1,0,0,0,0|2,0,0]=4 2633 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011216536 [1,1,0,0,0,0|2,0,0]=4 2634 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000757381 [1,1,0,0,0,0|2,0,0]=4 2635 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000757381 [1,1,0,0,0,0|2,0,0]=4 2636 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000757381 [1,1,0,0,0,0|2,0,0]=4 2637 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000757381 [1,1,0,0,0,0|2,0,0]=4 2638 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000757381 [1,1,0,0,0,0|2,0,0]=4 2639 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000740836 [1,1,0,0,0,0|2,0,0]=4 2640 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000740836 [1,1,0,0,0,0|2,0,0]=4 2641 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000740836 [1,1,0,0,0,0|2,0,0]=4 2642 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000740836 [1,1,0,0,0,0|2,0,0]=4 2643 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000740836 [1,1,0,0,0,0|2,0,0]=4 2644 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000209980_100016258244 [1,1,0,0,0,0|2,0,0]=4 2645 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000209980_100016258244 [1,1,0,0,0,0|2,0,0]=4 2646 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)C 1626a_100000209980_100000690095 [1,1,0,0,0,0|2,0,0]=4 2647 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)C 240690a_100000209980_100000690095 [1,1,0,0,0,0|2,0,0]=4 2648 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000209980_100000184502 [1,1,0,0,0,0|2,0,0]=4 2649 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000209980_100000184502 [1,1,0,0,0,0|2,0,0]=4 2650 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)F 1626a_100000209980_100000718793 [1,1,0,0,0,0|2,0,0]=4 2651 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)F 240690a_100000209980_100000718793 [1,1,0,0,0,0|2,0,0]=4 2652 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)I 1626a_100000209980_100020647043 [1,1,0,0,0,0|2,0,0]=4 2653 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)I 240690a_100000209980_100020647043 [1,1,0,0,0,0|2,0,0]=4 2654 B16R1.52 CSCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011399439 [1,1,0,0,0,0|2,0,0]=4 2655 B16R1.52 CSCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011399439 [1,1,0,0,0,0|2,0,0]=4 2656 B16R1.52 CSCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011399439 [1,1,0,0,0,0|2,0,0]=4 2657 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Br 11a_100020590264_100016258244 [1,1,0,0,0,0|2,0,0]=4 2658 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Br 1626a_100020590264_100016258244 [1,1,0,0,0,0|2,0,0]=4 2659 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Br 240690a_100020590264_100016258244 [1,1,0,0,0,0|2,0,0]=4 2660 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)C 11a_100020590264_100000690095 [1,1,0,0,0,0|2,0,0]=4 2661 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)C 1626a_100020590264_100000690095 [1,1,0,0,0,0|2,0,0]=4 2662 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)C 240690a_100020590264_100000690095 [1,1,0,0,0,0|2,0,0]=4 2663 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl 11a_100020590264_100000184502 [1,1,0,0,0,0|2,0,0]=4 2664 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020590264_100000184502 [1,1,0,0,0,0|2,0,0]=4 2665 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020590264_100000184502 [1,1,0,0,0,0|2,0,0]=4 2666 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)F 11a_100020590264_100000718793 [1,1,0,0,0,0|2,0,0]=4 2667 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)F 1626a_100020590264_100000718793 [1,1,0,0,0,0|2,0,0]=4 2668 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)F 240690a_100020590264_100000718793 [1,1,0,0,0,0|2,0,0]=4 2669 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)I 11a_100020590264_100020647043 [1,1,0,0,0,0|2,0,0]=4 2670 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)I 1626a_100020590264_100020647043 [1,1,0,0,0,0|2,0,0]=4 2671 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)I 240690a_100020590264_100020647043 [1,1,0,0,0,0|2,0,0]=4 2672 B16R1.52 Cc1cccc(c1)C=CC(=O)CCCCF 1458a_100000690095_100000729493 [1,1,0,0,0,0|2,0,0]=4 2673 B16R1.52 Cc1cccc(c1)C=CC(=O)CCCCO 1458a_100000690095_100000210776 [1,1,0,0,0,0|2,0,0]=4 2674 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCF 11a_100015189416_100000690095 [1,1,0,0,0,0|2,0,0]=4 2675 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCF 1626a_100015189416_100000690095 [1,1,0,0,0,0|2,0,0]=4 2676 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCF 240690a_100015189416_100000690095 [1,1,0,0,0,0|2,0,0]=4 2677 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCO 240690a_100000182051_100000690095 [1,1,0,0,0,0|2,0,0]=4 2678 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCBr 6a_100000210085_100009817362 [1,1,0,0,0,0|2,0,0]=4 2679 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCCl 6a_100000210085_100000735457 [1,1,0,0,0,0|2,0,0]=4 2680 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCF 1458a_100016258244_100000729493 [1,1,0,0,0,0|2,0,0]=4 2681 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCO 1458a_100016258244_100000210776 [1,1,0,0,0,0|2,0,0]=4 2682 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCF 11a_100015189416_100016258244 [1,1,0,0,0,0|2,0,0]=4 2683 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCF 1626a_100015189416_100016258244 [1,1,0,0,0,0|2,0,0]=4 2684 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCF 240690a_100015189416_100016258244 [1,1,0,0,0,0|2,0,0]=4 2685 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCO 240690a_100000182051_100016258244 [1,1,0,0,0,0|2,0,0]=4 2686 B16R1.52 O=C(C=Cc1cccc(c1)Cl)CCCCF 1458a_100000184502_100000729493 [1,1,0,0,0,0|2,0,0]=4 2687 B16R1.52 O=C(C=Cc1cccc(c1)Cl)CCCCO 1458a_100000184502_100000210776 [1,1,0,0,0,0|2,0,0]=4 2688 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCF 11a_100015189416_100000184502 [1,1,0,0,0,0|2,0,0]=4 2689 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCF 1626a_100015189416_100000184502 [1,1,0,0,0,0|2,0,0]=4 2690 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCF 240690a_100015189416_100000184502 [1,1,0,0,0,0|2,0,0]=4 2691 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCO 240690a_100000182051_100000184502 [1,1,0,0,0,0|2,0,0]=4 2692 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCBr 6a_100000210812_100009817362 [1,1,0,0,0,0|2,0,0]=4 2693 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCCl 6a_100000210812_100000735457 [1,1,0,0,0,0|2,0,0]=4 2694 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCF 1458a_100000718793_100000729493 [1,1,0,0,0,0|2,0,0]=4 2695 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCO 1458a_100000718793_100000210776 [1,1,0,0,0,0|2,0,0]=4 2696 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCF 11a_100015189416_100000718793 [1,1,0,0,0,0|2,0,0]=4 2697 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCF 1626a_100015189416_100000718793 [1,1,0,0,0,0|2,0,0]=4 2698 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCF 240690a_100015189416_100000718793 [1,1,0,0,0,0|2,0,0]=4 2699 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCO 240690a_100000182051_100000718793 [1,1,0,0,0,0|2,0,0]=4 2700 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCBr 6a_100000014684_100009817362 [1,1,0,0,0,0|2,0,0]=4 2701 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCCl 6a_100000014684_100000735457 [1,1,0,0,0,0|2,0,0]=4 2702 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCF 1458a_100020647043_100000729493 [1,1,0,0,0,0|2,0,0]=4 2703 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCO 1458a_100020647043_100000210776 [1,1,0,0,0,0|2,0,0]=4 2704 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCF 11a_100015189416_100020647043 [1,1,0,0,0,0|2,0,0]=4 2705 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCF 1626a_100015189416_100020647043 [1,1,0,0,0,0|2,0,0]=4 2706 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCF 240690a_100015189416_100020647043 [1,1,0,0,0,0|2,0,0]=4 2707 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCO 240690a_100000182051_100020647043 [1,1,0,0,0,0|2,0,0]=4 2708 B16R1.688 C#CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100010269958 [1,1,0,0,0,0|1,0,1]=4 2709 B16R1.688 C#CCCCNC(=O)C=Cc1ccccc1 11a_100000718082_100000210462 [1,1,0,0,0,0|1,0,1]=4 2710 B16R1.688 C#CCCCNC(=O)C=Cc1ccccc1 1626a_100000718082_100000210462 [1,1,0,0,0,0|1,0,1]=4 2711 B16R1.688 C=CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215482 [1,1,0,0,0,0|1,0,1]=4 2712 B16R1.688 C=CCCCNC(=O)C=Cc1ccccc1 11a_100000700776_100000210462 [1,1,0,0,0,0|1,0,1]=4 2713 B16R1.688 C=CCCCNC(=O)C=Cc1ccccc1 1626a_100000700776_100000210462 [1,1,0,0,0,0|1,0,1]=4 2714 B16R1.688 CC/C=C\CCC(=O)C=Cc1ccccc1 1458a_100000210462_100015370543 [1,1,0,0,0,0|1,0,1]=4 2715 B16R1.688 CCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210757 [1,1,0,0,0,0|1,0,0]=3 2716 B16R1.688 CCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210757 [1,1,0,0,0,0|2,0,0]=4 2717 B16R1.688 CCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210757 [1,1,0,0,0,0|2,0,0]=4 2718 B16R1.688 CCCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210757 [1,1,0,0,0,0|2,0,0]=4 2719 B16R1.688 CCCCCNC(=O)C=Cc1ccccc1 11a_100000209983_100000210462 [1,1,0,0,0,0|1,0,0]=3 2720 B16R1.688 CCCCCNC(=O)C=Cc1ccccc1 1626a_100000209983_100000210462 [1,1,0,0,0,0|1,0,0]=3 2721 B16R1.688 CCCCCNC(=O)C=Cc1ccccn1 11a_100000209983_100000740811 [1,1,0,0,0,0|2,0,0]=4 2722 B16R1.688 CCCCCNC(=O)C=Cc1ccccn1 240690a_100000209983_100000740811 [1,1,0,0,0,0|2,0,0]=4 2723 B16R1.688 CCCCCNC(=O)C=Cc1cccnc1 11a_100000209983_100000735890 [1,1,0,0,0,0|2,0,0]=4 2724 B16R1.688 CCCCCNC(=O)C=Cc1cccnc1 240690a_100000209983_100000735890 [1,1,0,0,0,0|2,0,0]=4 2725 B16R1.688 CCCCCNC(=O)C=Cc1ccncc1 240690a_100000209983_100000682801 [1,1,0,0,0,0|2,0,0]=4 2726 B16R1.688 CCCCNN=C(C)C=Cc1ccccc1 4a_100025702795_100000204604 [1,1,0,0,0,0|2,0,0]=4 2727 B16R1.688 CCCCNNC(=O)C=Cc1ccccc1 22a_100025702795_100000210462 [1,1,0,0,0,0|1,0,0]=3 2728 B16R1.688 CCCCNNC(=O)C=Cc1ccccn1 22a_100025702795_100000740811 [1,1,0,0,0,0|2,0,0]=4 2729 B16R1.688 CCCCNNC(=O)C=Cc1cccnc1 22a_100025702795_100000735890 [1,1,0,0,0,0|2,0,0]=4 2730 B16R1.688 CCCCNNC(=O)C=Cc1ccncc1 22a_100025702795_100000682801 [1,1,0,0,0,0|2,0,0]=4 2731 B16R1.688 CCCCOCC(=O)C#Cc1ccccc1 1458a_100000736102_100011995733 [1,1,0,0,0,0|0,0,2]=4 2732 B16R1.688 CCCCOCC(=O)C=Cc1ccccc1 1458a_100000210462_100011995733 [1,1,0,0,0,0|0,0,0]=2 2733 B16R1.688 CCCCOCC(=O)C=Cc1ccccn1 1458a_100000740811_100011995733 [1,1,0,0,0,0|1,0,0]=3 2734 B16R1.688 CCCCOCC(=O)C=Cc1cccnc1 1458a_100000735890_100011995733 [1,1,0,0,0,0|1,0,0]=3 2735 B16R1.688 CCCCOCC(=O)C=Cc1ccncc1 1458a_100000682801_100011995733 [1,1,0,0,0,0|1,0,0]=3 2736 B16R1.688 CCCCOCC(=O)CCc1ccccc1 1458a_100000185753_100011995733 [1,1,0,0,0,0|0,0,2]=4 2737 B16R1.688 CCCCOCC(=O)CCc1ccccc1 1458a_100000757543_100000765856 [1,1,0,0,0,0|0,0,2]=4 2738 B16R1.688 CCCCOCC(=O)CCc1ccccc1 34a_100000210227_100012361361 [1,1,0,0,0,0|0,0,2]=4 2739 B16R1.688 CCCCOCC(=O)CCc1ccccc1 7a_100000210227_100012361361 [1,1,0,0,0,0|0,0,2]=4 2740 B16R1.688 CCCCOCC(=O)COc1ccccc1 1458a_100000186222_100011995733 [1,1,0,0,0,0|1,0,1]=4 2741 B16R1.688 CCCCOCC(=O)CSc1ccccc1 1458a_100000211596_100011995733 [1,1,0,0,0,0|1,0,1]=4 2742 B16R1.688 CCCCOCC(=O)NCc1ccccc1 11a_100015324214_100000757543 [1,1,0,0,0,0|1,0,1]=4 2743 B16R1.688 CCCCOCC(=O)NCc1ccccc1 1626a_100015324214_100000757543 [1,1,0,0,0,0|1,0,1]=4 2744 B16R1.688 CCCCOCC(=O)NCc1ccccc1 240690a_100015324214_100000757543 [1,1,0,0,0,0|1,0,1]=4 2745 B16R1.688 CCCCOCC(=O)NCc1ccccc1 34a_100000210227_100000183539 [1,1,0,0,0,0|1,0,1]=4 2746 B16R1.688 CCCCOCC(=O)NCc1ccccc1 527a_100015324214_100000757543 [1,1,0,0,0,0|1,0,1]=4 2747 B16R1.688 CCCCOCC(=O)NCc1ccccc1 7a_100000210227_100000183539 [1,1,0,0,0,0|1,0,1]=4 2748 B16R1.688 CCCCOCC(=O)NNc1ccccc1 22a_100015195140_100000757543 [1,1,0,0,0,0|2,0,0]=4 2749 B16R1.688 CCCCOCC(=O)OCc1ccccc1 34a_100000210227_100000753625 [1,1,0,0,0,0|1,0,1]=4 2750 B16R1.688 CCCCOCC(=O)OCc1ccccc1 7a_100000210227_100000753625 [1,1,0,0,0,0|1,0,1]=4 2751 B16R1.688 CCCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215938 [1,1,0,0,0,0|1,0,0]=3 2752 B16R1.688 CCCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215938 [1,1,0,0,0,0|2,0,0]=4 2753 B16R1.688 CCCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215938 [1,1,0,0,0,0|2,0,0]=4 2754 B16R1.688 CCCOCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215938 [1,1,0,0,0,0|2,0,0]=4 2755 B16R1.688 CCOCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100012232248 [1,1,0,0,0,0|1,0,0]=3 2756 B16R1.688 CCOCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100012232248 [1,1,0,0,0,0|2,0,0]=4 2757 B16R1.688 CCOCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100012232248 [1,1,0,0,0,0|2,0,0]=4 2758 B16R1.688 CCOCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100012232248 [1,1,0,0,0,0|2,0,0]=4 2759 B16R1.688 CCOCCNC(=O)C=Cc1ccccc1 11a_100011200944_100000210462 [1,1,0,0,0,0|1,0,0]=3 2760 B16R1.688 CCOCCNC(=O)C=Cc1ccccc1 1626a_102516460346_100000210462 [1,1,0,0,0,0|1,0,0]=3 2761 B16R1.688 CCOCCNC(=O)C=Cc1ccccn1 11a_100011200944_100000740811 [1,1,0,0,0,0|2,0,0]=4 2762 B16R1.688 CCOCCNC(=O)C=Cc1ccccn1 240690a_100011200944_100000740811 [1,1,0,0,0,0|2,0,0]=4 2763 B16R1.688 CCOCCNC(=O)C=Cc1cccnc1 11a_100011200944_100000735890 [1,1,0,0,0,0|2,0,0]=4 2764 B16R1.688 CCOCCNC(=O)C=Cc1cccnc1 240690a_100011200944_100000735890 [1,1,0,0,0,0|2,0,0]=4 2765 B16R1.688 CCOCCNC(=O)C=Cc1ccncc1 240690a_100011200944_100000682801 [1,1,0,0,0,0|2,0,0]=4 2766 B16R1.688 CCOCCOC(=O)CNc1ccccc1 34a_100000106764_200000101388 [1,1,0,0,0,0|1,0,1]=4 2767 B16R1.688 CCOCCOC(=O)COc1ccccc1 34a_100000210340_200000101388 [1,1,0,0,0,0|1,0,1]=4 2768 B16R1.688 CCOCCOC(=O)COc1ccccc1 7a_100000210340_200000101388 [1,1,0,0,0,0|1,0,1]=4 2769 B16R1.688 CCOCCOC(=O)CSc1ccccc1 62a_100000719477_200000101388 [1,1,0,0,0,0|1,0,1]=4 2770 B16R1.688 CCOCCOC(=O)CSc1ccccc1 62a_200000101388_100000041952 [1,1,0,0,0,0|1,0,1]=4 2771 B16R1.688 CCSCCNC(=O)C=Cc1ccccc1 11a_100000106463_100000210462 [1,1,0,0,0,0|1,0,0]=3 2772 B16R1.688 CCSCCNC(=O)C=Cc1ccccc1 1626a_100000106463_100000210462 [1,1,0,0,0,0|1,0,0]=3 2773 B16R1.688 CCSCCNC(=O)C=Cc1ccccn1 11a_100000106463_100000740811 [1,1,0,0,0,0|2,0,0]=4 2774 B16R1.688 CCSCCNC(=O)C=Cc1ccccn1 240690a_100000106463_100000740811 [1,1,0,0,0,0|2,0,0]=4 2775 B16R1.688 CCSCCNC(=O)C=Cc1cccnc1 11a_100000106463_100000735890 [1,1,0,0,0,0|2,0,0]=4 2776 B16R1.688 CCSCCNC(=O)C=Cc1cccnc1 240690a_100000106463_100000735890 [1,1,0,0,0,0|2,0,0]=4 2777 B16R1.688 CCSCCNC(=O)C=Cc1ccncc1 240690a_100000106463_100000682801 [1,1,0,0,0,0|2,0,0]=4 2778 B16R1.688 COCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000755781 [1,1,0,0,0,0|1,0,0]=3 2779 B16R1.688 COCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000755781 [1,1,0,0,0,0|2,0,0]=4 2780 B16R1.688 COCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000755781 [1,1,0,0,0,0|2,0,0]=4 2781 B16R1.688 COCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000755781 [1,1,0,0,0,0|2,0,0]=4 2782 B16R1.688 COCCCNC(=O)C=Cc1ccccc1 1626a_100150723488_100000210462 [1,1,0,0,0,0|1,0,0]=3 2783 B16R1.688 COCCCNC(=O)C=Cc1ccccn1 240690a_100150723488_100000740811 [1,1,0,0,0,0|2,0,0]=4 2784 B16R1.688 COCCCNC(=O)C=Cc1cccnc1 240690a_100150723488_100000735890 [1,1,0,0,0,0|2,0,0]=4 2785 B16R1.688 COCCCNC(=O)C=Cc1ccncc1 240690a_100150723488_100000682801 [1,1,0,0,0,0|2,0,0]=4 2786 B16R1.688 COCCNNC(=O)C=Cc1ccccc1 22a_100000741390_100000210462 [1,1,0,0,0,0|2,0,0]=4 2787 B16R1.688 CSCCCNC(=O)C=Cc1ccccc1 11a_100000749238_100000210462 [1,1,0,0,0,0|1,0,0]=3 2788 B16R1.688 CSCCCNC(=O)C=Cc1ccccc1 1626a_100000749238_100000210462 [1,1,0,0,0,0|1,0,0]=3 2789 B16R1.688 CSCCCNC(=O)C=Cc1ccccn1 11a_100000749238_100000740811 [1,1,0,0,0,0|2,0,0]=4 2790 B16R1.688 CSCCCNC(=O)C=Cc1ccccn1 240690a_100000749238_100000740811 [1,1,0,0,0,0|2,0,0]=4 2791 B16R1.688 CSCCCNC(=O)C=Cc1cccnc1 11a_100000749238_100000735890 [1,1,0,0,0,0|2,0,0]=4 2792 B16R1.688 CSCCCNC(=O)C=Cc1cccnc1 240690a_100000749238_100000735890 [1,1,0,0,0,0|2,0,0]=4 2793 B16R1.688 CSCCCNC(=O)C=Cc1ccncc1 240690a_100000749238_100000682801 [1,1,0,0,0,0|2,0,0]=4 2794 B16R1.688 N#CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211819 [1,1,0,0,0,0|1,0,1]=4 2795 B16R1.688 O=C(C=Cc1ccccc1)CCCCCF 1458a_100000210462_100000729378 [1,1,0,0,0,0|1,0,0]=3 2796 B16R1.688 O=C(C=Cc1ccccc1)CCCCCO 1458a_100000210462_100000746330 [1,1,0,0,0,0|1,0,0]=3 2797 B16R1.688 O=C(C=Cc1ccccc1)CCOCCO 1458a_100000210462_100011215305 [1,1,0,0,0,0|2,0,0]=4 2798 B16R1.688 O=C(C=Cc1ccccn1)CCCCCF 1458a_100000740811_100000729378 [1,1,0,0,0,0|2,0,0]=4 2799 B16R1.688 O=C(C=Cc1ccccn1)CCCCCO 1458a_100000740811_100000746330 [1,1,0,0,0,0|2,0,0]=4 2800 B16R1.688 O=C(C=Cc1ccccn1)NCCCCO 240690a_100000750430_100000740811 [1,1,0,0,0,0|2,0,0]=4 2801 B16R1.688 O=C(C=Cc1cccnc1)CCCCCF 1458a_100000735890_100000729378 [1,1,0,0,0,0|2,0,0]=4 2802 B16R1.688 O=C(C=Cc1cccnc1)CCCCCO 1458a_100000735890_100000746330 [1,1,0,0,0,0|2,0,0]=4 2803 B16R1.688 O=C(C=Cc1cccnc1)NCCCCO 240690a_100000750430_100000735890 [1,1,0,0,0,0|2,0,0]=4 2804 B16R1.688 O=C(C=Cc1ccncc1)CCCCCF 1458a_100000682801_100000729378 [1,1,0,0,0,0|2,0,0]=4 2805 B16R1.688 O=C(C=Cc1ccncc1)CCCCCO 1458a_100000682801_100000746330 [1,1,0,0,0,0|2,0,0]=4 2806 B16R1.688 O=C(C=Cc1ccncc1)NCCCCO 240690a_100000750430_100000682801 [1,1,0,0,0,0|2,0,0]=4 2807 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)CCCCF 1458a_100016990649_100000729493 [1,1,0,0,0,0|2,0,0]=4 2808 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)CCCCO 1458a_100016990649_100000210776 [1,1,0,0,0,0|2,0,0]=4 2809 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCF 11a_100015189416_100016990649 [1,1,0,0,0,0|2,0,0]=4 2810 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCF 1626a_100015189416_100016990649 [1,1,0,0,0,0|2,0,0]=4 2811 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCF 527a_100015189416_100016990649 [1,1,0,0,0,0|2,0,0]=4 2812 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCO 527a_100000182051_100016990649 [1,1,0,0,0,0|2,0,0]=4 2813 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC 11a_100000102301_100000066491 [1,1,0,0,0,0|1,0,1]=4 2814 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC 1626a_100000102301_100000066491 [1,1,0,0,0,0|1,0,1]=4 2815 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210326 [1,1,0,0,0,0|1,0,0]=3 2816 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210326 [1,1,0,0,0,0|1,0,0]=3 2817 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210326 [1,1,0,0,0,0|2,0,0]=4 2818 B16R1.1216 CCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210326 [1,1,0,0,0,0|1,0,0]=3 2819 B16R1.1216 CCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210326 [1,1,0,0,0,0|2,0,0]=4 2820 B16R1.1216 CCCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210326 [1,1,0,0,0,0|2,0,0]=4 2821 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000102301_100016990649 [1,1,0,0,0,0|1,0,0]=3 2822 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000102301_100016990649 [1,1,0,0,0,0|1,0,0]=3 2823 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000102301_100016990649 [1,1,0,0,0,0|1,0,0]=3 2824 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000102301_200020598536 [1,1,0,0,0,0|1,0,0]=3 2825 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000102301_200020598536 [1,1,0,0,0,0|1,0,0]=3 2826 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000102301_200020598536 [1,1,0,0,0,0|1,0,0]=3 2827 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000102301_200020598536 [1,1,0,0,0,0|1,0,0]=3 2828 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000102301_100025712827 [1,1,0,0,0,0|2,0,0]=4 2829 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000102301_100025712827 [1,1,0,0,0,0|2,0,0]=4 2830 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000102301_100025712827 [1,1,0,0,0,0|2,0,0]=4 2831 B16R1.1216 CCCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000102301_100020889036 [1,1,0,0,0,0|1,0,0]=3 2832 B16R1.1216 CCCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000102301_100020889036 [1,1,0,0,0,0|1,0,0]=3 2833 B16R1.1216 CCCCNC(=O)C(=Cc1cccnc1)F 11a_100000102301_100000731744 [1,1,0,0,0,0|2,0,0]=4 2834 B16R1.1216 CCCCNC(=O)C(=Cc1cccnc1)F 240690a_100000102301_100000731744 [1,1,0,0,0,0|2,0,0]=4 2835 B16R1.1216 CCCCNC(=O)C(=Cc1cccnc1)F 527a_100000102301_100000731744 [1,1,0,0,0,0|2,0,0]=4 2836 B16R1.1216 CCCCNC(=O)C(=O)Nc1ccccc1 240690a_100000102301_100000738435 [1,1,0,0,0,0|2,0,0]=4 2837 B16R1.1216 CCCCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100000759602 [1,1,0,0,0,0|1,0,1]=4 2838 B16R1.1216 CCCCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100000759602 [1,1,0,0,0,0|1,0,1]=4 2839 B16R1.1216 CCCCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100000759602 [1,1,0,0,0,0|1,0,1]=4 2840 B16R1.1216 CCCCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100000759602 [1,1,0,0,0,0|1,0,1]=4 2841 B16R1.1216 CCCCOC(=O)C(C)Sc1ccccc1 62a_100000759602_100000041952 [1,1,0,0,0,0|1,0,1]=4 2842 B16R1.1216 CCCNNC(=O)/C(=C/c1ccccc1)/C 22a_100000740057_100016990649 [1,1,0,0,0,0|2,0,0]=4 2843 B16R1.1216 CCCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000740057_200020598536 [1,1,0,0,0,0|2,0,0]=4 2844 B16R1.1216 CCCNNC(=O)/C(=C\c1ccccc1)/F 22a_100000740057_100020889036 [1,1,0,0,0,0|2,0,0]=4 2845 B16R1.1216 CCOCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011215890 [1,1,0,0,0,0|2,0,0]=4 2846 B16R1.1216 CCOCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215890 [1,1,0,0,0,0|2,0,0]=4 2847 B16R1.1216 CCOCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215890 [1,1,0,0,0,0|2,0,0]=4 2848 B16R1.1216 CCSCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000757381 [1,1,0,0,0,0|2,0,0]=4 2849 B16R1.1216 CCSCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000757381 [1,1,0,0,0,0|2,0,0]=4 2850 B16R1.1216 CCSCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000757381 [1,1,0,0,0,0|2,0,0]=4 2851 B16R1.1216 COCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000740836 [1,1,0,0,0,0|2,0,0]=4 2852 B16R1.1216 COCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000740836 [1,1,0,0,0,0|2,0,0]=4 2853 B16R1.1216 COCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000740836 [1,1,0,0,0,0|2,0,0]=4 2854 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000209980_100016990649 [1,1,0,0,0,0|2,0,0]=4 2855 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000209980_100016990649 [1,1,0,0,0,0|2,0,0]=4 2856 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000209980_200020598536 [1,1,0,0,0,0|2,0,0]=4 2857 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000209980_200020598536 [1,1,0,0,0,0|2,0,0]=4 2858 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000209980_200020598536 [1,1,0,0,0,0|2,0,0]=4 2859 B16R1.1216 COCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000209980_100020889036 [1,1,0,0,0,0|2,0,0]=4 2860 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/C 11a_100020590264_100016990649 [1,1,0,0,0,0|2,0,0]=4 2861 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020590264_100016990649 [1,1,0,0,0,0|2,0,0]=4 2862 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/C 527a_100020590264_100016990649 [1,1,0,0,0,0|2,0,0]=4 2863 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020590264_200020598536 [1,1,0,0,0,0|2,0,0]=4 2864 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020590264_200020598536 [1,1,0,0,0,0|2,0,0]=4 2865 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020590264_200020598536 [1,1,0,0,0,0|2,0,0]=4 2866 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020590264_200020598536 [1,1,0,0,0,0|2,0,0]=4 2867 B16R1.1216 CSCCNC(=O)/C(=C\c1ccccc1)/F 11a_100020590264_100020889036 [1,1,0,0,0,0|2,0,0]=4 2868 B16R1.1216 CSCCNC(=O)/C(=C\c1ccccc1)/F 527a_100020590264_100020889036 [1,1,0,0,0,0|2,0,0]=4 2869 B16R1.1216 O=C(CCCCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000729493 [1,1,0,0,0,0|2,0,0]=4 2870 B16R1.1216 O=C(CCCCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100000729493 [1,1,0,0,0,0|2,0,0]=4 2871 B16R1.1216 O=C(CCCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210776 [1,1,0,0,0,0|2,0,0]=4 2872 B16R1.1216 O=C(CCCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210776 [1,1,0,0,0,0|2,0,0]=4 2873 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 11a_100015189416_200020598536 [1,1,0,0,0,0|2,0,0]=4 2874 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 1626a_100015189416_200020598536 [1,1,0,0,0,0|2,0,0]=4 2875 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 240690a_100015189416_200020598536 [1,1,0,0,0,0|2,0,0]=4 2876 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 527a_100015189416_200020598536 [1,1,0,0,0,0|2,0,0]=4 2877 B16R1.1216 O=C(NCCCF)/C(=C\c1ccccc1)/F 11a_100015189416_100020889036 [1,1,0,0,0,0|2,0,0]=4 2878 B16R1.1216 O=C(NCCCF)/C(=C\c1ccccc1)/F 527a_100015189416_100020889036 [1,1,0,0,0,0|2,0,0]=4 2879 B16R1.1216 O=C(NCCCO)/C(=C/c1ccccc1)/Cl 240690a_100000182051_200020598536 [1,1,0,0,0,0|2,0,0]=4 2880 B16R1.1216 O=C(NCCCO)/C(=C/c1ccccc1)/Cl 527a_100000182051_200020598536 [1,1,0,0,0,0|2,0,0]=4 2881 B16R1.1216 O=C(NCCCO)/C(=C\c1ccccc1)/F 527a_100000182051_100020889036 [1,1,0,0,0,0|2,0,0]=4 2882 B16R1.1343 CCC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210202 [1,1,0,0,0,0|1,0,1]=4 2883 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 11a_100020588543_100000210462 [1,1,0,0,0,0|1,0,0]=3 2884 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 1626a_100020588543_100000210462 [1,1,0,0,0,0|1,0,0]=3 2885 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccn1 11a_100020588543_100000740811 [1,1,0,0,0,0|2,0,0]=4 2886 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccn1 240690a_100020588543_100000740811 [1,1,0,0,0,0|2,0,0]=4 2887 B16R1.1343 CCC(C)CNC(=O)C=Cc1cccnc1 11a_100020588543_100000735890 [1,1,0,0,0,0|2,0,0]=4 2888 B16R1.1343 CCC(C)CNC(=O)C=Cc1cccnc1 240690a_100020588543_100000735890 [1,1,0,0,0,0|2,0,0]=4 2889 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccncc1 240690a_100020588543_100000682801 [1,1,0,0,0,0|2,0,0]=4 2890 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccccc1 22a_100000718999_100000210462 [1,1,0,0,0,0|2,0,0]=4 2891 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccc1 11a_100011218483_100000210462 [1,1,0,0,0,0|1,0,0]=3 2892 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccn1 11a_100011218483_100000740811 [1,1,0,0,0,0|2,0,0]=4 2893 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccn1 240690a_100011218483_100000740811 [1,1,0,0,0,0|2,0,0]=4 2894 B16R1.1343 CCC(O)CNC(=O)C=Cc1cccnc1 11a_100011218483_100000735890 [1,1,0,0,0,0|2,0,0]=4 2895 B16R1.1343 CCC(O)CNC(=O)C=Cc1cccnc1 240690a_100011218483_100000735890 [1,1,0,0,0,0|2,0,0]=4 2896 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccncc1 240690a_100011218483_100000682801 [1,1,0,0,0,0|2,0,0]=4 2897 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 11a_100020591295_100000210462 [1,1,0,0,0,0|2,0,0]=4 2898 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 1626a_100020591295_100000210462 [1,1,0,0,0,0|2,0,0]=4 2899 B16R1.1516 CCCCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_200011215066 [1,1,0,0,0,0|1,0,0]=3 2900 B16R1.1516 CCCCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_200011215066 [1,1,0,0,0,0|2,0,0]=4 2901 B16R1.1516 CCCCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_200011215066 [1,1,0,0,0,0|2,0,0]=4 2902 B16R1.1516 CCCCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_200011215066 [1,1,0,0,0,0|2,0,0]=4 2903 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccc1 11a_100000207549_100000210462 [1,1,0,0,0,0|1,0,0]=3 2904 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccc1 1626a_100000207549_100000210462 [1,1,0,0,0,0|1,0,0]=3 2905 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccn1 11a_100000207549_100000740811 [1,1,0,0,0,0|2,0,0]=4 2906 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccn1 240690a_100000207549_100000740811 [1,1,0,0,0,0|2,0,0]=4 2907 B16R1.1516 CCCCN(C)C(=O)C=Cc1cccnc1 11a_100000207549_100000735890 [1,1,0,0,0,0|2,0,0]=4 2908 B16R1.1516 CCCCN(C)C(=O)C=Cc1cccnc1 240690a_100000207549_100000735890 [1,1,0,0,0,0|2,0,0]=4 2909 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccncc1 240690a_100000207549_100000682801 [1,1,0,0,0,0|2,0,0]=4 2910 B16R1.1516 COCCN(C)C(=O)C=Cc1ccccc1 11a_100000743101_100000210462 [1,1,0,0,0,0|2,0,0]=4 2911 B16R1.1516 COCCN(C)C(=O)C=Cc1ccccc1 1626a_100000743101_100000210462 [1,1,0,0,0,0|2,0,0]=4 2912 B16R1.1516 CSCCN(C)C(=O)C=Cc1ccccc1 11a_100000686725_100000210462 [1,1,0,0,0,0|2,0,0]=4 2913 B16R1.1516 CSCCN(C)C(=O)C=Cc1ccccc1 1626a_100000686725_100000210462 [1,1,0,0,0,0|2,0,0]=4 2914 B16R1.1570 CCCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747444 [1,1,0,0,0,0|1,0,1]=4 2915 B16R1.1570 CCCC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011216630 [1,1,0,0,0,0|1,0,0]=3 2916 B16R1.1570 CCCC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011216630 [1,1,0,0,0,0|2,0,0]=4 2917 B16R1.1570 CCCC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011216630 [1,1,0,0,0,0|2,0,0]=4 2918 B16R1.1570 CCCC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011216630 [1,1,0,0,0,0|2,0,0]=4 2919 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccc1 11a_100000741246_100000210462 [1,1,0,0,0,0|1,0,0]=3 2920 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccc1 1626a_100000741246_100000210462 [1,1,0,0,0,0|1,0,0]=3 2921 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccn1 11a_100000741246_100000740811 [1,1,0,0,0,0|2,0,0]=4 2922 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccn1 240690a_100000741246_100000740811 [1,1,0,0,0,0|2,0,0]=4 2923 B16R1.1570 CCCC(C)NC(=O)C=Cc1cccnc1 11a_100000741246_100000735890 [1,1,0,0,0,0|2,0,0]=4 2924 B16R1.1570 CCCC(C)NC(=O)C=Cc1cccnc1 240690a_100000741246_100000735890 [1,1,0,0,0,0|2,0,0]=4 2925 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccncc1 240690a_100000741246_100000682801 [1,1,0,0,0,0|2,0,0]=4 2926 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccc1 11a_100000764878_100000210462 [1,1,0,0,0,0|2,0,0]=4 2927 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccc1 1626a_100000764878_100000210462 [1,1,0,0,0,0|2,0,0]=4 2928 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210326 [1,1,0,0,0,0|1,0,0]=3 2929 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210326 [1,1,0,0,0,0|1,0,0]=3 2930 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210326 [1,1,0,0,0,0|1,0,0]=3 2931 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210326 [1,1,0,0,0,0|1,0,0]=3 2932 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 11a_100000102301_100000719032 [1,1,0,0,0,0|1,0,0]=3 2933 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 1626a_100000102301_100000719032 [1,1,0,0,0,0|1,0,0]=3 2934 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 240690a_100000102301_100000719032 [1,1,0,0,0,0|1,0,0]=3 2935 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1C 1626a_100000102301_100016266485 [1,1,0,0,0,0|1,0,0]=3 2936 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 11a_100000102301_100000720304 [1,1,0,0,0,0|1,0,0]=3 2937 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 1626a_100000102301_100000720304 [1,1,0,0,0,0|1,0,0]=3 2938 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 240690a_100000102301_100000720304 [1,1,0,0,0,0|1,0,0]=3 2939 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 11a_100000102301_100016256065 [1,1,0,0,0,0|1,0,0]=3 2940 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 1626a_100000102301_100016256065 [1,1,0,0,0,0|1,0,0]=3 2941 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 240690a_100000102301_100016256065 [1,1,0,0,0,0|1,0,0]=3 2942 B16R1.1696 CCCCOC(=O)CNc1ccccc1Br 34a_100000210017_100000211628 [1,1,0,0,0,0|1,0,1]=4 2943 B16R1.1696 CCCCOC(=O)CNc1ccccc1C 34a_100015192222_100000211628 [1,1,0,0,0,0|1,0,1]=4 2944 B16R1.1696 CCCCOC(=O)CNc1ccccc1Cl 34a_100000185783_100000211628 [1,1,0,0,0,0|1,0,1]=4 2945 B16R1.1696 CCCCOC(=O)CNc1ccccc1F 34a_100000210422_100000211628 [1,1,0,0,0,0|1,0,1]=4 2946 B16R1.1696 CCCCOC(=O)CNc1ccccc1I 34a_100000210053_100000211628 [1,1,0,0,0,0|1,0,1]=4 2947 B16R1.1696 CCCCOC(=O)CNc1ccccc1O 34a_100000185747_100000211628 [1,1,0,0,0,0|1,0,1]=4 2948 B16R1.1696 CCCCOC(=O)COc1ccccc1Br 34a_100000181306_100000211628 [1,1,0,0,0,0|1,0,1]=4 2949 B16R1.1696 CCCCOC(=O)COc1ccccc1Br 7a_100000181306_100000211628 [1,1,0,0,0,0|1,0,1]=4 2950 B16R1.1696 CCCCOC(=O)COc1ccccc1C 34a_100000210338_100000211628 [1,1,0,0,0,0|1,0,1]=4 2951 B16R1.1696 CCCCOC(=O)COc1ccccc1C 7a_100000210338_100000211628 [1,1,0,0,0,0|1,0,1]=4 2952 B16R1.1696 CCCCOC(=O)COc1ccccc1Cl 34a_100000210172_100000211628 [1,1,0,0,0,0|1,0,1]=4 2953 B16R1.1696 CCCCOC(=O)COc1ccccc1Cl 7a_100000210172_100000211628 [1,1,0,0,0,0|1,0,1]=4 2954 B16R1.1696 CCCCOC(=O)COc1ccccc1F 34a_100000210171_100000211628 [1,1,0,0,0,0|1,0,1]=4 2955 B16R1.1696 CCCCOC(=O)COc1ccccc1F 7a_100000210171_100000211628 [1,1,0,0,0,0|1,0,1]=4 2956 B16R1.1696 CCCCOC(=O)COc1ccccc1I 34a_100000739446_100000211628 [1,1,0,0,0,0|1,0,1]=4 2957 B16R1.1696 CCCCOC(=O)COc1ccccc1I 7a_100000739446_100000211628 [1,1,0,0,0,0|1,0,1]=4 2958 B16R1.1696 CCCCOC(=O)COc1ccccc1N 34a_100000185747_100000211628 [1,1,0,0,0,0|1,0,1]=4 2959 B16R1.1696 CCCCOC(=O)COc1ccccc1N 7a_100000185747_100000211628 [1,1,0,0,0,0|1,0,1]=4 2960 B16R1.1696 CCCCOC(=O)CSc1ccccc1Br 62a_100000211628_100000695589 [1,1,0,0,0,0|1,0,1]=4 2961 B16R1.1696 CCCCOC(=O)CSc1ccccc1Br 62a_100000695589_100000211628 [1,1,0,0,0,0|1,0,1]=4 2962 B16R1.1696 CCCCOC(=O)CSc1ccccc1C 62a_100000210755_100000211628 [1,1,0,0,0,0|1,0,1]=4 2963 B16R1.1696 CCCCOC(=O)CSc1ccccc1C 62a_100000211628_100000210755 [1,1,0,0,0,0|1,0,1]=4 2964 B16R1.1696 CCCCOC(=O)CSc1ccccc1Cl 62a_100000211628_100000764095 [1,1,0,0,0,0|1,0,1]=4 2965 B16R1.1696 CCCCOC(=O)CSc1ccccc1Cl 62a_100000764095_100000211628 [1,1,0,0,0,0|1,0,1]=4 2966 B16R1.1696 CCCCOC(=O)CSc1ccccc1F 62a_100000211628_100011215700 [1,1,0,0,0,0|1,0,1]=4 2967 B16R1.1696 CCCCOC(=O)CSc1ccccc1F 62a_100011215700_100000211628 [1,1,0,0,0,0|1,0,1]=4 2968 B16R1.1696 CCCCOC(=O)CSc1ccccc1N 62a_100000210017_100000211628 [1,1,0,0,0,0|1,0,1]=4 2969 B16R1.1696 CCCCOC(=O)CSc1ccccc1N 62a_100000211628_100000210017 [1,1,0,0,0,0|1,0,1]=4 2970 B16R1.1696 CCCCOC(=O)CSc1ccccc1O 62a_100000211628_100000739446 [1,1,0,0,0,0|1,0,1]=4 2971 B16R1.1696 CCCCOC(=O)CSc1ccccc1O 62a_100000739446_100000211628 [1,1,0,0,0,0|1,0,1]=4 2972 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1Br 22a_100000740057_100000719032 [1,1,0,0,0,0|2,0,0]=4 2973 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1C 22a_100000740057_100016266485 [1,1,0,0,0,0|2,0,0]=4 2974 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1Cl 22a_100000740057_100000720304 [1,1,0,0,0,0|2,0,0]=4 2975 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1F 22a_100000740057_100016256065 [1,1,0,0,0,0|2,0,0]=4 2976 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1O 22a_100000740057_100016263591 [1,1,0,0,0,0|2,0,0]=4 2977 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215890 [1,1,0,0,0,0|2,0,0]=4 2978 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215890 [1,1,0,0,0,0|2,0,0]=4 2979 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215890 [1,1,0,0,0,0|2,0,0]=4 2980 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215890 [1,1,0,0,0,0|2,0,0]=4 2981 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000757381 [1,1,0,0,0,0|2,0,0]=4 2982 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000757381 [1,1,0,0,0,0|2,0,0]=4 2983 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000757381 [1,1,0,0,0,0|2,0,0]=4 2984 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000757381 [1,1,0,0,0,0|2,0,0]=4 2985 B16R1.1696 COCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000740836 [1,1,0,0,0,0|2,0,0]=4 2986 B16R1.1696 COCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000740836 [1,1,0,0,0,0|2,0,0]=4 2987 B16R1.1696 COCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000740836 [1,1,0,0,0,0|2,0,0]=4 2988 B16R1.1696 COCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000740836 [1,1,0,0,0,0|2,0,0]=4 2989 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Br 1626a_100000209980_100000719032 [1,1,0,0,0,0|2,0,0]=4 2990 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Br 240690a_100000209980_100000719032 [1,1,0,0,0,0|2,0,0]=4 2991 B16R1.1696 COCCNC(=O)C=Cc1ccccc1C 1626a_100000209980_100016266485 [1,1,0,0,0,0|2,0,0]=4 2992 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Cl 1626a_100000209980_100000720304 [1,1,0,0,0,0|2,0,0]=4 2993 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Cl 240690a_100000209980_100000720304 [1,1,0,0,0,0|2,0,0]=4 2994 B16R1.1696 COCCNC(=O)C=Cc1ccccc1F 1626a_100000209980_100016256065 [1,1,0,0,0,0|2,0,0]=4 2995 B16R1.1696 COCCNC(=O)C=Cc1ccccc1F 240690a_100000209980_100016256065 [1,1,0,0,0,0|2,0,0]=4 2996 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br 11a_100020590264_100000719032 [1,1,0,0,0,0|2,0,0]=4 2997 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br 1626a_100020590264_100000719032 [1,1,0,0,0,0|2,0,0]=4 2998 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br 240690a_100020590264_100000719032 [1,1,0,0,0,0|2,0,0]=4 2999 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1C 1626a_100020590264_100016266485 [1,1,0,0,0,0|2,0,0]=4 3000 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Cl 11a_100020590264_100000720304 [1,1,0,0,0,0|2,0,0]=4 3001 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Cl 1626a_100020590264_100000720304 [1,1,0,0,0,0|2,0,0]=4 3002 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Cl 240690a_100020590264_100000720304 [1,1,0,0,0,0|2,0,0]=4 3003 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1F 11a_100020590264_100016256065 [1,1,0,0,0,0|2,0,0]=4 3004 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1F 1626a_100020590264_100016256065 [1,1,0,0,0,0|2,0,0]=4 3005 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1F 240690a_100020590264_100016256065 [1,1,0,0,0,0|2,0,0]=4 3006 B16R1.1696 Cc1ccccc1C=CC(=O)NCCCF 1626a_100015189416_100016266485 [1,1,0,0,0,0|2,0,0]=4 3007 B16R1.1696 O=C(C=Cc1ccccc1Br)CCCCF 1458a_100000719032_100000729493 [1,1,0,0,0,0|2,0,0]=4 3008 B16R1.1696 O=C(C=Cc1ccccc1Br)CCCCO 1458a_100000719032_100000210776 [1,1,0,0,0,0|2,0,0]=4 3009 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCF 11a_100015189416_100000719032 [1,1,0,0,0,0|2,0,0]=4 3010 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCF 1626a_100015189416_100000719032 [1,1,0,0,0,0|2,0,0]=4 3011 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCF 240690a_100015189416_100000719032 [1,1,0,0,0,0|2,0,0]=4 3012 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCO 240690a_100000182051_100000719032 [1,1,0,0,0,0|2,0,0]=4 3013 B16R1.1696 O=C(C=Cc1ccccc1Cl)CCCCF 1458a_100000720304_100000729493 [1,1,0,0,0,0|2,0,0]=4 3014 B16R1.1696 O=C(C=Cc1ccccc1Cl)CCCCO 1458a_100000720304_100000210776 [1,1,0,0,0,0|2,0,0]=4 3015 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCF 11a_100015189416_100000720304 [1,1,0,0,0,0|2,0,0]=4 3016 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCF 1626a_100015189416_100000720304 [1,1,0,0,0,0|2,0,0]=4 3017 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCF 240690a_100015189416_100000720304 [1,1,0,0,0,0|2,0,0]=4 3018 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCO 240690a_100000182051_100000720304 [1,1,0,0,0,0|2,0,0]=4 3019 B16R1.1696 O=C(C=Cc1ccccc1F)CCCCF 1458a_100016256065_100000729493 [1,1,0,0,0,0|2,0,0]=4 3020 B16R1.1696 O=C(C=Cc1ccccc1F)CCCCO 1458a_100016256065_100000210776 [1,1,0,0,0,0|2,0,0]=4 3021 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCF 11a_100015189416_100016256065 [1,1,0,0,0,0|2,0,0]=4 3022 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCF 1626a_100015189416_100016256065 [1,1,0,0,0,0|2,0,0]=4 3023 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCF 240690a_100015189416_100016256065 [1,1,0,0,0,0|2,0,0]=4 3024 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCO 240690a_100000182051_100016256065 [1,1,0,0,0,0|2,0,0]=4 3025 B16R1.1696 O=C(C=Cc1ccccc1O)CCCCF 1458a_100016263591_100000729493 [1,1,0,0,0,0|2,0,0]=4 3026 B16R1.1696 O=C(C=Cc1ccccc1O)CCCCO 1458a_100016263591_100000210776 [1,1,0,0,0,0|2,0,0]=4 3027 B16R1.20527 CCCCNS(=O)(=O)C=Cc1ccccc1 40a_100000102301_100011098038 [1,1,0,0,0,0|2,0,0]=4 3028 B16R1.77 CC(C)CCNCC=Cc1ccc(cc1)Br 270004a_100000210545_100016291818 [1,1,0,0,0,0|1,0,1]=4 3029 B16R1.77 CC(C)CCNCC=Cc1ccc(cc1)Cl 270004a_100000210545_100102525842 [1,1,0,0,0,0|1,0,1]=4 3030 B16R1.77 CC(C)CCNCC=Cc1ccc(cc1)F 270004a_100000210545_100016272083 [1,1,0,0,0,0|1,0,1]=4 3031 B16R1.77 Cc1ccc(cc1)C=CCNCCC(C)C 270004a_100000210545_100016257026 [1,1,0,0,0,0|1,0,1]=4 3032 B16R1.83 CC(C)CCNCC=Cc1cccc(c1)Cl 270004a_100000210545_100016268971 [1,1,0,0,0,0|1,0,1]=4 3033 B16R1.83 Cc1cccc(c1)C=CCNCCC(C)C 270004a_100000210545_100102525846 [1,1,0,0,0,0|1,0,1]=4 3034 B16R1.290 CC(C)CCNCC=Cc1ccccc1Br 270004a_100000210545_200016268969 [1,1,0,0,0,0|1,0,1]=4 3035 B16R1.290 CC(C)CCNCC=Cc1ccccc1Cl 270004a_100000210545_200102525841 [1,1,0,0,0,0|1,0,1]=4 3036 B16R1.290 CC(C)CCNCC=Cc1ccccc1F 270004a_100000210545_200102525844 [1,1,0,0,0,0|1,0,1]=4 3037 B16R1.609 CC(C)CCOCCC(=O)c1ccccc1 7a_100000210254_100000750707 [1,1,0,0,0,0|0,0,2]=4 3038 B16R1.609 CC(C)CCOCOC(=O)c1ccccc1 7a_100000210254_100000073877 [1,1,0,0,0,0|1,0,1]=4 3039 B16R1.610 C/C(=C\c1ccccc1)/COCCC(C)C 34a_200025717232_100000210312 [1,1,0,0,0,0|0,0,1]=3 3040 B16R1.610 C/C(=C\c1ccccc1)/COCCC(C)C 7a_200025717232_100000210626 [1,1,0,0,0,0|0,0,1]=3 3041 B16R1.610 C/C(=C\c1ccccc1)/COCCC(C)O 34a_200025717232_100012276601 [1,1,0,0,0,0|1,0,1]=4 3042 B16R1.610 C/C(=C\c1ccccc1)/COCCC(C)O 7a_200025717232_100012276601 [1,1,0,0,0,0|1,0,1]=4 3043 B16R1.610 C/C(=C\c1ccccc1)/COCCN(C)C 7a_200025717232_100000755713 [1,1,0,0,0,0|1,0,1]=4 3044 B16R1.610 C/C(=C\c1ccccc1)/COCOC(C)C 34a_200025717232_100000709892 [1,1,0,0,0,0|1,0,1]=4 3045 B16R1.610 CC(C)CCOCC(=O)Cc1ccccc1 7a_100000210254_100000233483 [1,1,0,0,0,0|0,0,2]=4 3046 B16R1.610 CC(C)CCOCC(=O)Nc1ccccc1 34a_100000210254_100000182850 [1,1,0,0,0,0|1,0,1]=4 3047 B16R1.610 CC(C)CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210312 [1,1,0,0,0,0|1,0,1]=4 3048 B16R1.610 CC(C)CCOCC(=O)Nc1ccccc1 7a_100000210254_100000182850 [1,1,0,0,0,0|1,0,1]=4 3049 B16R1.610 CC(C)CCOCC(=O)Oc1ccccc1 34a_100000210254_100009813826 [1,1,0,0,0,0|1,0,1]=4 3050 B16R1.610 CC(C)CCOCC(=O)Oc1ccccc1 7a_100000210254_100009813826 [1,1,0,0,0,0|1,0,1]=4 3051 B16R1.1166 CC(CO)CCNC/C=C/c1ccccc1 2230a_106354213184_100016265936 [1,1,0,0,0,0|1,0,1]=4 3052 B16R1.1166 CC(CO)CCNC/C=C/c1ccccc1 34a_106354213184_100016265936 [1,1,0,0,0,0|1,0,1]=4 3053 B16R1.1166 CC(CO)CCNCC=Cc1ccccc1 270004a_106354213184_100000210105 [1,1,0,0,0,0|1,0,1]=4 3054 B16R1.1166 CCC(C)CCNC/C=C/c1ccccc1 2230a_100020591266_100016265936 [1,1,0,0,0,0|1,0,1]=4 3055 B16R1.1166 CCC(C)CCNCC=Cc1ccccc1 270004a_100020591266_100000210105 [1,1,0,0,0,0|1,0,1]=4 3056 B16R1.1166 CCC(C)CCOC/C=C/c1ccccc1 7a_100011215188_100016265936 [1,1,0,0,0,0|0,0,1]=3 3057 B16R1.1166 COC(C)CCOC/C=C/c1ccccc1 7a_100000764861_100016265936 [1,1,0,0,0,0|0,0,1]=3 3058 B16R1.4131 CC(C)C(=O)COC/C=C/c1ccccc1 34a_100000210256_100000753385 [1,1,0,0,0,0|0,0,2]=4 3059 B16R1.4131 CC(C)C(O)CNC/C=C/c1ccccc1 2230a_100000759067_100016265936 [1,1,0,0,0,0|1,0,1]=4 3060 B16R1.4131 CC(C)C(O)CNC/C=C/c1ccccc1 34a_100000759067_100016265936 [1,1,0,0,0,0|1,0,1]=4 3061 B16R1.4131 CC(C)C(O)CNCC=Cc1ccccc1 270004a_100000759067_100000210105 [1,1,0,0,0,0|1,0,1]=4 3062 B16R1.4131 CC(C)[C@@H](N)COC/C=C/c1ccccc1 34a_100011830312_100016265936 [1,1,0,0,0,0|0,0,1]=3 3063 B16R1.4470 CC(C)(C)CCNC/C=C/c1ccccc1 2230a_100000738805_100016265936 [1,1,0,0,0,0|1,0,1]=4 3064 B16R1.4470 CC(C)(C)CCNC/C=C/c1ccccc1 2230a_100020603302_100000755188 [1,1,0,0,0,0|1,0,1]=4 3065 B16R1.4470 CC(C)(C)CCNC/C=C/c1ccccc1 34a_100020603302_100000755188 [1,1,0,0,0,0|1,0,1]=4 3066 B16R1.4470 CC(C)(C)CCNCC=Cc1ccccc1 270004a_100000738805_100000210105 [1,1,0,0,0,0|1,0,1]=4 3067 B16R1.4470 CC(C)(C)CCOC/C=C/c1ccccc1 34a_100000210256_100000755188 [1,1,0,0,0,0|0,0,1]=3 3068 B16R1.4470 CC(C)(C)CCOC/C=C/c1ccccc1 7a_100000765024_100016265936 [1,1,0,0,0,0|0,0,1]=3 3069 B16R1.4470 CC(C)(C)CCOC/C=C/c1cccnc1 34a_200102594124_100000755188 [1,1,0,0,0,0|1,0,1]=4 3070 B16R1.4470 CC(C)(C)CCSC/C=C/c1ccccc1 62a_100000755188_100016265936 [1,1,0,0,0,0|0,1,1]=4 3071 B16R1.4470 CC(C)(C)CCSC/C=C/c1ccccc1 62a_100016265936_100000755188 [1,1,0,0,0,0|0,1,1]=4 3072 B16R1.4470 CC(C)(F)CCNC/C=C/c1ccccc1 2230a_100016253952_100016265936 [1,1,0,0,0,0|1,0,1]=4 3073 B16R1.4470 CC(C)(F)CCNCC=Cc1ccccc1 270004a_100016253952_100000210105 [1,1,0,0,0,0|1,0,1]=4 3074 B16R1.4470 CC(C)(O)CCNC/C=C/c1ccccc1 2230a_100020603302_100000702414 [1,1,0,0,0,0|1,0,1]=4 3075 B16R1.4470 CC(C)(O)CCNC/C=C/c1ccccc1 34a_100020603302_100000702414 [1,1,0,0,0,0|1,0,1]=4 3076 B16R1.4470 CC(C)(O)CCNCC=Cc1ccccc1 270004a_100000707701_100000210105 [1,1,0,0,0,0|1,0,1]=4 3077 B16R1.4470 CC(C)(O)CCOC/C=C/c1ccccc1 34a_100000210256_100000702414 [1,1,0,0,0,0|0,0,1]=3 3078 B16R1.4470 CC(C)(O)CCOC/C=C/c1cccnc1 34a_200102594124_100000702414 [1,1,0,0,0,0|1,0,1]=4 3079 B16R1.4470 CC(C)(O)CCSC/C=C/c1ccccc1 62a_100000702414_100016265936 [1,1,0,0,0,0|0,1,1]=4 3080 B16R1.4470 CC(C)(O)CCSC/C=C/c1ccccc1 62a_100016265936_100000702414 [1,1,0,0,0,0|0,1,1]=4 3081 B16R1.4470 C[N+](C)(C)CCOC/C=C/c1ccccc1 34a_100000210256_100000085578 [1,1,0,0,0,0|1,0,1]=4 3082 B16R1.4470 C[N+](C)(C)CCOC/C=C/c1ccccc1 7a_200020618287_100016265936 [1,1,0,0,0,0|1,0,1]=4 3083 B16R1.4470 C[Si](C)(C)CCOC/C=C/c1ccccc1 34a_100000210256_200000733723 [1,1,0,0,0,0|0,1,1]=4 3084 B16R1.4470 C[Si](C)(C)CCOC/C=C/c1ccccc1 7a_100000039746_100016265936 [1,1,0,0,0,0|0,1,1]=4 3085 B16R1.6929 CC(C)CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210624 [1,1,0,0,0,0|1,0,1]=4 3086 B16R1.6929 CC(C)CC(C)NC/C=C/c1ccccc1 2230a_100000692259_100016265936 [1,1,0,0,0,0|1,0,1]=4 3087 B16R1.6929 CC(C)CC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000731052 [1,1,0,0,0,0|1,0,1]=4 3088 B16R1.6929 CC(C)CC(C)NC/C=C/c1ccccc1 34a_100020603302_100000731052 [1,1,0,0,0,0|1,0,1]=4 3089 B16R1.6929 CC(C)CC(C)NCC=Cc1ccccc1 270004a_100000692259_100000210105 [1,1,0,0,0,0|1,0,1]=4 3090 B16R1.6929 CC(C)CC(C)OC/C=C/c1ccccc1 34a_100000210256_100000731052 [1,1,0,0,0,0|0,0,1]=3 3091 B16R1.6929 CC(C)CC(C)OC/C=C/c1ccccc1 34a_100000211805_100016265936 [1,1,0,0,0,0|0,0,1]=3 3092 B16R1.6929 CC(C)CC(C)OC/C=C/c1ccccc1 7a_100000211805_100016265936 [1,1,0,0,0,0|0,0,1]=3 3093 B16R1.6929 CC(C)CC(C)OC/C=C/c1cccnc1 34a_200102594124_100000731052 [1,1,0,0,0,0|1,0,1]=4 3094 B16R1.6929 CC(C)CC(C)SC/C=C/c1ccccc1 62a_100000731052_100016265936 [1,1,0,0,0,0|0,1,1]=4 3095 B16R1.6929 CC(C)CC(C)SC/C=C/c1ccccc1 62a_100016265936_100000731052 [1,1,0,0,0,0|0,1,1]=4 3096 B16R1.18213 CC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100000181311_100016265936 [1,1,0,0,0,0|1,0,1]=4 3097 B16R1.18213 CC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210312 [1,1,0,0,0,0|1,0,1]=4 3098 B16R1.18213 CC(C)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210312 [1,1,0,0,0,0|2,0,0]=4 3099 B16R1.18213 CC(C)CCN(C)C/C=C/c1ccccc1 2230a_100000742789_100016265936 [1,1,0,0,0,0|1,0,1]=4 3100 B16R1.18213 CC(C)CCN(C)C/C=C/c1ccccc1 269982a_100000742789_100016265936 [1,1,0,0,0,0|1,0,1]=4 3101 B16R1.18213 CC(C)CCN(C)CC=Cc1ccccc1 270004a_100000742789_100000210105 [1,1,0,0,0,0|1,0,1]=4 3102 B16R1.1163 CC(CO)CCNC(=O)C=Cc1cccs1 240690a_106354213184_100000182767 [0,1,0,0,1,0|2,0,0]=4 3103 B16R1.1163 CC(CO)CCNC(=O)C=Cc1ccoc1 240690a_106354213184_100000238621 [0,1,0,0,1,0|2,0,0]=4 3104 B16R1.1163 CC(CO)CCNC(=O)C=Cc1ccsc1 240690a_106354213184_100000698588 [0,1,0,0,1,0|2,0,0]=4 3105 B16R1.1163 CC(CO)CCNC(=O)C=Cc1ccsc1 527a_106354213184_100000698588 [0,1,0,0,1,0|2,0,0]=4 3106 B16R1.1163 CCC(C)CCNC(=O)C=Cc1cccs1 11a_100020591266_100000182767 [0,1,0,0,1,0|2,0,0]=4 3107 B16R1.1163 CCC(C)CCNC(=O)C=Cc1cccs1 1626a_100020591266_100000182767 [0,1,0,0,1,0|2,0,0]=4 3108 B16R1.1163 CCC(C)CCNC(=O)C=Cc1cccs1 240690a_100020591266_100000182767 [0,1,0,0,1,0|2,0,0]=4 3109 B16R1.1163 CCC(C)CCNC(=O)C=Cc1ccoc1 11a_100020591266_100000238621 [0,1,0,0,1,0|2,0,0]=4 3110 B16R1.1163 CCC(C)CCNC(=O)C=Cc1ccoc1 1626a_100020591266_100000238621 [0,1,0,0,1,0|2,0,0]=4 3111 B16R1.1163 CCC(C)CCNC(=O)C=Cc1ccoc1 240690a_100020591266_100000238621 [0,1,0,0,1,0|2,0,0]=4 3112 B16R1.1163 CCC(C)CCNC(=O)C=Cc1ccsc1 11a_100020591266_100000698588 [0,1,0,0,1,0|2,0,0]=4 3113 B16R1.1163 CCC(C)CCNC(=O)C=Cc1ccsc1 1626a_100020591266_100000698588 [0,1,0,0,1,0|2,0,0]=4 3114 B16R1.1163 CCC(C)CCNC(=O)C=Cc1ccsc1 240690a_100020591266_100000698588 [0,1,0,0,1,0|2,0,0]=4 3115 B16R1.1163 CCC(C)CCNC(=O)C=Cc1ccsc1 527a_100020591266_100000698588 [0,1,0,0,1,0|2,0,0]=4 3116 B16R1.4551 CC(C)CCC(C)C(=O)C=Cc1cccs1 1458a_100000182767_100011261404 [0,1,0,0,1,0|2,0,0]=4 3117 B16R1.4551 CC(C)CCC(C)C(=O)C=Cc1ccoc1 1458a_100000238621_100011261404 [0,1,0,0,1,0|2,0,0]=4 3118 B16R1.4551 CC(C)CCC(C)C(=O)C=Cc1ccsc1 1458a_100000698588_100011261404 [0,1,0,0,1,0|2,0,0]=4 3119 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1cccs1 11a_100000742789_100000182767 [0,1,0,0,1,0|2,0,0]=4 3120 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1cccs1 1626a_100000742789_100000182767 [0,1,0,0,1,0|2,0,0]=4 3121 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1cccs1 240690a_100000742789_100000182767 [0,1,0,0,1,0|2,0,0]=4 3122 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1ccoc1 11a_100000742789_100000238621 [0,1,0,0,1,0|2,0,0]=4 3123 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1ccoc1 1626a_100000742789_100000238621 [0,1,0,0,1,0|2,0,0]=4 3124 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1ccoc1 240690a_100000742789_100000238621 [0,1,0,0,1,0|2,0,0]=4 3125 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1ccsc1 11a_100000742789_100000698588 [0,1,0,0,1,0|2,0,0]=4 3126 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1ccsc1 1626a_100000742789_100000698588 [0,1,0,0,1,0|2,0,0]=4 3127 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1ccsc1 240690a_100000742789_100000698588 [0,1,0,0,1,0|2,0,0]=4 3128 B16R1.4551 CC(C)CCN(C)C(=O)C=Cc1ccsc1 527a_100000742789_100000698588 [0,1,0,0,1,0|2,0,0]=4 3129 B16R1.6893 CC(C)CCCC(=O)C=Cc1cc(c[nH]1)I 6a_100000071964_100000753411 [0,1,0,0,1,0|2,0,0]=4 3130 B16R1.6893 CC(C)CCCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100000753411 [0,1,0,0,1,0|2,0,0]=4 3131 B16R1.6893 CC(C)CCCC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_100011214892 [0,1,0,0,1,0|2,0,0]=4 3132 B16R1.6893 CC(C)CCCC(=O)C=Cc1cc(cs1)Br 6a_100000211722_100000753411 [0,1,0,0,1,0|2,0,0]=4 3133 B16R1.6893 CC(C)CCCC(=O)C=Cc1cc(cs1)I 6a_100010179861_100000753411 [0,1,0,0,1,0|2,0,0]=4 3134 B16R1.6893 CC(C)CCCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100011214892 [0,1,0,0,1,0|2,0,0]=4 3135 B16R1.6893 CC(C)CCCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100011214892 [0,1,0,0,1,0|2,0,0]=4 3136 B16R1.6893 CC(C)CCCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000753411 [0,1,0,0,1,0|2,0,0]=4 3137 B16R1.6893 CC(C)CCCC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_100011214892 [0,1,0,0,1,0|2,0,0]=4 3138 B16R1.6893 CC(C)CCCC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_100011214892 [0,1,0,0,1,0|2,0,0]=4 3139 B16R1.6893 CC(C)CCCC(=O)C=Cc1csc(c1)Br 6a_100000737087_100000753411 [0,1,0,0,1,0|2,0,0]=4 3140 B16R1.6893 CC(C)CCNC(=O)C=Cc1cc(cs1)Br 11a_100000210545_100102601599 [0,1,0,0,1,0|2,0,0]=4 3141 B16R1.6893 CC(C)CCNC(=O)C=Cc1cc(cs1)Br 1626a_100000210545_100102601599 [0,1,0,0,1,0|2,0,0]=4 3142 B16R1.6893 CC(C)CCNC(=O)C=Cc1cc(cs1)Br 240690a_100000210545_100102601599 [0,1,0,0,1,0|2,0,0]=4 3143 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(o1)Br 11a_100000210545_100000182240 [0,1,0,0,1,0|2,0,0]=4 3144 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(o1)Br 240690a_100000210545_100000182240 [0,1,0,0,1,0|2,0,0]=4 3145 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(o1)I 11a_100000210545_100000679848 [0,1,0,0,1,0|2,0,0]=4 3146 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(o1)I 1626a_100000210545_100000679848 [0,1,0,0,1,0|2,0,0]=4 3147 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(o1)I 240690a_100000210545_100000679848 [0,1,0,0,1,0|2,0,0]=4 3148 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(s1)Br 11a_100000210545_100102558031 [0,1,0,0,1,0|2,0,0]=4 3149 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(s1)Br 1626a_100000210545_100102558031 [0,1,0,0,1,0|2,0,0]=4 3150 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(s1)Br 240690a_100000210545_100102558031 [0,1,0,0,1,0|2,0,0]=4 3151 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(s1)Cl 11a_100000210545_100102558157 [0,1,0,0,1,0|2,0,0]=4 3152 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(s1)Cl 1626a_100000210545_100102558157 [0,1,0,0,1,0|2,0,0]=4 3153 B16R1.6893 CC(C)CCNC(=O)C=Cc1ccc(s1)Cl 240690a_100000210545_100102558157 [0,1,0,0,1,0|2,0,0]=4 3154 B16R1.6893 Cc1ccc(o1)C=CC(=O)CCCC(C)C 1458a_100000183563_100011214892 [0,1,0,0,1,0|2,0,0]=4 3155 B16R1.6893 Cc1ccc(o1)C=CC(=O)NCCC(C)C 11a_100000210545_100000183563 [0,1,0,0,1,0|2,0,0]=4 3156 B16R1.6893 Cc1ccc(o1)C=CC(=O)NCCC(C)C 1626a_100000210545_100000183563 [0,1,0,0,1,0|2,0,0]=4 3157 B16R1.6893 Cc1ccc(o1)C=CC(=O)NCCC(C)C 240690a_100000210545_100000183563 [0,1,0,0,1,0|2,0,0]=4 3158 B16R1.6893 Cc1ccc(o1)C=CC(=O)NCCC(C)C 527a_100000210545_100000183563 [0,1,0,0,1,0|2,0,0]=4 3159 B16R1.6893 Cc1ccc(s1)C=CC(=O)CCCC(C)C 1458a_100102558089_100011214892 [0,1,0,0,1,0|2,0,0]=4 3160 B16R1.6893 Cc1ccc(s1)C=CC(=O)NCCC(C)C 11a_100000210545_100102558089 [0,1,0,0,1,0|2,0,0]=4 3161 B16R1.6893 Cc1ccc(s1)C=CC(=O)NCCC(C)C 1626a_100000210545_100102558089 [0,1,0,0,1,0|2,0,0]=4 3162 B16R1.6893 Cc1ccc(s1)C=CC(=O)NCCC(C)C 240690a_100000210545_100102558089 [0,1,0,0,1,0|2,0,0]=4 3163 B16R1.7568 Cc1ccsc1C=CC(=O)CCCC(C)C 1458a_100000185125_100011214892 [0,1,0,0,1,0|2,0,0]=4 3164 B16R1.7568 Cc1ccsc1C=CC(=O)NCCC(C)C 11a_100000210545_100000185125 [0,1,0,0,1,0|2,0,0]=4 3165 B16R1.7568 Cc1ccsc1C=CC(=O)NCCC(C)C 1626a_100000210545_100000185125 [0,1,0,0,1,0|2,0,0]=4 3166 B16R1.7568 Cc1ccsc1C=CC(=O)NCCC(C)C 240690a_100000210545_100000185125 [0,1,0,0,1,0|2,0,0]=4 3167 B16R1.7568 Cc1ccsc1C=CC(=O)NCCC(C)C 527a_100000210545_100000185125 [0,1,0,0,1,0|2,0,0]=4 3168 B16R1.7612 CC(=Cc1ccco1)C(=O)CCCC(C)C 1458a_100011995979_100011214892 [0,1,0,0,1,0|2,0,0]=4 3169 B16R1.7612 CC(=Cc1ccco1)C(=O)NCCC(C)C 11a_100000210545_100011995979 [0,1,0,0,1,0|2,0,0]=4 3170 B16R1.7612 CC(=Cc1ccco1)C(=O)NCCC(C)C 1626a_100000210545_100011995979 [0,1,0,0,1,0|2,0,0]=4 3171 B16R1.7612 CC(=Cc1ccco1)C(=O)NCCC(C)C 527a_100000210545_100011995979 [0,1,0,0,1,0|2,0,0]=4 3172 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1cccs1 11a_100000692259_100000182767 [0,1,0,0,1,0|2,0,0]=4 3173 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1cccs1 1626a_100000692259_100000182767 [0,1,0,0,1,0|2,0,0]=4 3174 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1cccs1 240690a_100000692259_100000182767 [0,1,0,0,1,0|2,0,0]=4 3175 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1ccoc1 11a_100000692259_100000238621 [0,1,0,0,1,0|2,0,0]=4 3176 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1ccoc1 1626a_100000692259_100000238621 [0,1,0,0,1,0|2,0,0]=4 3177 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1ccoc1 240690a_100000692259_100000238621 [0,1,0,0,1,0|2,0,0]=4 3178 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1ccsc1 11a_100000692259_100000698588 [0,1,0,0,1,0|2,0,0]=4 3179 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1ccsc1 1626a_100000692259_100000698588 [0,1,0,0,1,0|2,0,0]=4 3180 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1ccsc1 240690a_100000692259_100000698588 [0,1,0,0,1,0|2,0,0]=4 3181 B16R1.12466 CC(C)CC(C)NC(=O)C=Cc1ccsc1 527a_100000692259_100000698588 [0,1,0,0,1,0|2,0,0]=4 3182 B16R1.12543 CC(C)C(O)CNC(=O)C=Cc1cccs1 11a_100000759067_100000182767 [0,1,0,0,1,0|2,0,0]=4 3183 B16R1.12543 CC(C)C(O)CNC(=O)C=Cc1cccs1 240690a_100000759067_100000182767 [0,1,0,0,1,0|2,0,0]=4 3184 B16R1.12543 CC(C)C(O)CNC(=O)C=Cc1ccoc1 11a_100000759067_100000238621 [0,1,0,0,1,0|2,0,0]=4 3185 B16R1.12543 CC(C)C(O)CNC(=O)C=Cc1ccoc1 240690a_100000759067_100000238621 [0,1,0,0,1,0|2,0,0]=4 3186 B16R1.12543 CC(C)C(O)CNC(=O)C=Cc1ccsc1 11a_100000759067_100000698588 [0,1,0,0,1,0|2,0,0]=4 3187 B16R1.12543 CC(C)C(O)CNC(=O)C=Cc1ccsc1 240690a_100000759067_100000698588 [0,1,0,0,1,0|2,0,0]=4 3188 B16R1.12543 CC(C)C(O)CNC(=O)C=Cc1ccsc1 527a_100000759067_100000698588 [0,1,0,0,1,0|2,0,0]=4 3189 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1cccs1 11a_100000738805_100000182767 [0,1,0,0,1,0|2,0,0]=4 3190 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1cccs1 1626a_100000738805_100000182767 [0,1,0,0,1,0|2,0,0]=4 3191 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1cccs1 240690a_100000738805_100000182767 [0,1,0,0,1,0|2,0,0]=4 3192 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1ccoc1 11a_100000738805_100000238621 [0,1,0,0,1,0|2,0,0]=4 3193 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1ccoc1 1626a_100000738805_100000238621 [0,1,0,0,1,0|2,0,0]=4 3194 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1ccoc1 240690a_100000738805_100000238621 [0,1,0,0,1,0|2,0,0]=4 3195 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1ccsc1 11a_100000738805_100000698588 [0,1,0,0,1,0|2,0,0]=4 3196 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1ccsc1 1626a_100000738805_100000698588 [0,1,0,0,1,0|2,0,0]=4 3197 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1ccsc1 240690a_100000738805_100000698588 [0,1,0,0,1,0|2,0,0]=4 3198 B16R1.26712 CC(C)(C)CCNC(=O)C=Cc1ccsc1 527a_100000738805_100000698588 [0,1,0,0,1,0|2,0,0]=4 3199 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1cccs1 11a_100016253952_100000182767 [0,1,0,0,1,0|2,0,0]=4 3200 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1cccs1 1626a_100016253952_100000182767 [0,1,0,0,1,0|2,0,0]=4 3201 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1cccs1 240690a_100016253952_100000182767 [0,1,0,0,1,0|2,0,0]=4 3202 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1ccoc1 11a_100016253952_100000238621 [0,1,0,0,1,0|2,0,0]=4 3203 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1ccoc1 1626a_100016253952_100000238621 [0,1,0,0,1,0|2,0,0]=4 3204 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1ccoc1 240690a_100016253952_100000238621 [0,1,0,0,1,0|2,0,0]=4 3205 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1ccsc1 11a_100016253952_100000698588 [0,1,0,0,1,0|2,0,0]=4 3206 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1ccsc1 1626a_100016253952_100000698588 [0,1,0,0,1,0|2,0,0]=4 3207 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1ccsc1 240690a_100016253952_100000698588 [0,1,0,0,1,0|2,0,0]=4 3208 B16R1.26712 CC(C)(F)CCNC(=O)C=Cc1ccsc1 527a_100016253952_100000698588 [0,1,0,0,1,0|2,0,0]=4 3209 B16R1.26712 CC(C)(O)CCNC(=O)C=Cc1cccs1 1626a_100000707701_100000182767 [0,1,0,0,1,0|2,0,0]=4 3210 B16R1.26712 CC(C)(O)CCNC(=O)C=Cc1ccoc1 1626a_100000707701_100000238621 [0,1,0,0,1,0|2,0,0]=4 3211 B16R1.26712 CC(C)(O)CCNC(=O)C=Cc1ccsc1 1626a_100000707701_100000698588 [0,1,0,0,1,0|2,0,0]=4 3212 B16R1.26712 CC(C)(O)CCNC(=O)C=Cc1ccsc1 527a_100000707701_100000698588 [0,1,0,0,1,0|2,0,0]=4 3213 B16R1.613 C=C(C(=O)CCCC(C)C)c1ccccc1 1458a_100000065200_100011214892 [0,1,0,0,1,0|1,0,0]=3 3214 B16R1.613 C=C(C(=O)CCCC(C)O)c1ccccc1 1458a_100000065200_200000718107 [0,1,0,0,1,0|2,0,0]=4 3215 B16R1.613 C=C(C(=O)CCCN(C)C)c1ccccc1 1458a_100000065200_100000695564 [0,1,0,0,1,0|2,0,0]=4 3216 B16R1.613 C=C(C(=O)CCOC(C)C)c1ccccc1 1458a_100000065200_100000211751 [0,1,0,0,1,0|2,0,0]=4 3217 B16R1.613 C=C(C(=O)CCSC(C)C)c1ccccc1 1458a_100000065200_100000730970 [0,1,0,0,1,0|2,0,0]=4 3218 B16R1.613 C=C(C(=O)NCCC(C)C)c1ccccc1 1626a_100000210545_100000065200 [0,1,0,0,1,0|1,0,0]=3 3219 B16R1.613 C=C(C(=O)NNCC(C)C)c1ccccc1 22a_100000696102_100000065200 [0,1,0,0,1,0|2,0,0]=4 3220 B16R1.613 CC(C)CCCC(=O)C(C)c1ccccc1 1458a_100011216857_100000230085 [0,1,0,0,1,0|1,0,1]=4 3221 B16R1.613 CC(C)CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100011214892 [0,1,0,0,1,0|1,0,1]=4 3222 B16R1.613 CC(C)CCCC(=O)N(C)c1ccccc1 11a_100000210012_100011216857 [0,1,0,0,1,0|2,0,0]=4 3223 B16R1.613 CC(C)CCCC(=O)N(C)c1ccccc1 1626a_100000210012_100011216857 [0,1,0,0,1,0|2,0,0]=4 3224 B16R1.613 CC(C)CCCC(=O)N(C)c1ccccc1 22a_100000210012_100011216857 [0,1,0,0,1,0|2,0,0]=4 3225 B16R1.613 CC(C)CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100011214892 [0,1,0,0,1,0|1,0,1]=4 3226 B16R1.613 CC(C)CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100011214892 [0,1,0,0,1,0|1,0,1]=4 3227 B16R1.613 CC(C)CCNC(=O)C(F)c1ccccc1 11a_100000210545_100000698975 [0,1,0,0,1,0|1,0,1]=4 3228 B16R1.613 CC(C)CCNC(=O)C(F)c1ccccc1 1626a_100000210545_100000698975 [0,1,0,0,1,0|1,0,1]=4 3229 B16R1.613 CC(C)CCNC(=O)C(F)c1ccccc1 240690a_100000210545_100000698975 [0,1,0,0,1,0|1,0,1]=4 3230 B16R1.613 CC(C)CCNC(=O)C(F)c1ccccc1 527a_100000210545_100000698975 [0,1,0,0,1,0|1,0,1]=4 3231 B16R1.613 CC(C)CCNC(=O)N(C)c1ccccc1 512a_100000210545_100000210012 [0,1,0,0,1,0|2,0,0]=4 3232 B16R1.613 CC(C)CCNC(=O)[C@@H](C)c1ccccc1 11a_100000210545_100000751047 [0,1,0,0,1,0|1,0,1]=4 3233 B16R1.613 CC(C)CCNC(=O)[C@@H](C)c1ccccc1 1626a_100000210545_100000751047 [0,1,0,0,1,0|1,0,1]=4 3234 B16R1.613 CC(C)CCNC(=O)[C@@H](C)c1ccccc1 240690a_100000210545_100000751047 [0,1,0,0,1,0|1,0,1]=4 3235 B16R1.613 CC(C)CCNC(=O)[C@@H](C)c1ccccc1 527a_100000210545_100000751047 [0,1,0,0,1,0|1,0,1]=4 3236 B16R1.613 CC(C)CCNC(=O)[C@H](O)c1ccccc1 240690a_100000210545_100000684486 [0,1,0,0,1,0|1,0,1]=4 3237 B16R1.613 CC(C)CCOC(C)C(=O)c1ccccc1 7a_100000210254_100000239700 [0,1,0,0,1,0|1,0,1]=4 3238 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100011214892 [0,1,0,0,1,0|1,0,1]=4 3239 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)Br 1458a_100011216857_100000189115 [0,1,0,0,1,0|1,0,1]=4 3240 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100011214892 [0,1,0,0,1,0|1,0,1]=4 3241 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)Cl 1458a_100011216857_100000694040 [0,1,0,0,1,0|1,0,1]=4 3242 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100011214892 [0,1,0,0,1,0|1,0,1]=4 3243 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)F 1458a_100011216857_100000198546 [0,1,0,0,1,0|1,0,1]=4 3244 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100011214892 [0,1,0,0,1,0|1,0,1]=4 3245 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)I 1458a_100011216857_100000189116 [0,1,0,0,1,0|1,0,1]=4 3246 B16R1.1067 CC(C)CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100011214892 [0,1,0,0,1,0|1,0,1]=4 3247 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100011216857 [0,1,0,0,1,0|2,0,0]=4 3248 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100011216857 [0,1,0,0,1,0|2,0,0]=4 3249 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100011216857 [0,1,0,0,1,0|2,0,0]=4 3250 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100011216857 [0,1,0,0,1,0|2,0,0]=4 3251 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100011216857 [0,1,0,0,1,0|2,0,0]=4 3252 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100011216857 [0,1,0,0,1,0|2,0,0]=4 3253 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011216857 [0,1,0,0,1,0|2,0,0]=4 3254 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100011216857 [0,1,0,0,1,0|2,0,0]=4 3255 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100011216857 [0,1,0,0,1,0|2,0,0]=4 3256 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100011216857 [0,1,0,0,1,0|2,0,0]=4 3257 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100011216857 [0,1,0,0,1,0|2,0,0]=4 3258 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100011216857 [0,1,0,0,1,0|2,0,0]=4 3259 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100011216857 [0,1,0,0,1,0|2,0,0]=4 3260 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100011216857 [0,1,0,0,1,0|2,0,0]=4 3261 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100011216857 [0,1,0,0,1,0|2,0,0]=4 3262 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100011216857 [0,1,0,0,1,0|2,0,0]=4 3263 B16R1.1067 CC(C)CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100011216857 [0,1,0,0,1,0|2,0,0]=4 3264 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Br 11a_100000210545_100000198978 [0,1,0,0,1,0|1,0,1]=4 3265 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Br 240690a_100000210545_100000198978 [0,1,0,0,1,0|1,0,1]=4 3266 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Br 527a_100000210545_100000198978 [0,1,0,0,1,0|1,0,1]=4 3267 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Cl 11a_100000210545_100000211027 [0,1,0,0,1,0|1,0,1]=4 3268 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Cl 240690a_100000210545_100000211027 [0,1,0,0,1,0|1,0,1]=4 3269 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)Cl 527a_100000210545_100000211027 [0,1,0,0,1,0|1,0,1]=4 3270 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F 11a_100000210545_100000210951 [0,1,0,0,1,0|1,0,1]=4 3271 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F 1626a_100000210545_100000210951 [0,1,0,0,1,0|1,0,1]=4 3272 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F 240690a_100000210545_100000210951 [0,1,0,0,1,0|1,0,1]=4 3273 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)F 527a_100000210545_100000210951 [0,1,0,0,1,0|1,0,1]=4 3274 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)I 11a_100000210545_100000688869 [0,1,0,0,1,0|1,0,1]=4 3275 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)I 1626a_100000210545_100000688869 [0,1,0,0,1,0|1,0,1]=4 3276 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)I 240690a_100000210545_100000688869 [0,1,0,0,1,0|1,0,1]=4 3277 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)I 527a_100000210545_100000688869 [0,1,0,0,1,0|1,0,1]=4 3278 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)O 1626a_100000210545_100000198540 [0,1,0,0,1,0|1,0,1]=4 3279 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)O 240690a_100000210545_100000198540 [0,1,0,0,1,0|1,0,1]=4 3280 B16R1.1067 CC(C)CCNC(=O)Cc1ccc(cc1)O 527a_100000210545_100000198540 [0,1,0,0,1,0|1,0,1]=4 3281 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100000210545 [0,1,0,0,1,0|2,0,0]=4 3282 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100000210545 [0,1,0,0,1,0|2,0,0]=4 3283 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100000210545 [0,1,0,0,1,0|2,0,0]=4 3284 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100000210545 [0,1,0,0,1,0|2,0,0]=4 3285 B16R1.1067 CC(C)CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100000210545 [0,1,0,0,1,0|2,0,0]=4 3286 B16R1.1067 Cc1ccc(cc1)CC(=O)CCCC(C)C 1458a_100000212244_100011214892 [0,1,0,0,1,0|1,0,1]=4 3287 B16R1.1067 Cc1ccc(cc1)CC(=O)CCCC(C)C 1458a_100011216857_100000210814 [0,1,0,0,1,0|1,0,1]=4 3288 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)C 11a_100000210545_100000212244 [0,1,0,0,1,0|1,0,1]=4 3289 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)C 240690a_100000210545_100000212244 [0,1,0,0,1,0|1,0,1]=4 3290 B16R1.1067 Cc1ccc(cc1)CC(=O)NCCC(C)C 527a_100000210545_100000212244 [0,1,0,0,1,0|1,0,1]=4 3291 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)C 11a_100000124888_100011216857 [0,1,0,0,1,0|2,0,0]=4 3292 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)C 1626a_100000124888_100011216857 [0,1,0,0,1,0|2,0,0]=4 3293 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)C 22a_100000124888_100011216857 [0,1,0,0,1,0|2,0,0]=4 3294 B16R1.1067 Cc1ccc(cc1)NC(=O)CCCC(C)C 527a_100000124888_100011216857 [0,1,0,0,1,0|2,0,0]=4 3295 B16R1.1067 Cc1ccc(cc1)NC(=O)NCCC(C)C 2430a_100000124888_100000210545 [0,1,0,0,1,0|2,0,0]=4 3296 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)CCC(C)C 1458a_100016990649_100000210312 [0,1,0,0,1,0|2,0,0]=4 3297 B16R1.1284 CC(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210312 [0,1,0,0,1,0|2,0,0]=4 3298 B16R1.1284 CC(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210312 [0,1,0,0,1,0|2,0,0]=4 3299 B16R1.1284 CC(C)CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210312 [0,1,0,0,1,0|2,0,0]=4 3300 B16R1.1284 CC(C)CCN(C)C(=O)Nc1ccccc1 2430a_100000106764_100000742789 [0,1,0,0,1,0|2,0,0]=4 3301 B16R1.1329 CC(CO)CCNC(=O)Nc1ccccc1 2430a_100000106764_106354213184 [0,1,0,0,1,0|2,0,0]=4 3302 B16R1.1329 CCC(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100020591266 [0,1,0,0,1,0|2,0,0]=4 3303 B16R1.4132 CC(C)C(O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000759067 [0,1,0,0,1,0|2,0,0]=4 3304 B16R1.6940 CC(C)CC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100000692259 [0,1,0,0,1,0|2,0,0]=4 3305 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100011214892 [0,1,0,0,1,0|1,0,1]=4 3306 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1Br 1458a_100011216857_100000184730 [0,1,0,0,1,0|1,0,1]=4 3307 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100011214892 [0,1,0,0,1,0|1,0,1]=4 3308 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1Cl 1458a_100011216857_100000187162 [0,1,0,0,1,0|1,0,1]=4 3309 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1F 1458a_100000212012_100011214892 [0,1,0,0,1,0|1,0,1]=4 3310 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1F 1458a_100011216857_100000187165 [0,1,0,0,1,0|1,0,1]=4 3311 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1I 1458a_100000036491_100011214892 [0,1,0,0,1,0|1,0,1]=4 3312 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1I 1458a_100011216857_100011216222 [0,1,0,0,1,0|1,0,1]=4 3313 B16R1.7414 CC(C)CCCC(=O)Cc1ccccc1O 1458a_100000743006_100011214892 [0,1,0,0,1,0|1,0,1]=4 3314 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Br 11a_100000210017_100011216857 [0,1,0,0,1,0|2,0,0]=4 3315 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Br 1626a_100000210017_100011216857 [0,1,0,0,1,0|2,0,0]=4 3316 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100011216857 [0,1,0,0,1,0|2,0,0]=4 3317 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100011216857 [0,1,0,0,1,0|2,0,0]=4 3318 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100011216857 [0,1,0,0,1,0|2,0,0]=4 3319 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100011216857 [0,1,0,0,1,0|2,0,0]=4 3320 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1F 11a_100000210422_100011216857 [0,1,0,0,1,0|2,0,0]=4 3321 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1F 1626a_100000210422_100011216857 [0,1,0,0,1,0|2,0,0]=4 3322 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1F 22a_100000210422_100011216857 [0,1,0,0,1,0|2,0,0]=4 3323 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1F 527a_100000210422_100011216857 [0,1,0,0,1,0|2,0,0]=4 3324 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1I 11a_100000210053_100011216857 [0,1,0,0,1,0|2,0,0]=4 3325 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1I 1626a_100000210053_100011216857 [0,1,0,0,1,0|2,0,0]=4 3326 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1O 22a_100000185747_100011216857 [0,1,0,0,1,0|2,0,0]=4 3327 B16R1.7414 CC(C)CCCC(=O)Nc1ccccc1O 527a_100000185747_100011216857 [0,1,0,0,1,0|2,0,0]=4 3328 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Br 11a_100000210545_100000751119 [0,1,0,0,1,0|1,0,1]=4 3329 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Br 240690a_100000210545_100000751119 [0,1,0,0,1,0|1,0,1]=4 3330 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Br 527a_100000210545_100000751119 [0,1,0,0,1,0|1,0,1]=4 3331 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl 11a_100000210545_100000183793 [0,1,0,0,1,0|1,0,1]=4 3332 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl 1626a_100000210545_100000183793 [0,1,0,0,1,0|1,0,1]=4 3333 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl 240690a_100000210545_100000183793 [0,1,0,0,1,0|1,0,1]=4 3334 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1Cl 527a_100000210545_100000183793 [0,1,0,0,1,0|1,0,1]=4 3335 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F 11a_100000210545_100000212012 [0,1,0,0,1,0|1,0,1]=4 3336 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F 1626a_100000210545_100000212012 [0,1,0,0,1,0|1,0,1]=4 3337 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F 240690a_100000210545_100000212012 [0,1,0,0,1,0|1,0,1]=4 3338 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1F 527a_100000210545_100000212012 [0,1,0,0,1,0|1,0,1]=4 3339 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I 11a_100000210545_100000036491 [0,1,0,0,1,0|1,0,1]=4 3340 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I 1626a_100000210545_100000036491 [0,1,0,0,1,0|1,0,1]=4 3341 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I 240690a_100000210545_100000036491 [0,1,0,0,1,0|1,0,1]=4 3342 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1I 527a_100000210545_100000036491 [0,1,0,0,1,0|1,0,1]=4 3343 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1O 240690a_100000210545_100000743006 [0,1,0,0,1,0|1,0,1]=4 3344 B16R1.7414 CC(C)CCNC(=O)Cc1ccccc1O 527a_100000210545_100000743006 [0,1,0,0,1,0|1,0,1]=4 3345 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100000210545 [0,1,0,0,1,0|2,0,0]=4 3346 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100000210545 [0,1,0,0,1,0|2,0,0]=4 3347 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1F 2430a_100000210422_100000210545 [0,1,0,0,1,0|2,0,0]=4 3348 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1I 2430a_100000210053_100000210545 [0,1,0,0,1,0|2,0,0]=4 3349 B16R1.7414 CC(C)CCNC(=O)Nc1ccccc1O 2430a_100000185747_100000210545 [0,1,0,0,1,0|2,0,0]=4 3350 B16R1.7414 CN(C)CCOC(=O)Nc1ccccc1Br 269982a_100102631434_100020589338 [0,1,0,0,1,0|2,0,0]=4 3351 B16R1.7414 CN(C)CCOC(=O)Nc1ccccc1Cl 269982a_100102631434_200000178450 [0,1,0,0,1,0|2,0,0]=4 3352 B16R1.7414 Cc1ccccc1CC(=O)CCCC(C)C 1458a_100000212180_100011214892 [0,1,0,0,1,0|1,0,1]=4 3353 B16R1.7414 Cc1ccccc1CC(=O)CCCC(C)C 1458a_100011216857_100000211839 [0,1,0,0,1,0|1,0,1]=4 3354 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C 11a_100000210545_100000212180 [0,1,0,0,1,0|1,0,1]=4 3355 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C 1626a_100000210545_100000212180 [0,1,0,0,1,0|1,0,1]=4 3356 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C 240690a_100000210545_100000212180 [0,1,0,0,1,0|1,0,1]=4 3357 B16R1.7414 Cc1ccccc1CC(=O)NCCC(C)C 527a_100000210545_100000212180 [0,1,0,0,1,0|1,0,1]=4 3358 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C 11a_100015192222_100011216857 [0,1,0,0,1,0|2,0,0]=4 3359 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C 1626a_100015192222_100011216857 [0,1,0,0,1,0|2,0,0]=4 3360 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C 22a_100015192222_100011216857 [0,1,0,0,1,0|2,0,0]=4 3361 B16R1.7414 Cc1ccccc1NC(=O)CCCC(C)C 527a_100015192222_100011216857 [0,1,0,0,1,0|2,0,0]=4 3362 B16R1.7414 Cc1ccccc1NC(=O)NCCC(C)C 2430a_100015192222_100000210545 [0,1,0,0,1,0|2,0,0]=4 3363 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100011214892 [0,1,0,0,1,0|1,0,1]=4 3364 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)Br 1458a_100011216857_100000211773 [0,1,0,0,1,0|1,0,1]=4 3365 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100011214892 [0,1,0,0,1,0|1,0,1]=4 3366 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)Cl 1458a_100011216857_100000181238 [0,1,0,0,1,0|1,0,1]=4 3367 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100011214892 [0,1,0,0,1,0|1,0,1]=4 3368 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)F 1458a_100011216857_100000230114 [0,1,0,0,1,0|1,0,1]=4 3369 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100011214892 [0,1,0,0,1,0|1,0,1]=4 3370 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)I 1458a_100011216857_100011218688 [0,1,0,0,1,0|1,0,1]=4 3371 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100011214892 [0,1,0,0,1,0|1,0,1]=4 3372 B16R1.11236 CC(C)CCCC(=O)Cc1cccc(c1)O 1458a_100011216857_100011660834 [0,1,0,0,1,0|1,0,1]=4 3373 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100011216857 [0,1,0,0,1,0|2,0,0]=4 3374 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100011216857 [0,1,0,0,1,0|2,0,0]=4 3375 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100011216857 [0,1,0,0,1,0|2,0,0]=4 3376 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100011216857 [0,1,0,0,1,0|2,0,0]=4 3377 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100011216857 [0,1,0,0,1,0|2,0,0]=4 3378 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100011216857 [0,1,0,0,1,0|2,0,0]=4 3379 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100011216857 [0,1,0,0,1,0|2,0,0]=4 3380 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)F 11a_100000210047_100011216857 [0,1,0,0,1,0|2,0,0]=4 3381 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100011216857 [0,1,0,0,1,0|2,0,0]=4 3382 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100011216857 [0,1,0,0,1,0|2,0,0]=4 3383 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)F 527a_100000210047_100011216857 [0,1,0,0,1,0|2,0,0]=4 3384 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I 11a_100000211102_100011216857 [0,1,0,0,1,0|2,0,0]=4 3385 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100011216857 [0,1,0,0,1,0|2,0,0]=4 3386 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100011216857 [0,1,0,0,1,0|2,0,0]=4 3387 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)I 527a_100000211102_100011216857 [0,1,0,0,1,0|2,0,0]=4 3388 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100011216857 [0,1,0,0,1,0|2,0,0]=4 3389 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100011216857 [0,1,0,0,1,0|2,0,0]=4 3390 B16R1.11236 CC(C)CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100011216857 [0,1,0,0,1,0|2,0,0]=4 3391 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Br 11a_100000210545_100000747190 [0,1,0,0,1,0|1,0,1]=4 3392 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Br 240690a_100000210545_100000747190 [0,1,0,0,1,0|1,0,1]=4 3393 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Br 527a_100000210545_100000747190 [0,1,0,0,1,0|1,0,1]=4 3394 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl 11a_100000210545_100000749307 [0,1,0,0,1,0|1,0,1]=4 3395 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl 1626a_100000210545_100000749307 [0,1,0,0,1,0|1,0,1]=4 3396 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl 240690a_100000210545_100000749307 [0,1,0,0,1,0|1,0,1]=4 3397 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)Cl 527a_100000210545_100000749307 [0,1,0,0,1,0|1,0,1]=4 3398 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F 11a_100000210545_100000211661 [0,1,0,0,1,0|1,0,1]=4 3399 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F 1626a_100000210545_100000211661 [0,1,0,0,1,0|1,0,1]=4 3400 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F 240690a_100000210545_100000211661 [0,1,0,0,1,0|1,0,1]=4 3401 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)F 527a_100000210545_100000211661 [0,1,0,0,1,0|1,0,1]=4 3402 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)I 11a_100000210545_100000238430 [0,1,0,0,1,0|1,0,1]=4 3403 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)I 1626a_100000210545_100000238430 [0,1,0,0,1,0|1,0,1]=4 3404 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)I 240690a_100000210545_100000238430 [0,1,0,0,1,0|1,0,1]=4 3405 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)I 527a_100000210545_100000238430 [0,1,0,0,1,0|1,0,1]=4 3406 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)O 240690a_100000210545_100000745134 [0,1,0,0,1,0|1,0,1]=4 3407 B16R1.11236 CC(C)CCNC(=O)Cc1cccc(c1)O 527a_100000210545_100000745134 [0,1,0,0,1,0|1,0,1]=4 3408 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100000210545 [0,1,0,0,1,0|2,0,0]=4 3409 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000210545 [0,1,0,0,1,0|2,0,0]=4 3410 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100000210545 [0,1,0,0,1,0|2,0,0]=4 3411 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100000210545 [0,1,0,0,1,0|2,0,0]=4 3412 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)F 512a_100000210047_100000210545 [0,1,0,0,1,0|2,0,0]=4 3413 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100000210545 [0,1,0,0,1,0|2,0,0]=4 3414 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)I 512a_100000211102_100000210545 [0,1,0,0,1,0|2,0,0]=4 3415 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100000210545 [0,1,0,0,1,0|2,0,0]=4 3416 B16R1.11236 CC(C)CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100000210545 [0,1,0,0,1,0|2,0,0]=4 3417 B16R1.11236 CN(C)CCOC(=O)Nc1cccc(c1)Br 269982a_100102631434_100015757870 [0,1,0,0,1,0|2,0,0]=4 3418 B16R1.11236 Cc1cccc(c1)CC(=O)CCCC(C)C 1458a_100011206899_100011214892 [0,1,0,0,1,0|1,0,1]=4 3419 B16R1.11236 Cc1cccc(c1)CC(=O)CCCC(C)C 1458a_100011216857_100000211840 [0,1,0,0,1,0|1,0,1]=4 3420 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C 11a_100000210545_100011206899 [0,1,0,0,1,0|1,0,1]=4 3421 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C 1626a_100000210545_100011206899 [0,1,0,0,1,0|1,0,1]=4 3422 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C 240690a_100000210545_100011206899 [0,1,0,0,1,0|1,0,1]=4 3423 B16R1.11236 Cc1cccc(c1)CC(=O)NCCC(C)C 527a_100000210545_100011206899 [0,1,0,0,1,0|1,0,1]=4 3424 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C 11a_100000188690_100011216857 [0,1,0,0,1,0|2,0,0]=4 3425 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C 1626a_100000188690_100011216857 [0,1,0,0,1,0|2,0,0]=4 3426 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C 22a_100000188690_100011216857 [0,1,0,0,1,0|2,0,0]=4 3427 B16R1.11236 Cc1cccc(c1)NC(=O)CCCC(C)C 527a_100000188690_100011216857 [0,1,0,0,1,0|2,0,0]=4 3428 B16R1.11236 Cc1cccc(c1)NC(=O)NCCC(C)C 2430a_100000188690_100000210545 [0,1,0,0,1,0|2,0,0]=4 3429 B16R1.11236 Cc1cccc(c1)NC(=O)NCCC(C)C 512a_100000188690_100000210545 [0,1,0,0,1,0|2,0,0]=4 3430 B16R1.59031 CC(C)(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000738805 [0,1,0,0,1,0|2,0,0]=4 3431 B16R1.59031 CC(C)(F)CCNC(=O)Nc1ccccc1 2430a_100000106764_100016253952 [0,1,0,0,1,0|2,0,0]=4 3432 B16R1.59031 CC(C)(O)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000707701 [0,1,0,0,1,0|2,0,0]=4 3433 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000730704 [0,1,0,0,1,0|0,0,2]=4 3434 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000730704 [0,1,0,0,1,0|0,0,2]=4 3435 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000730704 [0,1,0,0,1,0|0,0,2]=4 3436 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000730704 [0,1,0,0,1,0|0,0,2]=4 3437 B16R1.400 CC(=CCC(=O)C=Cc1ccccc1Br)C 1458a_100000719032_100000761012 [0,1,0,0,1,0|0,0,2]=4 3438 B16R1.400 CC(=CCC(=O)C=Cc1ccccc1Cl)C 1458a_100000720304_100000761012 [0,1,0,0,1,0|0,0,2]=4 3439 B16R1.400 CC(=CCC(=O)C=Cc1ccccc1F)C 1458a_100016256065_100000761012 [0,1,0,0,1,0|0,0,2]=4 3440 B16R1.400 CC(=CCC(=O)C=Cc1ccccc1O)C 1458a_100016263591_100000761012 [0,1,0,0,1,0|0,0,2]=4 3441 B16R1.400 CC(C)CCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210312 [0,1,0,0,1,0|0,0,2]=4 3442 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210312 [0,1,0,0,1,0|0,0,0]=2 3443 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210312 [0,1,0,0,1,0|0,0,0]=2 3444 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210312 [0,1,0,0,1,0|0,0,0]=2 3445 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210312 [0,1,0,0,1,0|0,0,0]=2 3446 B16R1.400 CC(C)CCC(=O)CCc1ccccc1Br 1458a_100000181311_100012161201 [0,1,0,0,1,0|0,0,2]=4 3447 B16R1.400 CC(C)CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210312 [0,1,0,0,1,0|0,0,2]=4 3448 B16R1.400 CC(C)CCC(=O)CCc1ccccc1Cl 1458a_100000181311_100011713703 [0,1,0,0,1,0|0,0,2]=4 3449 B16R1.400 CC(C)CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210312 [0,1,0,0,1,0|0,0,2]=4 3450 B16R1.400 CC(C)CCC(=O)CCc1ccccc1F 1458a_100000181311_100000720011 [0,1,0,0,1,0|0,0,2]=4 3451 B16R1.400 CC(C)CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210312 [0,1,0,0,1,0|0,0,2]=4 3452 B16R1.400 CC(C)CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210312 [0,1,0,0,1,0|0,0,2]=4 3453 B16R1.400 CC(C)CCC(=O)CCc1ccccc1O 1458a_100000181311_100000722297 [0,1,0,0,1,0|0,0,2]=4 3454 B16R1.400 CC(C)CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210312 [0,1,0,0,1,0|0,0,2]=4 3455 B16R1.400 CC(C)CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210312 [0,1,0,0,1,0|1,0,1]=4 3456 B16R1.400 CC(C)CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210312 [0,1,0,0,1,0|1,0,1]=4 3457 B16R1.400 CC(C)CCC(=O)COc1ccccc1F 1458a_100000182486_100000210312 [0,1,0,0,1,0|1,0,1]=4 3458 B16R1.400 CC(C)CCC(=O)COc1ccccc1O 1458a_100000183020_100000210312 [0,1,0,0,1,0|1,0,1]=4 3459 B16R1.400 CC(C)CCC(=O)CSc1ccccc1F 1458a_100000179528_100000210312 [0,1,0,0,1,0|1,0,1]=4 3460 B16R1.400 CC(C)CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210312 [0,1,0,0,1,0|1,0,1]=4 3461 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br 11a_100000689332_100000181311 [0,1,0,0,1,0|1,0,1]=4 3462 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br 1626a_100000689332_100000181311 [0,1,0,0,1,0|1,0,1]=4 3463 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br 240690a_100000689332_100000181311 [0,1,0,0,1,0|1,0,1]=4 3464 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br 527a_100000689332_100000181311 [0,1,0,0,1,0|1,0,1]=4 3465 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl 11a_100000174879_100000181311 [0,1,0,0,1,0|1,0,1]=4 3466 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000181311 [0,1,0,0,1,0|1,0,1]=4 3467 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000181311 [0,1,0,0,1,0|1,0,1]=4 3468 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl 527a_100000174879_100000181311 [0,1,0,0,1,0|1,0,1]=4 3469 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F 11a_100000174869_100000181311 [0,1,0,0,1,0|1,0,1]=4 3470 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F 1626a_100000174869_100000181311 [0,1,0,0,1,0|1,0,1]=4 3471 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F 240690a_100000174869_100000181311 [0,1,0,0,1,0|1,0,1]=4 3472 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F 527a_100000174869_100000181311 [0,1,0,0,1,0|1,0,1]=4 3473 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I 11a_100015347259_100000181311 [0,1,0,0,1,0|1,0,1]=4 3474 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I 1626a_100015347259_100000181311 [0,1,0,0,1,0|1,0,1]=4 3475 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I 240690a_100015347259_100000181311 [0,1,0,0,1,0|1,0,1]=4 3476 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I 527a_100015347259_100000181311 [0,1,0,0,1,0|1,0,1]=4 3477 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O 240690a_100000185550_100000181311 [0,1,0,0,1,0|1,0,1]=4 3478 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O 527a_100000185550_100000181311 [0,1,0,0,1,0|1,0,1]=4 3479 B16R1.400 CC(C)CCC(=O)NNc1ccccc1Br 22a_100000241748_100000181311 [0,1,0,0,1,0|2,0,0]=4 3480 B16R1.400 CC(C)CCC(=O)NNc1ccccc1Cl 22a_100000683529_100000181311 [0,1,0,0,1,0|2,0,0]=4 3481 B16R1.400 CC(C)CCC(=O)NNc1ccccc1F 22a_100000239246_100000181311 [0,1,0,0,1,0|2,0,0]=4 3482 B16R1.400 CC(C)CCC(=O)NNc1ccccc1I 22a_100011218156_100000181311 [0,1,0,0,1,0|2,0,0]=4 3483 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 11a_100000210953_100000719032 [0,1,0,0,1,0|1,0,0]=3 3484 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 1626a_100000210953_100000719032 [0,1,0,0,1,0|1,0,0]=3 3485 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 240690a_100000210953_100000719032 [0,1,0,0,1,0|1,0,0]=3 3486 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 11a_100000210953_100000720304 [0,1,0,0,1,0|1,0,0]=3 3487 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100000210953_100000720304 [0,1,0,0,1,0|1,0,0]=3 3488 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100000210953_100000720304 [0,1,0,0,1,0|1,0,0]=3 3489 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 11a_100000210953_100016256065 [0,1,0,0,1,0|1,0,0]=3 3490 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 1626a_100000210953_100016256065 [0,1,0,0,1,0|1,0,0]=3 3491 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 240690a_100000210953_100016256065 [0,1,0,0,1,0|1,0,0]=3 3492 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1Br 22a_100000741168_100000719032 [0,1,0,0,1,0|2,0,0]=4 3493 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1Cl 22a_100000741168_100000720304 [0,1,0,0,1,0|2,0,0]=4 3494 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1F 22a_100000741168_100016256065 [0,1,0,0,1,0|2,0,0]=4 3495 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1O 22a_100000741168_100016263591 [0,1,0,0,1,0|2,0,0]=4 3496 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100012276601 [0,1,0,0,1,0|1,0,0]=3 3497 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100012276601 [0,1,0,0,1,0|1,0,0]=3 3498 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100012276601 [0,1,0,0,1,0|1,0,0]=3 3499 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100012276601 [0,1,0,0,1,0|1,0,0]=3 3500 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br 11a_100000210904_100000719032 [0,1,0,0,1,0|2,0,0]=4 3501 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br 240690a_100000210904_100000719032 [0,1,0,0,1,0|2,0,0]=4 3502 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Cl 11a_100000210904_100000720304 [0,1,0,0,1,0|2,0,0]=4 3503 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Cl 240690a_100000210904_100000720304 [0,1,0,0,1,0|2,0,0]=4 3504 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1F 11a_100000210904_100016256065 [0,1,0,0,1,0|2,0,0]=4 3505 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1F 240690a_100000210904_100016256065 [0,1,0,0,1,0|2,0,0]=4 3506 B16R1.400 Cc1ccccc1C=CC(=O)NCC(C)C 1626a_100000210953_100016266485 [0,1,0,0,1,0|1,0,0]=3 3507 B16R1.400 Cc1ccccc1C=CC(=O)NNC(C)C 22a_100000741168_100016266485 [0,1,0,0,1,0|2,0,0]=4 3508 B16R1.400 Cc1ccccc1CCC(=O)CCC(C)C 1458a_100000181311_100011713688 [0,1,0,0,1,0|0,0,2]=4 3509 B16R1.400 Cc1ccccc1CCC(=O)CCC(C)C 1458a_100000748742_100000210312 [0,1,0,0,1,0|0,0,2]=4 3510 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C 11a_100000174972_100000181311 [0,1,0,0,1,0|1,0,1]=4 3511 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C 1626a_100000174972_100000181311 [0,1,0,0,1,0|1,0,1]=4 3512 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C 240690a_100000174972_100000181311 [0,1,0,0,1,0|1,0,1]=4 3513 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C 527a_100000174972_100000181311 [0,1,0,0,1,0|1,0,1]=4 3514 B16R1.400 Cc1ccccc1NNC(=O)CCC(C)C 22a_100000184220_100000181311 [0,1,0,0,1,0|2,0,0]=4 3515 B16R1.400 Cc1ccccc1OCC(=O)CCC(C)C 1458a_100000182418_100000210312 [0,1,0,0,1,0|1,0,1]=4 3516 B16R1.400 Cc1ccccc1SCC(=O)CCC(C)C 1458a_100000183026_100000210312 [0,1,0,0,1,0|1,0,1]=4 3517 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000730704 [0,1,0,0,1,0|0,0,2]=4 3518 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000730704 [0,1,0,0,1,0|0,0,2]=4 3519 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000730704 [0,1,0,0,1,0|0,0,2]=4 3520 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000730704 [0,1,0,0,1,0|0,0,2]=4 3521 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000730704 [0,1,0,0,1,0|0,0,2]=4 3522 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)Br)C 1458a_100016267368_100000761012 [0,1,0,0,1,0|0,0,2]=4 3523 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)C)C 1458a_100000716854_100000761012 [0,1,0,0,1,0|0,0,2]=4 3524 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)Cl)C 1458a_100000184863_100000761012 [0,1,0,0,1,0|0,0,2]=4 3525 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)F)C 1458a_100000182136_100000761012 [0,1,0,0,1,0|0,0,2]=4 3526 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)I)C 1458a_100102526154_100000761012 [0,1,0,0,1,0|0,0,2]=4 3527 B16R1.1061 CC(C)CCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210312 [0,1,0,0,1,0|0,0,2]=4 3528 B16R1.1061 CC(C)CCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210312 [0,1,0,0,1,0|0,0,2]=4 3529 B16R1.1061 CC(C)CCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210312 [0,1,0,0,1,0|0,0,2]=4 3530 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210312 [0,1,0,0,1,0|0,0,0]=2 3531 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000210476 [0,1,0,0,1,0|0,0,0]=2 3532 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210312 [0,1,0,0,1,0|0,0,0]=2 3533 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210312 [0,1,0,0,1,0|0,0,0]=2 3534 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000210476 [0,1,0,0,1,0|0,0,0]=2 3535 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210312 [0,1,0,0,1,0|0,0,0]=2 3536 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000210476 [0,1,0,0,1,0|0,0,0]=2 3537 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000210476 [0,1,0,0,1,0|1,0,0]=3 3538 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210312 [0,1,0,0,1,0|1,0,0]=3 3539 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000210476 [0,1,0,0,1,0|1,0,0]=3 3540 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210312 [0,1,0,0,1,0|1,0,0]=3 3541 B16R1.1061 CC(C)CCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100000210476 [0,1,0,0,1,0|2,0,0]=4 3542 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)Br 1458a_100000181311_100011740612 [0,1,0,0,1,0|0,0,2]=4 3543 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210312 [0,1,0,0,1,0|0,0,2]=4 3544 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)Cl 1458a_100000181311_100011713675 [0,1,0,0,1,0|0,0,2]=4 3545 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210312 [0,1,0,0,1,0|0,0,2]=4 3546 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)F 1458a_100000181311_100011217392 [0,1,0,0,1,0|0,0,2]=4 3547 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210312 [0,1,0,0,1,0|0,0,2]=4 3548 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210312 [0,1,0,0,1,0|0,0,2]=4 3549 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)O 1458a_100000181311_100009816426 [0,1,0,0,1,0|0,0,2]=4 3550 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210312 [0,1,0,0,1,0|0,0,2]=4 3551 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210312 [0,1,0,0,1,0|1,0,1]=4 3552 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210312 [0,1,0,0,1,0|1,0,1]=4 3553 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210312 [0,1,0,0,1,0|1,0,1]=4 3554 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210312 [0,1,0,0,1,0|1,0,1]=4 3555 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210312 [0,1,0,0,1,0|1,0,1]=4 3556 B16R1.1061 CC(C)CCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210312 [0,1,0,0,1,0|1,0,1]=4 3557 B16R1.1061 CC(C)CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210312 [0,1,0,0,1,0|1,0,1]=4 3558 B16R1.1061 CC(C)CCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210312 [0,1,0,0,1,0|1,0,1]=4 3559 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000181311 [0,1,0,0,1,0|1,0,1]=4 3560 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000181311 [0,1,0,0,1,0|1,0,1]=4 3561 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000181311 [0,1,0,0,1,0|1,0,1]=4 3562 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000181311 [0,1,0,0,1,0|1,0,1]=4 3563 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000181311 [0,1,0,0,1,0|1,0,1]=4 3564 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000181311 [0,1,0,0,1,0|1,0,1]=4 3565 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000181311 [0,1,0,0,1,0|1,0,1]=4 3566 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000181311 [0,1,0,0,1,0|1,0,1]=4 3567 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000181311 [0,1,0,0,1,0|1,0,1]=4 3568 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000181311 [0,1,0,0,1,0|1,0,1]=4 3569 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000181311 [0,1,0,0,1,0|1,0,1]=4 3570 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000181311 [0,1,0,0,1,0|1,0,1]=4 3571 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000181311 [0,1,0,0,1,0|1,0,1]=4 3572 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000181311 [0,1,0,0,1,0|1,0,1]=4 3573 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000181311 [0,1,0,0,1,0|1,0,1]=4 3574 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000181311 [0,1,0,0,1,0|1,0,1]=4 3575 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000181311 [0,1,0,0,1,0|1,0,1]=4 3576 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000181311 [0,1,0,0,1,0|1,0,1]=4 3577 B16R1.1061 CC(C)CCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000181311 [0,1,0,0,1,0|2,0,0]=4 3578 B16R1.1061 CC(C)CCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000181311 [0,1,0,0,1,0|2,0,0]=4 3579 B16R1.1061 CC(C)CCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000181311 [0,1,0,0,1,0|2,0,0]=4 3580 B16R1.1061 CC(C)CCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000181311 [0,1,0,0,1,0|2,0,0]=4 3581 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000210953_100016267368 [0,1,0,0,1,0|1,0,0]=3 3582 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000210953_100016267368 [0,1,0,0,1,0|1,0,0]=3 3583 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210953_100000184863 [0,1,0,0,1,0|1,0,0]=3 3584 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000210953_100000184863 [0,1,0,0,1,0|1,0,0]=3 3585 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210953_100000184863 [0,1,0,0,1,0|1,0,0]=3 3586 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100000210953_100000182136 [0,1,0,0,1,0|1,0,0]=3 3587 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000210953_100000182136 [0,1,0,0,1,0|1,0,0]=3 3588 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000210953_100000182136 [0,1,0,0,1,0|1,0,0]=3 3589 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100000210953_100102526154 [0,1,0,0,1,0|1,0,0]=3 3590 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000210953_100102526154 [0,1,0,0,1,0|1,0,0]=3 3591 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000210953_100102526154 [0,1,0,0,1,0|1,0,0]=3 3592 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000210953_100016269017 [0,1,0,0,1,0|1,0,0]=3 3593 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cn1)F 11a_100000210953_100020630499 [0,1,0,0,1,0|2,0,0]=4 3594 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cn1)F 1626a_100000210953_100020630499 [0,1,0,0,1,0|2,0,0]=4 3595 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000210953_100020630499 [0,1,0,0,1,0|2,0,0]=4 3596 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(nc1)Br 11a_100000210953_100020588214 [0,1,0,0,1,0|2,0,0]=4 3597 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100000210953_100020588214 [0,1,0,0,1,0|2,0,0]=4 3598 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000210953_100020588214 [0,1,0,0,1,0|2,0,0]=4 3599 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)Br 22a_100000741168_100016267368 [0,1,0,0,1,0|2,0,0]=4 3600 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)Cl 22a_100000741168_100000184863 [0,1,0,0,1,0|2,0,0]=4 3601 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)F 22a_100000741168_100000182136 [0,1,0,0,1,0|2,0,0]=4 3602 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)I 22a_100000741168_100102526154 [0,1,0,0,1,0|2,0,0]=4 3603 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)O 22a_100000741168_100016269017 [0,1,0,0,1,0|2,0,0]=4 3604 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100012276601 [0,1,0,0,1,0|1,0,0]=3 3605 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100012276601 [0,1,0,0,1,0|1,0,0]=3 3606 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100012276601 [0,1,0,0,1,0|1,0,0]=3 3607 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100012276601 [0,1,0,0,1,0|1,0,0]=3 3608 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100012276601 [0,1,0,0,1,0|2,0,0]=4 3609 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100012276601 [0,1,0,0,1,0|2,0,0]=4 3610 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000210904_100016267368 [0,1,0,0,1,0|2,0,0]=4 3611 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210904_100000184863 [0,1,0,0,1,0|2,0,0]=4 3612 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210904_100000184863 [0,1,0,0,1,0|2,0,0]=4 3613 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F 11a_100000210904_100000182136 [0,1,0,0,1,0|2,0,0]=4 3614 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000210904_100000182136 [0,1,0,0,1,0|2,0,0]=4 3615 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)I 11a_100000210904_100102526154 [0,1,0,0,1,0|2,0,0]=4 3616 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000210904_100102526154 [0,1,0,0,1,0|2,0,0]=4 3617 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000210904_100016269017 [0,1,0,0,1,0|2,0,0]=4 3618 B16R1.1061 Cc1ccc(cc1)C=CC(=O)CCC(C)C 1458a_100000716854_100000210312 [0,1,0,0,1,0|0,0,0]=2 3619 B16R1.1061 Cc1ccc(cc1)C=CC(=O)CCC(C)O 1458a_100000716854_100012276601 [0,1,0,0,1,0|1,0,0]=3 3620 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 11a_100000210953_100000716854 [0,1,0,0,1,0|1,0,0]=3 3621 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 1626a_100000210953_100000716854 [0,1,0,0,1,0|1,0,0]=3 3622 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 240690a_100000210953_100000716854 [0,1,0,0,1,0|1,0,0]=3 3623 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O 11a_100000210904_100000716854 [0,1,0,0,1,0|2,0,0]=4 3624 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O 240690a_100000210904_100000716854 [0,1,0,0,1,0|2,0,0]=4 3625 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NNC(C)C 22a_100000741168_100000716854 [0,1,0,0,1,0|2,0,0]=4 3626 B16R1.1061 Cc1ccc(cc1)CCC(=O)CCC(C)C 1458a_100000181311_100011713686 [0,1,0,0,1,0|0,0,2]=4 3627 B16R1.1061 Cc1ccc(cc1)CCC(=O)CCC(C)C 1458a_100000234883_100000210312 [0,1,0,0,1,0|0,0,2]=4 3628 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C 11a_100000174908_100000181311 [0,1,0,0,1,0|1,0,1]=4 3629 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C 1626a_100000174908_100000181311 [0,1,0,0,1,0|1,0,1]=4 3630 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C 240690a_100000174908_100000181311 [0,1,0,0,1,0|1,0,1]=4 3631 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C 527a_100000174908_100000181311 [0,1,0,0,1,0|1,0,1]=4 3632 B16R1.1061 Cc1ccc(cc1)NNC(=O)CCC(C)C 22a_100000683527_100000181311 [0,1,0,0,1,0|2,0,0]=4 3633 B16R1.1061 Cc1ccc(cc1)OCC(=O)CCC(C)C 1458a_100000182360_100000210312 [0,1,0,0,1,0|1,0,1]=4 3634 B16R1.1061 Cc1ccc(cc1)SCC(=O)CCC(C)C 1458a_100000179497_100000210312 [0,1,0,0,1,0|1,0,1]=4 3635 B16R1.1061 Cc1cnc(cn1)C=CC(=O)CCC(C)C 6a_100000685221_100000210476 [0,1,0,0,1,0|2,0,0]=4 3636 B16R1.1061 Cc1ncc(cn1)C=CC(=O)CCC(C)C 6a_100011202771_100000210476 [0,1,0,0,1,0|2,0,0]=4 3637 B16R1.1771 CC(C)CNS(=O)(=O)C=Cc1ccccc1 40a_100000210953_100011098038 [0,1,0,0,1,0|2,0,0]=4 3638 B16R1.4122 CC(C)C(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000753385 [0,1,0,0,1,0|0,0,1]=3 3639 B16R1.4122 CC(C)C(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000753385 [0,1,0,0,1,0|1,0,1]=4 3640 B16R1.4122 CC(C)C(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000753385 [0,1,0,0,1,0|1,0,1]=4 3641 B16R1.4122 CC(C)C(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000753385 [0,1,0,0,1,0|1,0,1]=4 3642 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 11a_100000211541_100000210462 [0,1,0,0,1,0|1,0,0]=3 3643 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 1626a_100000211541_100000210462 [0,1,0,0,1,0|1,0,0]=3 3644 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccn1 11a_100000211541_100000740811 [0,1,0,0,1,0|2,0,0]=4 3645 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccn1 240690a_100000211541_100000740811 [0,1,0,0,1,0|2,0,0]=4 3646 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1cccnc1 11a_100000211541_100000735890 [0,1,0,0,1,0|2,0,0]=4 3647 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1cccnc1 240690a_100000211541_100000735890 [0,1,0,0,1,0|2,0,0]=4 3648 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccncc1 240690a_100000211541_100000682801 [0,1,0,0,1,0|2,0,0]=4 3649 B16R1.4122 CN(C)C(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000185267 [0,1,0,0,1,0|1,0,1]=4 3650 B16R1.6944 CC(C)CC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_100000731052 [0,1,0,0,1,0|0,0,2]=4 3651 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000731052 [0,1,0,0,1,0|0,0,0]=2 3652 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000731052 [0,1,0,0,1,0|1,0,0]=3 3653 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000731052 [0,1,0,0,1,0|1,0,0]=3 3654 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000731052 [0,1,0,0,1,0|1,0,0]=3 3655 B16R1.6944 CC(C)CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000731052 [0,1,0,0,1,0|0,0,2]=4 3656 B16R1.6944 CC(C)CC(C)C(=O)COc1ccccc1 1458a_100000186222_100000731052 [0,1,0,0,1,0|1,0,1]=4 3657 B16R1.6944 CC(C)CC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000731052 [0,1,0,0,1,0|1,0,1]=4 3658 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccc1 11a_100000747067_100000210462 [0,1,0,0,1,0|1,0,0]=3 3659 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccc1 1626a_100000747067_100000210462 [0,1,0,0,1,0|1,0,0]=3 3660 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccn1 11a_100000747067_100000740811 [0,1,0,0,1,0|2,0,0]=4 3661 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccn1 240690a_100000747067_100000740811 [0,1,0,0,1,0|2,0,0]=4 3662 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1cccnc1 11a_100000747067_100000735890 [0,1,0,0,1,0|2,0,0]=4 3663 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1cccnc1 240690a_100000747067_100000735890 [0,1,0,0,1,0|2,0,0]=4 3664 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccncc1 240690a_100000747067_100000682801 [0,1,0,0,1,0|2,0,0]=4 3665 B16R1.6944 CC(C)C[C@H](O)C(=O)CCc1ccccc1 1458a_100012027011_100000765856 [0,1,0,0,1,0|0,0,2]=4 3666 B16R1.6944 CC(C)C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_100012027011 [0,1,0,0,1,0|1,0,1]=4 3667 B16R1.6944 CC(C)C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100012027011 [0,1,0,0,1,0|1,0,1]=4 3668 B16R1.6944 CC(C)C[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_100012027011 [0,1,0,0,1,0|2,0,0]=4 3669 B16R1.7611 C=C(C)CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000730704 [0,1,0,0,1,0|0,0,2]=4 3670 B16R1.7611 CC(=CC(=O)CCC(C)C)c1ccccc1 1458a_100000743005_100000210312 [0,1,0,0,1,0|0,0,0]=2 3671 B16R1.7611 CC(=CC(=O)CCC(C)O)c1ccccc1 1458a_100000743005_100012276601 [0,1,0,0,1,0|1,0,0]=3 3672 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 11a_100000210953_100000743005 [0,1,0,0,1,0|1,0,0]=3 3673 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 1626a_100000210953_100000743005 [0,1,0,0,1,0|1,0,0]=3 3674 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 240690a_100000210953_100000743005 [0,1,0,0,1,0|1,0,0]=3 3675 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 527a_100000210953_100000743005 [0,1,0,0,1,0|1,0,0]=3 3676 B16R1.7611 CC(=CC(=O)NCC(C)O)c1ccccc1 11a_100000210904_100000743005 [0,1,0,0,1,0|2,0,0]=4 3677 B16R1.7611 CC(=CC(=O)NCC(C)O)c1ccccc1 240690a_100000210904_100000743005 [0,1,0,0,1,0|2,0,0]=4 3678 B16R1.7611 CC(=CC(=O)NCC(C)O)c1ccccc1 527a_100000210904_100000743005 [0,1,0,0,1,0|2,0,0]=4 3679 B16R1.7611 CC(=CC(=O)NNC(C)C)c1ccccc1 22a_100000741168_100000743005 [0,1,0,0,1,0|2,0,0]=4 3680 B16R1.7611 CC(=CCC(=O)C=C(C)c1ccccc1)C 1458a_100000743005_100000761012 [0,1,0,0,1,0|0,0,2]=4 3681 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccccc1 1458a_100000181311_100000211460 [0,1,0,0,1,0|0,0,1]=3 3682 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccccn1 1458a_100000181311_100000027445 [0,1,0,0,1,0|1,0,1]=4 3683 B16R1.7611 CC(C)CCC(=O)CC(=O)c1cccnc1 1458a_100000181311_100015188593 [0,1,0,0,1,0|1,0,1]=4 3684 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccncc1 1458a_100000181311_100000027454 [0,1,0,0,1,0|1,0,1]=4 3685 B16R1.7611 CC(C)CCC(=O)CC(C)c1ccccc1 1458a_100000181311_100000756946 [0,1,0,0,1,0|0,0,2]=4 3686 B16R1.7611 CC(C)CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210312 [0,1,0,0,1,0|0,0,2]=4 3687 B16R1.7611 CC(C)CCC(=O)CC(O)c1ccccc1 1458a_100000181311_100000185958 [0,1,0,0,1,0|0,0,2]=4 3688 B16R1.7611 CC(C)CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210312 [0,1,0,0,1,0|0,0,2]=4 3689 B16R1.7611 CC(C)CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210312 [0,1,0,0,1,0|1,0,1]=4 3690 B16R1.7611 CC(C)CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000181311_100011933945 [0,1,0,0,1,0|0,0,2]=4 3691 B16R1.7611 CC(C)CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000181311 [0,1,0,0,1,0|1,0,1]=4 3692 B16R1.7611 CC(C)CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000181311 [0,1,0,0,1,0|1,0,1]=4 3693 B16R1.7611 CC(C)CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000181311 [0,1,0,0,1,0|1,0,1]=4 3694 B16R1.7611 CC(C)CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000181311 [0,1,0,0,1,0|1,0,1]=4 3695 B16R1.7611 CC(C)CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183291 [0,1,0,0,1,0|1,0,1]=4 3696 B16R1.7611 CC(C)OCC(=O)CC(=O)c1ccccc1 1458a_100000745533_100000211460 [0,1,0,0,1,0|1,0,1]=4 3697 B16R1.7611 CC(C)SCC(=O)CC(=O)c1ccccc1 1458a_100000241585_100000211460 [0,1,0,0,1,0|1,0,1]=4 3698 B16R1.7611 CC(C)SCC(=O)NC(=O)c1ccccc1 62a_100000210206_100000010347 [0,1,0,0,1,0|2,0,0]=4 3699 B16R1.7611 C[S+](C)CCC(=O)CC(=O)c1ccccc1 1458a_100009452791_100000211460 [0,1,0,0,1,0|1,0,1]=4 3700 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000730704 [0,1,0,0,1,0|0,0,2]=4 3701 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000730704 [0,1,0,0,1,0|0,0,2]=4 3702 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000730704 [0,1,0,0,1,0|0,0,2]=4 3703 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000730704 [0,1,0,0,1,0|0,0,2]=4 3704 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000730704 [0,1,0,0,1,0|0,0,2]=4 3705 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)Br)C 1458a_100016258244_100000761012 [0,1,0,0,1,0|0,0,2]=4 3706 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)C)C 1458a_100000690095_100000761012 [0,1,0,0,1,0|0,0,2]=4 3707 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)Cl)C 1458a_100000184502_100000761012 [0,1,0,0,1,0|0,0,2]=4 3708 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)F)C 1458a_100000718793_100000761012 [0,1,0,0,1,0|0,0,2]=4 3709 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)I)C 1458a_100020647043_100000761012 [0,1,0,0,1,0|0,0,2]=4 3710 B16R1.11227 CC(C)CCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210312 [0,1,0,0,1,0|0,0,2]=4 3711 B16R1.11227 CC(C)CCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210312 [0,1,0,0,1,0|0,0,2]=4 3712 B16R1.11227 CC(C)CCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210312 [0,1,0,0,1,0|0,0,2]=4 3713 B16R1.11227 CC(C)CCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210312 [0,1,0,0,1,0|0,0,2]=4 3714 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210312 [0,1,0,0,1,0|0,0,0]=2 3715 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000210476 [0,1,0,0,1,0|0,0,0]=2 3716 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210312 [0,1,0,0,1,0|0,0,0]=2 3717 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210312 [0,1,0,0,1,0|0,0,0]=2 3718 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000210476 [0,1,0,0,1,0|0,0,0]=2 3719 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210312 [0,1,0,0,1,0|0,0,0]=2 3720 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000210476 [0,1,0,0,1,0|0,0,0]=2 3721 B16R1.11227 CC(C)CCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000210476 [0,1,0,0,1,0|1,0,0]=3 3722 B16R1.11227 CC(C)CCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000210476 [0,1,0,0,1,0|1,0,0]=3 3723 B16R1.11227 CC(C)CCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000210476 [0,1,0,0,1,0|1,0,0]=3 3724 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)Br 1458a_100000181311_100011740638 [0,1,0,0,1,0|0,0,2]=4 3725 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210312 [0,1,0,0,1,0|0,0,2]=4 3726 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)Cl 1458a_100000181311_100011713710 [0,1,0,0,1,0|0,0,2]=4 3727 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210312 [0,1,0,0,1,0|0,0,2]=4 3728 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)F 1458a_100000181311_100011217235 [0,1,0,0,1,0|0,0,2]=4 3729 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210312 [0,1,0,0,1,0|0,0,2]=4 3730 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210312 [0,1,0,0,1,0|0,0,2]=4 3731 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210312 [0,1,0,0,1,0|0,0,2]=4 3732 B16R1.11227 CC(C)CCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210312 [0,1,0,0,1,0|1,0,1]=4 3733 B16R1.11227 CC(C)CCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210312 [0,1,0,0,1,0|1,0,1]=4 3734 B16R1.11227 CC(C)CCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210312 [0,1,0,0,1,0|1,0,1]=4 3735 B16R1.11227 CC(C)CCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210312 [0,1,0,0,1,0|1,0,1]=4 3736 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000181311 [0,1,0,0,1,0|1,0,1]=4 3737 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000181311 [0,1,0,0,1,0|1,0,1]=4 3738 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000181311 [0,1,0,0,1,0|1,0,1]=4 3739 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000181311 [0,1,0,0,1,0|1,0,1]=4 3740 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000181311 [0,1,0,0,1,0|1,0,1]=4 3741 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000181311 [0,1,0,0,1,0|1,0,1]=4 3742 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000181311 [0,1,0,0,1,0|1,0,1]=4 3743 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000181311 [0,1,0,0,1,0|1,0,1]=4 3744 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F 11a_100000174948_100000181311 [0,1,0,0,1,0|1,0,1]=4 3745 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000181311 [0,1,0,0,1,0|1,0,1]=4 3746 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000181311 [0,1,0,0,1,0|1,0,1]=4 3747 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F 527a_100000174948_100000181311 [0,1,0,0,1,0|1,0,1]=4 3748 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I 11a_100000106179_100000181311 [0,1,0,0,1,0|1,0,1]=4 3749 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000181311 [0,1,0,0,1,0|1,0,1]=4 3750 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000181311 [0,1,0,0,1,0|1,0,1]=4 3751 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I 527a_100000106179_100000181311 [0,1,0,0,1,0|1,0,1]=4 3752 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000181311 [0,1,0,0,1,0|1,0,1]=4 3753 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)O 527a_100000743036_100000181311 [0,1,0,0,1,0|1,0,1]=4 3754 B16R1.11227 CC(C)CCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000181311 [0,1,0,0,1,0|2,0,0]=4 3755 B16R1.11227 CC(C)CCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000181311 [0,1,0,0,1,0|2,0,0]=4 3756 B16R1.11227 CC(C)CCC(=O)NNc1cccc(c1)F 22a_100000745080_100000181311 [0,1,0,0,1,0|2,0,0]=4 3757 B16R1.11227 CC(C)CCC(=O)NNc1cccc(c1)I 22a_100020605690_100000181311 [0,1,0,0,1,0|2,0,0]=4 3758 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100000210953_100016258244 [0,1,0,0,1,0|1,0,0]=3 3759 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000210953_100016258244 [0,1,0,0,1,0|1,0,0]=3 3760 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000210953_100016258244 [0,1,0,0,1,0|1,0,0]=3 3761 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000210953_100000184502 [0,1,0,0,1,0|1,0,0]=3 3762 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000210953_100000184502 [0,1,0,0,1,0|1,0,0]=3 3763 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210953_100000184502 [0,1,0,0,1,0|1,0,0]=3 3764 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 11a_100000210953_100000718793 [0,1,0,0,1,0|1,0,0]=3 3765 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100000210953_100000718793 [0,1,0,0,1,0|1,0,0]=3 3766 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100000210953_100000718793 [0,1,0,0,1,0|1,0,0]=3 3767 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 11a_100000210953_100020647043 [0,1,0,0,1,0|1,0,0]=3 3768 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100000210953_100020647043 [0,1,0,0,1,0|1,0,0]=3 3769 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100000210953_100020647043 [0,1,0,0,1,0|1,0,0]=3 3770 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)Br 22a_100000741168_100016258244 [0,1,0,0,1,0|2,0,0]=4 3771 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)Cl 22a_100000741168_100000184502 [0,1,0,0,1,0|2,0,0]=4 3772 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)F 22a_100000741168_100000718793 [0,1,0,0,1,0|2,0,0]=4 3773 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)I 22a_100000741168_100020647043 [0,1,0,0,1,0|2,0,0]=4 3774 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)O 22a_100000741168_100102525460 [0,1,0,0,1,0|2,0,0]=4 3775 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100012276601 [0,1,0,0,1,0|1,0,0]=3 3776 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100012276601 [0,1,0,0,1,0|1,0,0]=3 3777 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100012276601 [0,1,0,0,1,0|1,0,0]=3 3778 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100012276601 [0,1,0,0,1,0|1,0,0]=3 3779 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Br 11a_100000210904_100016258244 [0,1,0,0,1,0|2,0,0]=4 3780 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000210904_100016258244 [0,1,0,0,1,0|2,0,0]=4 3781 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000210904_100000184502 [0,1,0,0,1,0|2,0,0]=4 3782 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210904_100000184502 [0,1,0,0,1,0|2,0,0]=4 3783 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)F 11a_100000210904_100000718793 [0,1,0,0,1,0|2,0,0]=4 3784 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)F 240690a_100000210904_100000718793 [0,1,0,0,1,0|2,0,0]=4 3785 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)I 11a_100000210904_100020647043 [0,1,0,0,1,0|2,0,0]=4 3786 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)I 240690a_100000210904_100020647043 [0,1,0,0,1,0|2,0,0]=4 3787 B16R1.11227 Cc1cccc(c1)C#CC(=O)CCC(C)C 1458a_100011892726_100000210312 [0,1,0,0,1,0|0,0,2]=4 3788 B16R1.11227 Cc1cccc(c1)C=CC(=O)CCC(C)C 1458a_100000690095_100000210312 [0,1,0,0,1,0|0,0,0]=2 3789 B16R1.11227 Cc1cccc(c1)C=CC(=O)CCC(C)O 1458a_100000690095_100012276601 [0,1,0,0,1,0|1,0,0]=3 3790 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 11a_100000210953_100000690095 [0,1,0,0,1,0|1,0,0]=3 3791 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 1626a_100000210953_100000690095 [0,1,0,0,1,0|1,0,0]=3 3792 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 240690a_100000210953_100000690095 [0,1,0,0,1,0|1,0,0]=3 3793 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)O 11a_100000210904_100000690095 [0,1,0,0,1,0|2,0,0]=4 3794 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)O 240690a_100000210904_100000690095 [0,1,0,0,1,0|2,0,0]=4 3795 B16R1.11227 Cc1cccc(c1)C=CC(=O)NNC(C)C 22a_100000741168_100000690095 [0,1,0,0,1,0|2,0,0]=4 3796 B16R1.11227 Cc1cccc(c1)CCC(=O)CCC(C)C 1458a_100000181311_100011713685 [0,1,0,0,1,0|0,0,2]=4 3797 B16R1.11227 Cc1cccc(c1)CCC(=O)CCC(C)C 1458a_100000234952_100000210312 [0,1,0,0,1,0|0,0,2]=4 3798 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C 11a_100000185548_100000181311 [0,1,0,0,1,0|1,0,1]=4 3799 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C 1626a_100000185548_100000181311 [0,1,0,0,1,0|1,0,1]=4 3800 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C 240690a_100000185548_100000181311 [0,1,0,0,1,0|1,0,1]=4 3801 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C 527a_100000185548_100000181311 [0,1,0,0,1,0|1,0,1]=4 3802 B16R1.11227 Cc1cccc(c1)NNC(=O)CCC(C)C 22a_100000681630_100000181311 [0,1,0,0,1,0|2,0,0]=4 3803 B16R1.11227 Cc1cccc(c1)OCC(=O)CCC(C)C 1458a_100000183606_100000210312 [0,1,0,0,1,0|1,0,1]=4 3804 B16R1.11227 Cc1cncc(c1)C=CC(=O)CCC(C)C 6a_100011998712_100000210476 [0,1,0,0,1,0|1,0,0]=3 3805 B16R1.11227 Cc1cncc(n1)C=CC(=O)CCC(C)C 6a_100000100294_100000210476 [0,1,0,0,1,0|2,0,0]=4 3806 B16R1.22556 CC(C)(C)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000755188 [0,1,0,0,1,0|0,0,2]=4 3807 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000755188 [0,1,0,0,1,0|0,0,0]=2 3808 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000755188 [0,1,0,0,1,0|1,0,0]=3 3809 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000755188 [0,1,0,0,1,0|1,0,0]=3 3810 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000755188 [0,1,0,0,1,0|1,0,0]=3 3811 B16R1.22556 CC(C)(C)CCC(=O)CCc1ccccc1 1458a_100000185753_100000755188 [0,1,0,0,1,0|0,0,2]=4 3812 B16R1.22556 CC(C)(C)CCC(=O)CCc1ccccc1 1458a_100000757465_100000765856 [0,1,0,0,1,0|0,0,2]=4 3813 B16R1.22556 CC(C)(C)CCC(=O)COc1ccccc1 1458a_100000186222_100000755188 [0,1,0,0,1,0|1,0,1]=4 3814 B16R1.22556 CC(C)(C)CCC(=O)CSc1ccccc1 1458a_100000211596_100000755188 [0,1,0,0,1,0|1,0,1]=4 3815 B16R1.22556 CC(C)(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000757465 [0,1,0,0,1,0|1,0,1]=4 3816 B16R1.22556 CC(C)(C)CCC(=O)NCc1ccccc1 1626a_100015324214_100000757465 [0,1,0,0,1,0|1,0,1]=4 3817 B16R1.22556 CC(C)(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000757465 [0,1,0,0,1,0|1,0,1]=4 3818 B16R1.22556 CC(C)(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000757465 [0,1,0,0,1,0|1,0,1]=4 3819 B16R1.22556 CC(C)(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000757465 [0,1,0,0,1,0|2,0,0]=4 3820 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccc1 11a_100000743828_100000210462 [0,1,0,0,1,0|1,0,0]=3 3821 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccc1 1626a_100000743828_100000210462 [0,1,0,0,1,0|1,0,0]=3 3822 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccn1 11a_100000743828_100000740811 [0,1,0,0,1,0|2,0,0]=4 3823 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccn1 240690a_100000743828_100000740811 [0,1,0,0,1,0|2,0,0]=4 3824 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1cccnc1 11a_100000743828_100000735890 [0,1,0,0,1,0|2,0,0]=4 3825 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1cccnc1 240690a_100000743828_100000735890 [0,1,0,0,1,0|2,0,0]=4 3826 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccncc1 240690a_100000743828_100000682801 [0,1,0,0,1,0|2,0,0]=4 3827 B16R1.22556 CC(C)(C)COC(=O)CNc1ccccc1 34a_100000106764_200010402935 [0,1,0,0,1,0|1,0,1]=4 3828 B16R1.22556 CC(C)(C)COC(=O)COc1ccccc1 34a_100000210340_200010402935 [0,1,0,0,1,0|1,0,1]=4 3829 B16R1.22556 CC(C)(C)COC(=O)COc1ccccc1 7a_100000210340_200010402935 [0,1,0,0,1,0|1,0,1]=4 3830 B16R1.22556 CC(C)(C)COC(=O)CSc1ccccc1 62a_100000719477_200010402935 [0,1,0,0,1,0|1,0,1]=4 3831 B16R1.22556 CC(C)(C)COC(=O)CSc1ccccc1 62a_200010402935_100000041952 [0,1,0,0,1,0|1,0,1]=4 3832 B16R1.22556 CC(C)(C)NNC(=O)C=Cc1ccccc1 22a_100000725372_100000210462 [0,1,0,0,1,0|2,0,0]=4 3833 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccc1 11a_100020643315_100000210462 [0,1,0,0,1,0|1,0,0]=3 3834 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccc1 1626a_100020643315_100000210462 [0,1,0,0,1,0|1,0,0]=3 3835 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccn1 11a_100020643315_100000740811 [0,1,0,0,1,0|2,0,0]=4 3836 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccn1 240690a_100020643315_100000740811 [0,1,0,0,1,0|2,0,0]=4 3837 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1cccnc1 11a_100020643315_100000735890 [0,1,0,0,1,0|2,0,0]=4 3838 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1cccnc1 240690a_100020643315_100000735890 [0,1,0,0,1,0|2,0,0]=4 3839 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccncc1 240690a_100020643315_100000682801 [0,1,0,0,1,0|2,0,0]=4 3840 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccccc1 1626a_100000751335_100000210462 [0,1,0,0,1,0|1,0,0]=3 3841 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccccn1 240690a_100000751335_100000740811 [0,1,0,0,1,0|2,0,0]=4 3842 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1cccnc1 240690a_100000751335_100000735890 [0,1,0,0,1,0|2,0,0]=4 3843 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccncc1 240690a_100000751335_100000682801 [0,1,0,0,1,0|2,0,0]=4 3844 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccc1 11a_100000731000_100000210462 [0,1,0,0,1,0|2,0,0]=4 3845 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccc1 1626a_100000731000_100000210462 [0,1,0,0,1,0|2,0,0]=4 3846 B16R1.22556 CS(=O)(=O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000731031 [0,1,0,0,1,0|2,0,0]=4 3847 B16R1.22556 C[N+](C)(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000085578 [0,1,0,0,1,0|1,0,0]=3 3848 B16R1.22556 C[N+](C)(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000085578 [0,1,0,0,1,0|2,0,0]=4 3849 B16R1.22556 C[N+](C)(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000085578 [0,1,0,0,1,0|2,0,0]=4 3850 B16R1.22556 C[N+](C)(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000085578 [0,1,0,0,1,0|2,0,0]=4 3851 B16R1.22556 C[Si](C)(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_200000733723 [0,1,0,0,1,0|0,1,0]=3 3852 B16R1.22556 C[Si](C)(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_200000733723 [0,1,0,0,1,0|1,1,0]=4 3853 B16R1.22556 C[Si](C)(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_200000733723 [0,1,0,0,1,0|1,1,0]=4 3854 B16R1.22556 C[Si](C)(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_200000733723 [0,1,0,0,1,0|1,1,0]=4 3855 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1ccccc1 11a_102516607284_100000210462 [0,1,0,0,1,0|1,1,0]=4 3856 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1ccccc1 1626a_102516607284_100000210462 [0,1,0,0,1,0|1,1,0]=4 3857 B16R1.22556 O=C(C=Cc1ccccc1)CCC(F)(F)F 1458a_100000210462_100011219754 [0,1,0,0,1,0|2,0,0]=4 3858 B18R1.979 CC(C)CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011216152 [0,1,0,0,0,1|1,0,0]=3 3859 B18R1.979 CC(C)CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011216152 [0,1,0,0,0,1|1,0,0]=3 3860 B18R1.979 CC(C)CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011216152 [0,1,0,0,0,1|1,0,0]=3 3861 B18R1.979 CC(C)CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011216152 [0,1,0,0,0,1|1,0,0]=3 3862 B18R1.979 CC(C)CCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011216152 [0,1,0,0,0,1|2,0,0]=4 3863 B18R1.979 CC(C)CCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011216152 [0,1,0,0,0,1|2,0,0]=4 3864 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)Br 11a_200000737386_100016267368 [0,1,0,0,0,1|1,0,0]=3 3865 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_200000737386_100016267368 [0,1,0,0,0,1|1,0,0]=3 3866 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_200000737386_100000184863 [0,1,0,0,0,1|1,0,0]=3 3867 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_200000737386_100000184863 [0,1,0,0,0,1|1,0,0]=3 3868 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_200000737386_100000184863 [0,1,0,0,0,1|1,0,0]=3 3869 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)F 11a_200000737386_100000182136 [0,1,0,0,0,1|1,0,0]=3 3870 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)F 1626a_200000737386_100000182136 [0,1,0,0,0,1|1,0,0]=3 3871 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)F 240690a_200000737386_100000182136 [0,1,0,0,0,1|1,0,0]=3 3872 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)I 11a_200000737386_100102526154 [0,1,0,0,0,1|1,0,0]=3 3873 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)I 1626a_200000737386_100102526154 [0,1,0,0,0,1|1,0,0]=3 3874 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)I 240690a_200000737386_100102526154 [0,1,0,0,0,1|1,0,0]=3 3875 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cc1)O 240690a_200000737386_100016269017 [0,1,0,0,0,1|1,0,0]=3 3876 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cn1)F 11a_200000737386_100020630499 [0,1,0,0,0,1|2,0,0]=4 3877 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cn1)F 1626a_200000737386_100020630499 [0,1,0,0,0,1|2,0,0]=4 3878 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(cn1)F 240690a_200000737386_100020630499 [0,1,0,0,0,1|2,0,0]=4 3879 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(nc1)Br 11a_200000737386_100020588214 [0,1,0,0,0,1|2,0,0]=4 3880 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(nc1)Br 1626a_200000737386_100020588214 [0,1,0,0,0,1|2,0,0]=4 3881 B18R1.979 CC(C)CCCNC(=O)C=Cc1ccc(nc1)Br 240690a_200000737386_100020588214 [0,1,0,0,0,1|2,0,0]=4 3882 B18R1.979 CC(C)CCOCC(=O)NCc1ccc(cc1)Cl 34a_100000210254_100000183476 [0,1,0,0,0,1|1,0,1]=4 3883 B18R1.979 CC(C)CCOCC(=O)NCc1ccc(cc1)Cl 7a_100000210254_100000183476 [0,1,0,0,0,1|1,0,1]=4 3884 B18R1.979 CC(C)CCOCC(=O)NCc1ccc(cc1)F 34a_100000210254_100000182461 [0,1,0,0,0,1|1,0,1]=4 3885 B18R1.979 CC(C)CCOCC(=O)NCc1ccc(cc1)F 7a_100000210254_100000182461 [0,1,0,0,0,1|1,0,1]=4 3886 B18R1.979 CC(C)COCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011216429 [0,1,0,0,0,1|1,0,0]=3 3887 B18R1.979 CC(C)COCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011216429 [0,1,0,0,0,1|1,0,0]=3 3888 B18R1.979 CC(C)COCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011216429 [0,1,0,0,0,1|1,0,0]=3 3889 B18R1.979 CC(C)COCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_200011216429 [0,1,0,0,0,1|2,0,0]=4 3890 B18R1.979 CC(C)COCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_200011216429 [0,1,0,0,0,1|2,0,0]=4 3891 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000701111_100016267368 [0,1,0,0,0,1|1,0,0]=3 3892 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000701111_100016267368 [0,1,0,0,0,1|1,0,0]=3 3893 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000701111_100000184863 [0,1,0,0,0,1|1,0,0]=3 3894 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000701111_100000184863 [0,1,0,0,0,1|1,0,0]=3 3895 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000701111_100000184863 [0,1,0,0,0,1|1,0,0]=3 3896 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)F 11a_100000701111_100000182136 [0,1,0,0,0,1|1,0,0]=3 3897 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000701111_100000182136 [0,1,0,0,0,1|1,0,0]=3 3898 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000701111_100000182136 [0,1,0,0,0,1|1,0,0]=3 3899 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)I 11a_100000701111_100102526154 [0,1,0,0,0,1|1,0,0]=3 3900 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000701111_100102526154 [0,1,0,0,0,1|1,0,0]=3 3901 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000701111_100102526154 [0,1,0,0,0,1|1,0,0]=3 3902 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000701111_100016269017 [0,1,0,0,0,1|1,0,0]=3 3903 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cn1)F 11a_100000701111_100020630499 [0,1,0,0,0,1|2,0,0]=4 3904 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000701111_100020630499 [0,1,0,0,0,1|2,0,0]=4 3905 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000701111_100020630499 [0,1,0,0,0,1|2,0,0]=4 3906 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000701111_100020588214 [0,1,0,0,0,1|2,0,0]=4 3907 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000701111_100020588214 [0,1,0,0,0,1|2,0,0]=4 3908 B18R1.979 CC(C)OCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000701111_100020588214 [0,1,0,0,0,1|2,0,0]=4 3909 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000731138_100016267368 [0,1,0,0,0,1|1,0,0]=3 3910 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000731138_100016267368 [0,1,0,0,0,1|1,0,0]=3 3911 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000731138_100000184863 [0,1,0,0,0,1|1,0,0]=3 3912 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000731138_100000184863 [0,1,0,0,0,1|1,0,0]=3 3913 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000731138_100000184863 [0,1,0,0,0,1|1,0,0]=3 3914 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)F 11a_100000731138_100000182136 [0,1,0,0,0,1|1,0,0]=3 3915 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000731138_100000182136 [0,1,0,0,0,1|1,0,0]=3 3916 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000731138_100000182136 [0,1,0,0,0,1|1,0,0]=3 3917 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)I 11a_100000731138_100102526154 [0,1,0,0,0,1|1,0,0]=3 3918 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000731138_100102526154 [0,1,0,0,0,1|1,0,0]=3 3919 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000731138_100102526154 [0,1,0,0,0,1|1,0,0]=3 3920 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000731138_100016269017 [0,1,0,0,0,1|1,0,0]=3 3921 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cn1)F 11a_100000731138_100020630499 [0,1,0,0,0,1|2,0,0]=4 3922 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000731138_100020630499 [0,1,0,0,0,1|2,0,0]=4 3923 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000731138_100020630499 [0,1,0,0,0,1|2,0,0]=4 3924 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000731138_100020588214 [0,1,0,0,0,1|2,0,0]=4 3925 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000731138_100020588214 [0,1,0,0,0,1|2,0,0]=4 3926 B18R1.979 CC(C)SCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000731138_100020588214 [0,1,0,0,0,1|2,0,0]=4 3927 B18R1.979 CN(C)CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_102531767803_100000184863 [0,1,0,0,0,1|2,0,0]=4 3928 B18R1.979 CN(C)CCCNC(=O)C=Cc1ccc(cc1)F 240690a_102531767803_100000182136 [0,1,0,0,0,1|2,0,0]=4 3929 B18R1.979 CN(C)CCCNC(=O)C=Cc1ccc(cc1)I 240690a_102531767803_100102526154 [0,1,0,0,0,1|2,0,0]=4 3930 B18R1.979 CN(C)CCCNC(=O)C=Cc1ccc(cc1)O 240690a_102531767803_100016269017 [0,1,0,0,0,1|2,0,0]=4 3931 B18R1.979 CN(C)CCNNC(=O)C=Cc1ccc(cc1)Br 22a_100000738145_100016267368 [0,1,0,0,0,1|2,0,0]=4 3932 B18R1.979 CN(C)CCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000738145_100000184863 [0,1,0,0,0,1|2,0,0]=4 3933 B18R1.979 CN(C)CCNNC(=O)C=Cc1ccc(cc1)F 22a_100000738145_100000182136 [0,1,0,0,0,1|2,0,0]=4 3934 B18R1.979 CN(C)CCNNC(=O)C=Cc1ccc(cc1)I 22a_100000738145_100102526154 [0,1,0,0,0,1|2,0,0]=4 3935 B18R1.979 CN(C)CCNNC(=O)C=Cc1ccc(cc1)O 22a_100000738145_100016269017 [0,1,0,0,0,1|2,0,0]=4 3936 B18R1.979 Cc1ccc(cc1)C=CC(=O)CCCCC(C)C 1458a_100000716854_100011216152 [0,1,0,0,0,1|1,0,0]=3 3937 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCCC(C)C 11a_200000737386_100000716854 [0,1,0,0,0,1|1,0,0]=3 3938 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCCC(C)C 1626a_200000737386_100000716854 [0,1,0,0,0,1|1,0,0]=3 3939 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCCC(C)C 240690a_200000737386_100000716854 [0,1,0,0,0,1|1,0,0]=3 3940 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCCN(C)C 240690a_102531767803_100000716854 [0,1,0,0,0,1|2,0,0]=4 3941 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCOC(C)C 11a_100000701111_100000716854 [0,1,0,0,0,1|1,0,0]=3 3942 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCOC(C)C 1626a_100000701111_100000716854 [0,1,0,0,0,1|1,0,0]=3 3943 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCOC(C)C 240690a_100000701111_100000716854 [0,1,0,0,0,1|1,0,0]=3 3944 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCSC(C)C 11a_100000731138_100000716854 [0,1,0,0,0,1|1,0,0]=3 3945 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCSC(C)C 1626a_100000731138_100000716854 [0,1,0,0,0,1|1,0,0]=3 3946 B18R1.979 Cc1ccc(cc1)C=CC(=O)NCCSC(C)C 240690a_100000731138_100000716854 [0,1,0,0,0,1|1,0,0]=3 3947 B18R1.979 Cc1ccc(cc1)C=CC(=O)NNCCN(C)C 22a_100000738145_100000716854 [0,1,0,0,0,1|2,0,0]=4 3948 B18R1.979 Cc1ccc(cc1)CNC(=O)COCCC(C)C 34a_100000210254_100000183211 [0,1,0,0,0,1|1,0,1]=4 3949 B18R1.979 Cc1ccc(cc1)CNC(=O)COCCC(C)C 7a_100000210254_100000183211 [0,1,0,0,0,1|1,0,1]=4 3950 B18R1.1152 CC(=CC(=O)CCCCC(C)C)c1ccccc1 1458a_100000743005_100011216152 [0,1,0,0,0,1|1,0,0]=3 3951 B18R1.1152 CC(=CC(=O)NCCCC(C)C)c1ccccc1 11a_200000737386_100000743005 [0,1,0,0,0,1|1,0,0]=3 3952 B18R1.1152 CC(=CC(=O)NCCCC(C)C)c1ccccc1 1626a_200000737386_100000743005 [0,1,0,0,0,1|1,0,0]=3 3953 B18R1.1152 CC(=CC(=O)NCCCC(C)C)c1ccccc1 240690a_200000737386_100000743005 [0,1,0,0,0,1|1,0,0]=3 3954 B18R1.1152 CC(=CC(=O)NCCCC(C)C)c1ccccc1 527a_200000737386_100000743005 [0,1,0,0,0,1|1,0,0]=3 3955 B18R1.1152 CC(=CC(=O)NCCCN(C)C)c1ccccc1 240690a_102531767803_100000743005 [0,1,0,0,0,1|2,0,0]=4 3956 B18R1.1152 CC(=CC(=O)NCCCN(C)C)c1ccccc1 527a_102531767803_100000743005 [0,1,0,0,0,1|2,0,0]=4 3957 B18R1.1152 CC(=CC(=O)NCCOC(C)C)c1ccccc1 11a_100000701111_100000743005 [0,1,0,0,0,1|1,0,0]=3 3958 B18R1.1152 CC(=CC(=O)NCCOC(C)C)c1ccccc1 1626a_100000701111_100000743005 [0,1,0,0,0,1|1,0,0]=3 3959 B18R1.1152 CC(=CC(=O)NCCOC(C)C)c1ccccc1 240690a_100000701111_100000743005 [0,1,0,0,0,1|1,0,0]=3 3960 B18R1.1152 CC(=CC(=O)NCCOC(C)C)c1ccccc1 527a_100000701111_100000743005 [0,1,0,0,0,1|1,0,0]=3 3961 B18R1.1152 CC(=CC(=O)NCCSC(C)C)c1ccccc1 11a_100000731138_100000743005 [0,1,0,0,0,1|1,0,0]=3 3962 B18R1.1152 CC(=CC(=O)NCCSC(C)C)c1ccccc1 1626a_100000731138_100000743005 [0,1,0,0,0,1|1,0,0]=3 3963 B18R1.1152 CC(=CC(=O)NCCSC(C)C)c1ccccc1 240690a_100000731138_100000743005 [0,1,0,0,0,1|1,0,0]=3 3964 B18R1.1152 CC(=CC(=O)NCCSC(C)C)c1ccccc1 527a_100000731138_100000743005 [0,1,0,0,0,1|1,0,0]=3 3965 B18R1.1152 CC(=CC(=O)NNCCN(C)C)c1ccccc1 22a_100000738145_100000743005 [0,1,0,0,0,1|2,0,0]=4 3966 B18R1.1152 CC(C)CCCCC(=O)CC(=O)c1ccccc1 1458a_100011933920_100000211460 [0,1,0,0,0,1|1,0,1]=4 3967 B18R1.1152 CC(C)CCOCC(=O)NC(=O)c1ccccc1 7a_100000210254_100000010347 [0,1,0,0,0,1|1,0,0]=3 3968 B18R1.1152 CC(C)CCOCC(=O)NC(C)c1ccccc1 34a_100000210254_200000243715 [0,1,0,0,0,1|1,0,1]=4 3969 B18R1.1152 CC(C)CCOCC(=O)NC(C)c1ccccc1 7a_100000210254_200000243715 [0,1,0,0,0,1|1,0,1]=4 3970 B18R1.1152 CC(C)CCOCC(=O)N[C@@H](C)c1ccccc1 34a_100000210254_100011939912 [0,1,0,0,0,1|1,0,1]=4 3971 B18R1.1152 CC(C)CCOCC(=O)N[C@@H](C)c1ccccc1 7a_100000210254_100011939912 [0,1,0,0,0,1|1,0,1]=4 3972 B18R1.1152 CC(C)CCSCC(=O)NC(=O)c1ccccc1 62a_100000210312_100000010347 [0,1,0,0,0,1|1,1,0]=4 3973 B18R1.4484 CC(C)C(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_100000210206 [0,1,0,0,0,1|1,0,0]=3 3974 B18R1.4484 CC(C)N(C)CCNC(=O)C=Cc1ccccc1 1626a_100000749581_100000210462 [0,1,0,0,0,1|1,0,0]=3 3975 B18R1.4484 CC(C)N(C)CCNC(=O)C=Cc1ccccn1 240690a_100000749581_100000740811 [0,1,0,0,0,1|2,0,0]=4 3976 B18R1.4484 CC(C)N(C)CCNC(=O)C=Cc1cccnc1 240690a_100000749581_100000735890 [0,1,0,0,0,1|2,0,0]=4 3977 B18R1.4484 CC(C)N(C)CCNC(=O)C=Cc1ccncc1 240690a_100000749581_100000682801 [0,1,0,0,0,1|2,0,0]=4 3978 B18R1.4484 CC(C)[C@@H](N)COCC(=O)CCc1ccccc1 34a_100011830312_100012361361 [0,1,0,0,0,1|0,0,2]=4 3979 B18R1.4484 CC(C)[C@@H](N)COCC(=O)NCc1ccccc1 34a_100011830312_100000183539 [0,1,0,0,0,1|1,0,1]=4 3980 B18R1.4484 CC(C)[C@@H](N)COCC(=O)OCc1ccccc1 34a_100011830312_100000753625 [0,1,0,0,0,1|1,0,1]=4 3981 B18R1.4484 CN(C)C(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000737642 [0,1,0,0,0,1|2,0,0]=4 3982 B18R1.4484 CN(C)C(=O)CCNC(=O)C=Cc1ccccc1 11a_100000738053_100000210462 [0,1,0,0,0,1|2,0,0]=4 3983 B18R1.4484 CN(C)C(=O)CCNC(=O)C=Cc1ccccc1 11a_100102631434_100015194563 [0,1,0,0,0,1|2,0,0]=4 3984 B18R1.4484 CN(C)C(=O)CCNC(=O)C=Cc1ccccc1 1626a_100102631434_100015194563 [0,1,0,0,0,1|2,0,0]=4 3985 B18R1.4484 CN(C)C(=O)CCNC(=O)C=Cc1ccccc1 240690a_100102631434_100015194563 [0,1,0,0,0,1|2,0,0]=4 3986 B18R1.4484 CN(C)C(=O)CCNC(=O)C=Cc1ccccc1 527a_100102631434_100015194563 [0,1,0,0,0,1|2,0,0]=4 3987 B18R1.4851 CCC(C)CCOCC(=O)CCc1ccccc1 7a_100011215188_100012361361 [0,1,0,0,0,1|0,0,2]=4 3988 B18R1.4851 CCC(C)CCOCC(=O)NCc1ccccc1 7a_100011215188_100000183539 [0,1,0,0,0,1|1,0,1]=4 3989 B18R1.4851 CCC(C)CCOCC(=O)OCc1ccccc1 7a_100011215188_100000753625 [0,1,0,0,0,1|1,0,1]=4 3990 B18R1.4851 COC(C)CCOCC(=O)CCc1ccccc1 7a_100000764861_100012361361 [0,1,0,0,0,1|0,0,2]=4 3991 B18R1.4851 COC(C)CCOCC(=O)NCc1ccccc1 7a_100000764861_100000183539 [0,1,0,0,0,1|1,0,1]=4 3992 B18R1.4851 COC(C)CCOCC(=O)OCc1ccccc1 7a_100000764861_100000753625 [0,1,0,0,0,1|1,0,1]=4 3993 B18R1.10219 CC(C)CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011216152 [0,1,0,0,0,1|1,0,0]=3 3994 B18R1.10219 CC(C)CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011216152 [0,1,0,0,0,1|1,0,0]=3 3995 B18R1.10219 CC(C)CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011216152 [0,1,0,0,0,1|1,0,0]=3 3996 B18R1.10219 CC(C)CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011216152 [0,1,0,0,0,1|1,0,0]=3 3997 B18R1.10219 CC(C)CCCNC(=O)C=Cc1ccccc1Br 11a_200000737386_100000719032 [0,1,0,0,0,1|1,0,0]=3 3998 B18R1.10219 CC(C)CCCNC(=O)C=Cc1ccccc1Br 1626a_200000737386_100000719032 [0,1,0,0,0,1|1,0,0]=3 3999 B18R1.10219 CC(C)CCCNC(=O)C=Cc1ccccc1Br 240690a_200000737386_100000719032 [0,1,0,0,0,1|1,0,0]=3 4000 B18R1.10219 CC(C)CCCNC(=O)C=Cc1ccccc1Cl 11a_200000737386_100000720304 [0,1,0,0,0,1|1,0,0]=3 4001 B18R1.10219 CC(C)CCCNC(=O)C=Cc1ccccc1Cl 1626a_200000737386_100000720304 [0,1,0,0,0,1|1,0,0]=3 4002 B18R1.10219 CC(C)CCCNC(=O)C=Cc1ccccc1Cl 240690a_200000737386_100000720304 [0,1,0,0,0,1|1,0,0]=3 4003 B18R1.10219 CC(C)CCCNC(=O)C=Cc1ccccc1F 11a_200000737386_100016256065 [0,1,0,0,0,1|1,0,0]=3 4004 B18R1.10219 CC(C)CCCNC(=O)C=Cc1ccccc1F 1626a_200000737386_100016256065 [0,1,0,0,0,1|1,0,0]=3 4005 B18R1.10219 CC(C)CCCNC(=O)C=Cc1ccccc1F 240690a_200000737386_100016256065 [0,1,0,0,0,1|1,0,0]=3 4006 B18R1.10219 CC(C)CCOCC(=O)NCc1ccccc1F 34a_100000210254_100000190583 [0,1,0,0,0,1|1,0,1]=4 4007 B18R1.10219 CC(C)CCOCC(=O)NCc1ccccc1F 7a_100000210254_100000190583 [0,1,0,0,0,1|1,0,1]=4 4008 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1Br 11a_100000701111_100000719032 [0,1,0,0,0,1|1,0,0]=3 4009 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1Br 1626a_100000701111_100000719032 [0,1,0,0,0,1|1,0,0]=3 4010 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1Br 240690a_100000701111_100000719032 [0,1,0,0,0,1|1,0,0]=3 4011 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1Cl 11a_100000701111_100000720304 [0,1,0,0,0,1|1,0,0]=3 4012 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1Cl 1626a_100000701111_100000720304 [0,1,0,0,0,1|1,0,0]=3 4013 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1Cl 240690a_100000701111_100000720304 [0,1,0,0,0,1|1,0,0]=3 4014 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1F 11a_100000701111_100016256065 [0,1,0,0,0,1|1,0,0]=3 4015 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1F 1626a_100000701111_100016256065 [0,1,0,0,0,1|1,0,0]=3 4016 B18R1.10219 CC(C)OCCNC(=O)C=Cc1ccccc1F 240690a_100000701111_100016256065 [0,1,0,0,0,1|1,0,0]=3 4017 B18R1.10219 CC(C)SCCNC(=O)C=Cc1ccccc1Br 11a_100000731138_100000719032 [0,1,0,0,0,1|1,0,0]=3 4018 B18R1.10219 CC(C)SCCNC(=O)C=Cc1ccccc1Br 1626a_100000731138_100000719032 [0,1,0,0,0,1|1,0,0]=3 4019 B18R1.10219 CC(C)SCCNC(=O)C=Cc1ccccc1Br 240690a_100000731138_100000719032 [0,1,0,0,0,1|1,0,0]=3 4020 B18R1.10219 CC(C)SCCNC(=O)C=Cc1ccccc1Cl 11a_100000731138_100000720304 [0,1,0,0,0,1|1,0,0]=3 4021 B18R1.10219 CC(C)SCCNC(=O)C=Cc1ccccc1Cl 1626a_100000731138_100000720304 [0,1,0,0,0,1|1,0,0]=3 4022 B18R1.10219 CC(C)SCCNC(=O)C=Cc1ccccc1Cl 240690a_100000731138_100000720304 [0,1,0,0,0,1|1,0,0]=3 4023 B18R1.10219 CC(C)SCCNC(=O)C=Cc1ccccc1F 11a_100000731138_100016256065 [0,1,0,0,0,1|1,0,0]=3 4024 B18R1.10219 CC(C)SCCNC(=O)C=Cc1ccccc1F 1626a_100000731138_100016256065 [0,1,0,0,0,1|1,0,0]=3 4025 B18R1.10219 CC(C)SCCNC(=O)C=Cc1ccccc1F 240690a_100000731138_100016256065 [0,1,0,0,0,1|1,0,0]=3 4026 B18R1.10219 CN(C)CCCNC(=O)C=Cc1ccccc1Br 240690a_102531767803_100000719032 [0,1,0,0,0,1|2,0,0]=4 4027 B18R1.10219 CN(C)CCCNC(=O)C=Cc1ccccc1Cl 240690a_102531767803_100000720304 [0,1,0,0,0,1|2,0,0]=4 4028 B18R1.10219 CN(C)CCCNC(=O)C=Cc1ccccc1F 240690a_102531767803_100016256065 [0,1,0,0,0,1|2,0,0]=4 4029 B18R1.10219 CN(C)CCNNC(=O)C=Cc1ccccc1Br 22a_100000738145_100000719032 [0,1,0,0,0,1|2,0,0]=4 4030 B18R1.10219 CN(C)CCNNC(=O)C=Cc1ccccc1Cl 22a_100000738145_100000720304 [0,1,0,0,0,1|2,0,0]=4 4031 B18R1.10219 CN(C)CCNNC(=O)C=Cc1ccccc1F 22a_100000738145_100016256065 [0,1,0,0,0,1|2,0,0]=4 4032 B18R1.10219 CN(C)CCNNC(=O)C=Cc1ccccc1O 22a_100000738145_100016263591 [0,1,0,0,0,1|2,0,0]=4 4033 B18R1.10219 Cc1ccccc1C=CC(=O)NCCCC(C)C 1626a_200000737386_100016266485 [0,1,0,0,0,1|1,0,0]=3 4034 B18R1.10219 Cc1ccccc1C=CC(=O)NCCOC(C)C 1626a_100000701111_100016266485 [0,1,0,0,0,1|1,0,0]=3 4035 B18R1.10219 Cc1ccccc1C=CC(=O)NCCSC(C)C 1626a_100000731138_100016266485 [0,1,0,0,0,1|1,0,0]=3 4036 B18R1.10219 Cc1ccccc1C=CC(=O)NNCCN(C)C 22a_100000738145_100016266485 [0,1,0,0,0,1|2,0,0]=4 4037 B18R1.10219 Cc1ccccc1CNC(=O)COCCC(C)C 34a_100000210254_100000230231 [0,1,0,0,0,1|1,0,1]=4 4038 B18R1.10219 Cc1ccccc1CNC(=O)COCCC(C)C 7a_100000210254_100000230231 [0,1,0,0,0,1|1,0,1]=4 4039 B18R1.17709 CC(C)CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011216152 [0,1,0,0,0,1|1,0,0]=3 4040 B18R1.17709 CC(C)CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011216152 [0,1,0,0,0,1|1,0,0]=3 4041 B18R1.17709 CC(C)CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011216152 [0,1,0,0,0,1|1,0,0]=3 4042 B18R1.17709 CC(C)CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011216152 [0,1,0,0,0,1|1,0,0]=3 4043 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)Br 11a_200000737386_100016258244 [0,1,0,0,0,1|1,0,0]=3 4044 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)Br 1626a_200000737386_100016258244 [0,1,0,0,0,1|1,0,0]=3 4045 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)Br 240690a_200000737386_100016258244 [0,1,0,0,0,1|1,0,0]=3 4046 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)Cl 11a_200000737386_100000184502 [0,1,0,0,0,1|1,0,0]=3 4047 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_200000737386_100000184502 [0,1,0,0,0,1|1,0,0]=3 4048 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_200000737386_100000184502 [0,1,0,0,0,1|1,0,0]=3 4049 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)F 11a_200000737386_100000718793 [0,1,0,0,0,1|1,0,0]=3 4050 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)F 1626a_200000737386_100000718793 [0,1,0,0,0,1|1,0,0]=3 4051 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)F 240690a_200000737386_100000718793 [0,1,0,0,0,1|1,0,0]=3 4052 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)I 11a_200000737386_100020647043 [0,1,0,0,0,1|1,0,0]=3 4053 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)I 1626a_200000737386_100020647043 [0,1,0,0,0,1|1,0,0]=3 4054 B18R1.17709 CC(C)CCCNC(=O)C=Cc1cccc(c1)I 240690a_200000737386_100020647043 [0,1,0,0,0,1|1,0,0]=3 4055 B18R1.17709 CC(C)CCOCC(=O)NCc1cccc(c1)Br 34a_100000210254_100011263252 [0,1,0,0,0,1|1,0,1]=4 4056 B18R1.17709 CC(C)CCOCC(=O)NCc1cccc(c1)Br 7a_100000210254_100011263252 [0,1,0,0,0,1|1,0,1]=4 4057 B18R1.17709 CC(C)CCOCC(=O)NCc1cccc(c1)Cl 34a_100000210254_100000181154 [0,1,0,0,0,1|1,0,1]=4 4058 B18R1.17709 CC(C)CCOCC(=O)NCc1cccc(c1)Cl 7a_100000210254_100000181154 [0,1,0,0,0,1|1,0,1]=4 4059 B18R1.17709 CC(C)CCOCC(=O)NCc1cccc(c1)F 34a_100000210254_100000738998 [0,1,0,0,0,1|1,0,1]=4 4060 B18R1.17709 CC(C)CCOCC(=O)NCc1cccc(c1)F 7a_100000210254_100000738998 [0,1,0,0,0,1|1,0,1]=4 4061 B18R1.17709 CC(C)COCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011216429 [0,1,0,0,0,1|1,0,0]=3 4062 B18R1.17709 CC(C)COCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011216429 [0,1,0,0,0,1|1,0,0]=3 4063 B18R1.17709 CC(C)COCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011216429 [0,1,0,0,0,1|1,0,0]=3 4064 B18R1.17709 CC(C)COCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_200011216429 [0,1,0,0,0,1|2,0,0]=4 4065 B18R1.17709 CC(C)COCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_200011216429 [0,1,0,0,0,1|2,0,0]=4 4066 B18R1.17709 CC(C)COCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_200011216429 [0,1,0,0,0,1|2,0,0]=4 4067 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)Br 11a_100000701111_100016258244 [0,1,0,0,0,1|1,0,0]=3 4068 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000701111_100016258244 [0,1,0,0,0,1|1,0,0]=3 4069 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000701111_100016258244 [0,1,0,0,0,1|1,0,0]=3 4070 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000701111_100000184502 [0,1,0,0,0,1|1,0,0]=3 4071 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000701111_100000184502 [0,1,0,0,0,1|1,0,0]=3 4072 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000701111_100000184502 [0,1,0,0,0,1|1,0,0]=3 4073 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)F 11a_100000701111_100000718793 [0,1,0,0,0,1|1,0,0]=3 4074 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)F 1626a_100000701111_100000718793 [0,1,0,0,0,1|1,0,0]=3 4075 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)F 240690a_100000701111_100000718793 [0,1,0,0,0,1|1,0,0]=3 4076 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)I 11a_100000701111_100020647043 [0,1,0,0,0,1|1,0,0]=3 4077 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)I 1626a_100000701111_100020647043 [0,1,0,0,0,1|1,0,0]=3 4078 B18R1.17709 CC(C)OCCNC(=O)C=Cc1cccc(c1)I 240690a_100000701111_100020647043 [0,1,0,0,0,1|1,0,0]=3 4079 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)Br 11a_100000731138_100016258244 [0,1,0,0,0,1|1,0,0]=3 4080 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000731138_100016258244 [0,1,0,0,0,1|1,0,0]=3 4081 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000731138_100016258244 [0,1,0,0,0,1|1,0,0]=3 4082 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000731138_100000184502 [0,1,0,0,0,1|1,0,0]=3 4083 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000731138_100000184502 [0,1,0,0,0,1|1,0,0]=3 4084 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000731138_100000184502 [0,1,0,0,0,1|1,0,0]=3 4085 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)F 11a_100000731138_100000718793 [0,1,0,0,0,1|1,0,0]=3 4086 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)F 1626a_100000731138_100000718793 [0,1,0,0,0,1|1,0,0]=3 4087 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)F 240690a_100000731138_100000718793 [0,1,0,0,0,1|1,0,0]=3 4088 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)I 11a_100000731138_100020647043 [0,1,0,0,0,1|1,0,0]=3 4089 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)I 1626a_100000731138_100020647043 [0,1,0,0,0,1|1,0,0]=3 4090 B18R1.17709 CC(C)SCCNC(=O)C=Cc1cccc(c1)I 240690a_100000731138_100020647043 [0,1,0,0,0,1|1,0,0]=3 4091 B18R1.17709 CN(C)CCCNC(=O)C=Cc1cccc(c1)Br 240690a_102531767803_100016258244 [0,1,0,0,0,1|2,0,0]=4 4092 B18R1.17709 CN(C)CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_102531767803_100000184502 [0,1,0,0,0,1|2,0,0]=4 4093 B18R1.17709 CN(C)CCCNC(=O)C=Cc1cccc(c1)F 240690a_102531767803_100000718793 [0,1,0,0,0,1|2,0,0]=4 4094 B18R1.17709 CN(C)CCCNC(=O)C=Cc1cccc(c1)I 240690a_102531767803_100020647043 [0,1,0,0,0,1|2,0,0]=4 4095 B18R1.17709 CN(C)CCNNC(=O)C=Cc1cccc(c1)Br 22a_100000738145_100016258244 [0,1,0,0,0,1|2,0,0]=4 4096 B18R1.17709 CN(C)CCNNC(=O)C=Cc1cccc(c1)Cl 22a_100000738145_100000184502 [0,1,0,0,0,1|2,0,0]=4 4097 B18R1.17709 CN(C)CCNNC(=O)C=Cc1cccc(c1)F 22a_100000738145_100000718793 [0,1,0,0,0,1|2,0,0]=4 4098 B18R1.17709 CN(C)CCNNC(=O)C=Cc1cccc(c1)I 22a_100000738145_100020647043 [0,1,0,0,0,1|2,0,0]=4 4099 B18R1.17709 CN(C)CCNNC(=O)C=Cc1cccc(c1)O 22a_100000738145_100102525460 [0,1,0,0,0,1|2,0,0]=4 4100 B18R1.17709 Cc1cccc(c1)C=CC(=O)CCCCC(C)C 1458a_100000690095_100011216152 [0,1,0,0,0,1|1,0,0]=3 4101 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCCC(C)C 11a_200000737386_100000690095 [0,1,0,0,0,1|1,0,0]=3 4102 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCCC(C)C 1626a_200000737386_100000690095 [0,1,0,0,0,1|1,0,0]=3 4103 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCCC(C)C 240690a_200000737386_100000690095 [0,1,0,0,0,1|1,0,0]=3 4104 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCCN(C)C 240690a_102531767803_100000690095 [0,1,0,0,0,1|2,0,0]=4 4105 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCOC(C)C 11a_100000701111_100000690095 [0,1,0,0,0,1|1,0,0]=3 4106 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCOC(C)C 1626a_100000701111_100000690095 [0,1,0,0,0,1|1,0,0]=3 4107 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCOC(C)C 240690a_100000701111_100000690095 [0,1,0,0,0,1|1,0,0]=3 4108 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCSC(C)C 11a_100000731138_100000690095 [0,1,0,0,0,1|1,0,0]=3 4109 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCSC(C)C 1626a_100000731138_100000690095 [0,1,0,0,0,1|1,0,0]=3 4110 B18R1.17709 Cc1cccc(c1)C=CC(=O)NCCSC(C)C 240690a_100000731138_100000690095 [0,1,0,0,0,1|1,0,0]=3 4111 B18R1.17709 Cc1cccc(c1)C=CC(=O)NNCCN(C)C 22a_100000738145_100000690095 [0,1,0,0,0,1|2,0,0]=4 4112 B18R1.17709 Cc1cccc(c1)CNC(=O)COCCC(C)C 34a_100000210254_100000754571 [0,1,0,0,0,1|1,0,1]=4 4113 B18R1.17709 Cc1cccc(c1)CNC(=O)COCCC(C)C 7a_100000210254_100000754571 [0,1,0,0,0,1|1,0,1]=4 4114 B18R1.17709 Cc1cncc(c1)C=CC(=O)CCOCC(C)C 6a_100011998712_200011216429 [0,1,0,0,0,1|2,0,0]=4 4115 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)CCCCC(C)C 1458a_100016990649_100011216152 [0,1,0,0,0,1|1,0,0]=3 4116 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCCC(C)C 11a_200000737386_100016990649 [0,1,0,0,0,1|1,0,0]=3 4117 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCCC(C)C 1626a_200000737386_100016990649 [0,1,0,0,0,1|1,0,0]=3 4118 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCCC(C)C 527a_200000737386_100016990649 [0,1,0,0,0,1|1,0,0]=3 4119 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCCN(C)C 527a_102531767803_100016990649 [0,1,0,0,0,1|2,0,0]=4 4120 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCOC(C)C 11a_100000701111_100016990649 [0,1,0,0,0,1|1,0,0]=3 4121 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCOC(C)C 1626a_100000701111_100016990649 [0,1,0,0,0,1|1,0,0]=3 4122 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCOC(C)C 527a_100000701111_100016990649 [0,1,0,0,0,1|1,0,0]=3 4123 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCSC(C)C 11a_100000731138_100016990649 [0,1,0,0,0,1|1,0,0]=3 4124 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCSC(C)C 1626a_100000731138_100016990649 [0,1,0,0,0,1|1,0,0]=3 4125 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NCCSC(C)C 527a_100000731138_100016990649 [0,1,0,0,0,1|1,0,0]=3 4126 B18R1.20704 C/C(=C\c1ccccc1)/C(=O)NNCCN(C)C 22a_100000738145_100016990649 [0,1,0,0,0,1|2,0,0]=4 4127 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)CCCCC(C)C 1458a_100025712827_100011216152 [0,1,0,0,0,1|2,0,0]=4 4128 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)NCCCC(C)C 11a_200000737386_100025712827 [0,1,0,0,0,1|2,0,0]=4 4129 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)NCCCC(C)C 1626a_200000737386_100025712827 [0,1,0,0,0,1|2,0,0]=4 4130 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)NCCCC(C)C 527a_200000737386_100025712827 [0,1,0,0,0,1|2,0,0]=4 4131 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)NCCOC(C)C 11a_100000701111_100025712827 [0,1,0,0,0,1|2,0,0]=4 4132 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)NCCOC(C)C 1626a_100000701111_100025712827 [0,1,0,0,0,1|2,0,0]=4 4133 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)NCCOC(C)C 527a_100000701111_100025712827 [0,1,0,0,0,1|2,0,0]=4 4134 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)NCCSC(C)C 11a_100000731138_100025712827 [0,1,0,0,0,1|2,0,0]=4 4135 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)NCCSC(C)C 1626a_100000731138_100025712827 [0,1,0,0,0,1|2,0,0]=4 4136 B18R1.20704 C/C(=C\c1ccccn1)/C(=O)NCCSC(C)C 527a_100000731138_100025712827 [0,1,0,0,0,1|2,0,0]=4 4137 B18R1.20704 C=C(Cc1ccccc1)C(=O)NCCCC(C)C 11a_200000737386_100000066491 [0,1,0,0,0,1|1,0,1]=4 4138 B18R1.20704 C=C(Cc1ccccc1)C(=O)NCCCC(C)C 1626a_200000737386_100000066491 [0,1,0,0,0,1|1,0,1]=4 4139 B18R1.20704 C=C(Cc1ccccc1)C(=O)NCCOC(C)C 11a_100000701111_100000066491 [0,1,0,0,0,1|1,0,1]=4 4140 B18R1.20704 C=C(Cc1ccccc1)C(=O)NCCOC(C)C 1626a_100000701111_100000066491 [0,1,0,0,0,1|1,0,1]=4 4141 B18R1.20704 C=C(Cc1ccccc1)C(=O)NCCSC(C)C 11a_100000731138_100000066491 [0,1,0,0,0,1|1,0,1]=4 4142 B18R1.20704 C=C(Cc1ccccc1)C(=O)NCCSC(C)C 1626a_100000731138_100000066491 [0,1,0,0,0,1|1,0,1]=4 4143 B18R1.20704 CC(C)CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011216152 [0,1,0,0,0,1|1,0,0]=3 4144 B18R1.20704 CC(C)CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011216152 [0,1,0,0,0,1|1,0,0]=3 4145 B18R1.20704 CC(C)CCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011216152 [0,1,0,0,0,1|2,0,0]=4 4146 B18R1.20704 CC(C)CCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011216152 [0,1,0,0,0,1|2,0,0]=4 4147 B18R1.20704 CC(C)CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_200000737386_200020598536 [0,1,0,0,0,1|1,0,0]=3 4148 B18R1.20704 CC(C)CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_200000737386_200020598536 [0,1,0,0,0,1|1,0,0]=3 4149 B18R1.20704 CC(C)CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_200000737386_200020598536 [0,1,0,0,0,1|1,0,0]=3 4150 B18R1.20704 CC(C)CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_200000737386_200020598536 [0,1,0,0,0,1|1,0,0]=3 4151 B18R1.20704 CC(C)CCCNC(=O)/C(=C\c1ccccc1)/F 11a_200000737386_100020889036 [0,1,0,0,0,1|1,0,0]=3 4152 B18R1.20704 CC(C)CCCNC(=O)/C(=C\c1ccccc1)/F 527a_200000737386_100020889036 [0,1,0,0,0,1|1,0,0]=3 4153 B18R1.20704 CC(C)CCCNC(=O)C(=Cc1cccnc1)F 11a_200000737386_100000731744 [0,1,0,0,0,1|2,0,0]=4 4154 B18R1.20704 CC(C)CCCNC(=O)C(=Cc1cccnc1)F 240690a_200000737386_100000731744 [0,1,0,0,0,1|2,0,0]=4 4155 B18R1.20704 CC(C)CCCNC(=O)C(=Cc1cccnc1)F 527a_200000737386_100000731744 [0,1,0,0,0,1|2,0,0]=4 4156 B18R1.20704 CC(C)CCCNC(=O)C(=O)Nc1ccccc1 240690a_200000737386_100000738435 [0,1,0,0,0,1|2,0,0]=4 4157 B18R1.20704 CC(C)CCOCC(=O)N(C)Cc1ccccc1 34a_100000210254_100000182870 [0,1,0,0,0,1|1,0,1]=4 4158 B18R1.20704 CC(C)CCOCC(=O)N(C)Cc1ccccc1 7a_100000210254_100000182870 [0,1,0,0,0,1|1,0,1]=4 4159 B18R1.20704 CC(C)OCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000701111_200020598536 [0,1,0,0,0,1|1,0,0]=3 4160 B18R1.20704 CC(C)OCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000701111_200020598536 [0,1,0,0,0,1|1,0,0]=3 4161 B18R1.20704 CC(C)OCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000701111_200020598536 [0,1,0,0,0,1|1,0,0]=3 4162 B18R1.20704 CC(C)OCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000701111_200020598536 [0,1,0,0,0,1|1,0,0]=3 4163 B18R1.20704 CC(C)OCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000701111_100020889036 [0,1,0,0,0,1|1,0,0]=3 4164 B18R1.20704 CC(C)OCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000701111_100020889036 [0,1,0,0,0,1|1,0,0]=3 4165 B18R1.20704 CC(C)OCCNC(=O)C(=Cc1cccnc1)F 11a_100000701111_100000731744 [0,1,0,0,0,1|2,0,0]=4 4166 B18R1.20704 CC(C)OCCNC(=O)C(=Cc1cccnc1)F 240690a_100000701111_100000731744 [0,1,0,0,0,1|2,0,0]=4 4167 B18R1.20704 CC(C)OCCNC(=O)C(=Cc1cccnc1)F 527a_100000701111_100000731744 [0,1,0,0,0,1|2,0,0]=4 4168 B18R1.20704 CC(C)OCCNC(=O)C(=O)Nc1ccccc1 240690a_100000701111_100000738435 [0,1,0,0,0,1|2,0,0]=4 4169 B18R1.20704 CC(C)SCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000731138_200020598536 [0,1,0,0,0,1|1,0,0]=3 4170 B18R1.20704 CC(C)SCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000731138_200020598536 [0,1,0,0,0,1|1,0,0]=3 4171 B18R1.20704 CC(C)SCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000731138_200020598536 [0,1,0,0,0,1|1,0,0]=3 4172 B18R1.20704 CC(C)SCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000731138_200020598536 [0,1,0,0,0,1|1,0,0]=3 4173 B18R1.20704 CC(C)SCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000731138_100020889036 [0,1,0,0,0,1|1,0,0]=3 4174 B18R1.20704 CC(C)SCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000731138_100020889036 [0,1,0,0,0,1|1,0,0]=3 4175 B18R1.20704 CC(C)SCCNC(=O)C(=Cc1cccnc1)F 11a_100000731138_100000731744 [0,1,0,0,0,1|2,0,0]=4 4176 B18R1.20704 CC(C)SCCNC(=O)C(=Cc1cccnc1)F 240690a_100000731138_100000731744 [0,1,0,0,0,1|2,0,0]=4 4177 B18R1.20704 CC(C)SCCNC(=O)C(=Cc1cccnc1)F 527a_100000731138_100000731744 [0,1,0,0,0,1|2,0,0]=4 4178 B18R1.20704 CC(C)SCCNC(=O)C(=O)Nc1ccccc1 240690a_100000731138_100000738435 [0,1,0,0,0,1|2,0,0]=4 4179 B18R1.20704 CN(C)CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_102531767803_200020598536 [0,1,0,0,0,1|2,0,0]=4 4180 B18R1.20704 CN(C)CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_102531767803_200020598536 [0,1,0,0,0,1|2,0,0]=4 4181 B18R1.20704 CN(C)CCCNC(=O)/C(=C\c1ccccc1)/F 527a_102531767803_100020889036 [0,1,0,0,0,1|2,0,0]=4 4182 B18R1.20704 CN(C)CCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000738145_200020598536 [0,1,0,0,0,1|2,0,0]=4 4183 B18R1.20704 CN(C)CCNNC(=O)/C(=C\c1ccccc1)/F 22a_100000738145_100020889036 [0,1,0,0,0,1|2,0,0]=4 4184 B18R1.21065 CC(C)CCOC(C)C(=O)NCc1ccccc1 34a_100000210254_200011934207 [0,1,0,0,0,1|1,0,1]=4 4185 B18R1.21065 CC(C)CCOC(C)C(=O)NCc1ccccc1 7a_100000210254_100000183842 [0,1,0,0,0,1|1,0,1]=4 4186 B18R1.21065 CC(C)CCOC(F)C(=O)OCc1ccccc1 34a_100000210254_100000036447 [0,1,0,0,0,1|1,0,1]=4 4187 B18R1.21065 CC(C)CCOC(F)C(=O)OCc1ccccc1 7a_100000210254_100000036447 [0,1,0,0,0,1|1,0,1]=4 4188 B18R1.21065 CC(C)CCO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100000210626 [0,1,0,0,0,1|1,0,1]=4 4189 B18R1.21106 CC(C)CCC(C)NC(=O)C=Cc1ccccc1 11a_100138410893_100000210462 [0,1,0,0,0,1|1,0,0]=3 4190 B18R1.21106 CC(C)CCC(C)NC(=O)C=Cc1ccccc1 1626a_100138410893_100000210462 [0,1,0,0,0,1|1,0,0]=3 4191 B18R1.21106 CC(C)CCC(C)NC(=O)C=Cc1ccccn1 11a_100138410893_100000740811 [0,1,0,0,0,1|2,0,0]=4 4192 B18R1.21106 CC(C)CCC(C)NC(=O)C=Cc1ccccn1 240690a_100138410893_100000740811 [0,1,0,0,0,1|2,0,0]=4 4193 B18R1.21106 CC(C)CCC(C)NC(=O)C=Cc1cccnc1 11a_100138410893_100000735890 [0,1,0,0,0,1|2,0,0]=4 4194 B18R1.21106 CC(C)CCC(C)NC(=O)C=Cc1cccnc1 240690a_100138410893_100000735890 [0,1,0,0,0,1|2,0,0]=4 4195 B18R1.21106 CC(C)CCC(C)NC(=O)C=Cc1ccncc1 240690a_100138410893_100000682801 [0,1,0,0,0,1|2,0,0]=4 4196 B18R1.21106 CC(C)CNC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183291 [0,1,0,0,0,1|1,0,1]=4 4197 B18R1.21106 CC(C)CSC(C)OC(=O)OCc1ccccc1 62a_100000210624_200015597219 [0,1,0,0,0,1|1,0,1]=4 4198 B18R1.21106 CC(C)CSC(C)OC(=O)OCc1ccccc1 62a_200015597219_100000210760 [0,1,0,0,0,1|1,0,1]=4 4199 B18R1.21409 CC(C)(C)CCOCC(=O)CCc1ccccc1 7a_100000765024_100012361361 [0,1,0,0,0,1|0,0,2]=4 4200 B18R1.21409 CC(C)(C)CCOCC(=O)NCc1ccccc1 7a_100000765024_100000183539 [0,1,0,0,0,1|1,0,1]=4 4201 B18R1.21409 CC(C)(C)CCOCC(=O)OCc1ccccc1 7a_100000765024_100000753625 [0,1,0,0,0,1|1,0,1]=4 4202 B18R1.21409 CC(C)(C)OCCNC(=O)C=Cc1ccccc1 11a_100000747557_100000210462 [0,1,0,0,0,1|1,0,0]=3 4203 B18R1.21409 CC(C)(C)OCCNC(=O)C=Cc1ccccc1 1626a_100000747557_100000210462 [0,1,0,0,0,1|1,0,0]=3 4204 B18R1.21409 CC(C)(C)OCCNC(=O)C=Cc1ccccn1 11a_100000747557_100000740811 [0,1,0,0,0,1|2,0,0]=4 4205 B18R1.21409 CC(C)(C)OCCNC(=O)C=Cc1ccccn1 240690a_100000747557_100000740811 [0,1,0,0,0,1|2,0,0]=4 4206 B18R1.21409 CC(C)(C)OCCNC(=O)C=Cc1cccnc1 11a_100000747557_100000735890 [0,1,0,0,0,1|2,0,0]=4 4207 B18R1.21409 CC(C)(C)OCCNC(=O)C=Cc1cccnc1 240690a_100000747557_100000735890 [0,1,0,0,0,1|2,0,0]=4 4208 B18R1.21409 CC(C)(C)OCCNC(=O)C=Cc1ccncc1 240690a_100000747557_100000682801 [0,1,0,0,0,1|2,0,0]=4 4209 B18R1.21409 CC(C)(C)SCCNC(=O)C=Cc1ccccc1 11a_100000689375_100000210462 [0,1,0,0,0,1|1,0,0]=3 4210 B18R1.21409 CC(C)(C)SCCNC(=O)C=Cc1ccccc1 1626a_100000689375_100000210462 [0,1,0,0,0,1|1,0,0]=3 4211 B18R1.21409 CC(C)(C)SCCNC(=O)C=Cc1ccccn1 11a_100000689375_100000740811 [0,1,0,0,0,1|2,0,0]=4 4212 B18R1.21409 CC(C)(C)SCCNC(=O)C=Cc1ccccn1 240690a_100000689375_100000740811 [0,1,0,0,0,1|2,0,0]=4 4213 B18R1.21409 CC(C)(C)SCCNC(=O)C=Cc1cccnc1 11a_100000689375_100000735890 [0,1,0,0,0,1|2,0,0]=4 4214 B18R1.21409 CC(C)(C)SCCNC(=O)C=Cc1cccnc1 240690a_100000689375_100000735890 [0,1,0,0,0,1|2,0,0]=4 4215 B18R1.21409 CC(C)(C)SCCNC(=O)C=Cc1ccncc1 240690a_100000689375_100000682801 [0,1,0,0,0,1|2,0,0]=4 4216 B18R1.21409 C[Si](C)(C)CCCNC(=O)C=Cc1ccccc1 1626a_100000725946_100000210462 [0,1,0,0,0,1|1,1,0]=4 4217 B18R1.21409 C[Si](C)(C)CCOCC(=O)C=Cc1ccccc1 1458a_100000210462_100000032501 [0,1,0,0,0,1|0,1,0]=3 4218 B18R1.21409 C[Si](C)(C)CCOCC(=O)C=Cc1ccccn1 1458a_100000740811_100000032501 [0,1,0,0,0,1|1,1,0]=4 4219 B18R1.21409 C[Si](C)(C)CCOCC(=O)C=Cc1cccnc1 1458a_100000735890_100000032501 [0,1,0,0,0,1|1,1,0]=4 4220 B18R1.21409 C[Si](C)(C)CCOCC(=O)C=Cc1ccncc1 1458a_100000682801_100000032501 [0,1,0,0,0,1|1,1,0]=4 4221 B18R1.36789 CC(C)CCCNS(=O)(=O)C=Cc1ccccc1 40a_200000737386_100011098038 [0,1,0,0,0,1|2,0,0]=4 4222 B18R1.36789 CC(C)OCCNS(=O)(=O)C=Cc1ccccc1 40a_100000701111_100011098038 [0,1,0,0,0,1|2,0,0]=4 4223 B18R1.36789 CC(C)SCCNS(=O)(=O)C=Cc1ccccc1 40a_100000731138_100011098038 [0,1,0,0,0,1|2,0,0]=4 4224 B18R1.37165 CC(C)CC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210624 [0,1,0,0,0,1|1,0,0]=3 4225 B18R1.37165 CC(C)CC(=O)NNC(=O)C=Cc1ccccc1 22a_100000189787_100000210462 [0,1,0,0,0,1|1,0,1]=4 4226 B18R1.37165 CC(C)CC(C)OCC(=O)CCc1ccccc1 34a_100000211805_100012361361 [0,1,0,0,0,1|0,0,2]=4 4227 B18R1.37165 CC(C)CC(C)OCC(=O)CCc1ccccc1 7a_100000211805_100012361361 [0,1,0,0,0,1|0,0,2]=4 4228 B18R1.37165 CC(C)CC(C)OCC(=O)NCc1ccccc1 34a_100000211805_100000183539 [0,1,0,0,0,1|1,0,1]=4 4229 B18R1.37165 CC(C)CC(C)OCC(=O)NCc1ccccc1 7a_100000211805_100000183539 [0,1,0,0,0,1|1,0,1]=4 4230 B18R1.37165 CC(C)CC(C)OCC(=O)OCc1ccccc1 34a_100000211805_100000753625 [0,1,0,0,0,1|1,0,1]=4 4231 B18R1.37165 CC(C)CC(C)OCC(=O)OCc1ccccc1 7a_100000211805_100000753625 [0,1,0,0,0,1|1,0,1]=4 4232 B18R1.37165 CC(C)NC(=O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000737564 [0,1,0,0,0,1|1,0,1]=4 4233 B18R1.37165 CC(C)NC(=O)CNC(=O)/C=C/c1ccccc1 11a_100138425928_100000183125 [0,1,0,0,0,1|1,0,1]=4 4234 B18R1.37165 CC(C)NC(=O)CNC(=O)/C=C/c1ccccc1 240690a_100138425928_100000183125 [0,1,0,0,0,1|1,0,1]=4 4235 B18R1.37165 CC(C)NC(=O)CNC(=O)/C=C/c1ccccc1 527a_100138425928_100000183125 [0,1,0,0,0,1|1,0,1]=4 4236 B18R1.37165 CC(C)NC(=O)CNC(=O)C=Cc1ccccc1 11a_100000168517_100000210462 [0,1,0,0,0,1|1,0,1]=4 4237 B18R1.37165 CC(C)NC(=O)CNC(=O)C=Cc1ccccc1 1626a_100000168517_100000210462 [0,1,0,0,0,1|1,0,1]=4 4238 B18R1.37165 CC(C)OC(=O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000760027 [0,1,0,0,0,1|1,0,1]=4 4239 B18R1.37165 CC(C)OC(=O)OCC(=O)C=Cc1ccccc1 1458a_100000210462_100000003507 [0,1,0,0,0,1|1,0,1]=4 4240 B18R1.37165 CC(O)CC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100011218427 [0,1,0,0,0,1|2,0,0]=4 4241 B18R1.10622 CC(C)CCCC(=O)CCC(=O)c1ccccc1 1458a_100011216857_100000750707 [0,1,0,0,0,1|1,0,1]=4 4242 B18R1.10622 CC(C)CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100011214892 [0,1,0,0,0,1|1,0,1]=4 4243 B18R1.10622 CC(C)CCCC(=O)COC(=O)c1ccccc1 1458a_100011216857_100000073877 [0,1,0,0,0,1|1,0,1]=4 4244 B18R1.10622 CC(C)CCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100011214892 [0,1,0,0,0,1|1,0,1]=4 4245 B18R1.10622 CC(C)CCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100011216857 [0,1,0,0,0,1|2,0,0]=4 4246 B18R1.10622 CC(C)CCNC(=O)CNC(=O)c1ccccc1 11a_100000210545_100000182045 [0,1,0,0,0,1|1,0,1]=4 4247 B18R1.10622 CC(C)CCNC(=O)CNC(=O)c1ccccc1 1626a_100000210545_100000182045 [0,1,0,0,0,1|1,0,1]=4 4248 B18R1.10622 CC(C)CCNC(=O)CNC(=O)c1ccccc1 240690a_100000210545_100000182045 [0,1,0,0,0,1|1,0,1]=4 4249 B18R1.10622 CC(C)CCNC(=O)CNC(=O)c1ccccc1 527a_100000210545_100000182045 [0,1,0,0,0,1|1,0,1]=4 4250 B18R1.10622 CC(C)CCNC(=O)CSC(=S)c1ccccc1 1626a_100000210545_100000043459 [0,1,0,0,0,1|1,0,1]=4 4251 B18R1.10622 CC(C)CCNC(=O)CSC(=S)c1ccccc1 240690a_100000210545_100000043459 [0,1,0,0,0,1|1,0,1]=4 4252 B18R1.10622 CC(C)CCNC(=O)CSC(=S)c1ccccc1 527a_100000210545_100000043459 [0,1,0,0,0,1|1,0,1]=4 4253 B18R1.10622 CC(C)CCNC(=O)NNC(=O)c1ccccc1 273464a_100000210545_100000184135 [0,1,0,0,0,1|2,0,0]=4 4254 B18R1.10622 CC(C)CCNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100000210545 [0,1,0,0,0,1|2,0,0]=4 4255 B18R1.21059 CC(C)CCCC(=O)CC(=O)Cc1ccccc1 1458a_100011216857_100000233483 [0,1,0,0,0,1|1,0,1]=4 4256 B18R1.21059 CC(C)CCCC(=O)CC(=O)Nc1ccccc1 1458a_100011216857_100000182850 [0,1,0,0,0,1|1,0,1]=4 4257 B18R1.21059 CC(C)CCCC(=O)CC(=O)Oc1ccccc1 1458a_100011216857_100009813826 [0,1,0,0,0,1|1,0,1]=4 4258 B18R1.21059 CC(C)CCNC(=O)CC(=O)Oc1ccccc1 240690a_100000210545_200000075362 [0,1,0,0,0,1|1,0,1]=4 4259 B18R1.21066 CC(C)C(O)CNC(=O)C/C=C/c1ccccc1 11a_100000759067_100011219626 [0,1,0,0,0,1|1,0,0]=3 4260 B18R1.21066 CC(C)C(O)CNC(=O)C/C=C/c1ccccc1 240690a_100000759067_100011219626 [0,1,0,0,0,1|1,0,0]=3 4261 B18R1.21066 CC(C)C(O)CNC(=O)C=CSc1ccccc1 11a_100000759067_100016262050 [0,1,0,0,0,1|1,0,0]=3 4262 B18R1.21066 CC(C)C(O)CNC(=O)C=CSc1ccccc1 240690a_100000759067_100016262050 [0,1,0,0,0,1|1,0,0]=3 4263 B18R1.21066 CC(C)N(C)CCC(=O)C/C=C/c1ccccc1 1458a_100015184040_100016265936 [0,1,0,0,0,1|2,0,0]=4 4264 B18R1.21398 CC(C)(C)CCNC(=O)C/C=C/c1ccccc1 11a_100000738805_100011219626 [0,1,0,0,0,1|1,0,0]=3 4265 B18R1.21398 CC(C)(C)CCNC(=O)C/C=C/c1ccccc1 1626a_100000738805_100011219626 [0,1,0,0,0,1|1,0,0]=3 4266 B18R1.21398 CC(C)(C)CCNC(=O)C/C=C/c1ccccc1 240690a_100000738805_100011219626 [0,1,0,0,0,1|1,0,0]=3 4267 B18R1.21398 CC(C)(C)CCNC(=O)C=CSc1ccccc1 11a_100000738805_100016262050 [0,1,0,0,0,1|1,0,0]=3 4268 B18R1.21398 CC(C)(C)CCNC(=O)C=CSc1ccccc1 1626a_100000738805_100016262050 [0,1,0,0,0,1|1,0,0]=3 4269 B18R1.21398 CC(C)(C)CCNC(=O)C=CSc1ccccc1 240690a_100000738805_100016262050 [0,1,0,0,0,1|1,0,0]=3 4270 B18R1.21398 CC(C)(F)CCNC(=O)C/C=C/c1ccccc1 11a_100016253952_100011219626 [0,1,0,0,0,1|1,0,0]=3 4271 B18R1.21398 CC(C)(F)CCNC(=O)C/C=C/c1ccccc1 1626a_100016253952_100011219626 [0,1,0,0,0,1|1,0,0]=3 4272 B18R1.21398 CC(C)(F)CCNC(=O)C/C=C/c1ccccc1 240690a_100016253952_100011219626 [0,1,0,0,0,1|1,0,0]=3 4273 B18R1.21398 CC(C)(F)CCNC(=O)C=CSc1ccccc1 11a_100016253952_100016262050 [0,1,0,0,0,1|1,0,0]=3 4274 B18R1.21398 CC(C)(F)CCNC(=O)C=CSc1ccccc1 1626a_100016253952_100016262050 [0,1,0,0,0,1|1,0,0]=3 4275 B18R1.21398 CC(C)(F)CCNC(=O)C=CSc1ccccc1 240690a_100016253952_100016262050 [0,1,0,0,0,1|1,0,0]=3 4276 B18R1.21398 CC(C)(O)CCNC(=O)C/C=C/c1ccccc1 1626a_100000707701_100011219626 [0,1,0,0,0,1|1,0,0]=3 4277 B18R1.21398 CC(C)(O)CCNC(=O)C=CSc1ccccc1 1626a_100000707701_100016262050 [0,1,0,0,0,1|1,0,0]=3 4278 B18R1.21398 C[N+](C)(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100000085584_100016265936 [0,1,0,0,0,1|2,0,0]=4 4279 B18R1.21398 C[N+](C)(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100016990835 [0,1,0,0,0,1|2,0,0]=4 4280 B18R1.21398 C[N+](C)(C)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100016990835 [0,1,0,0,0,1|2,0,0]=4 4281 B18R1.21398 C[N+](C)(C)CCNC(=O)C/C=C/c1ccccc1 1626a_100000106457_100011219626 [0,1,0,0,0,1|2,0,0]=4 4282 B18R1.21398 C[N+](C)(C)CCNC(=O)C/C=C/c1ccccc1 240690a_100000106457_100011219626 [0,1,0,0,0,1|2,0,0]=4 4283 B18R1.21398 C[N+](C)(C)CCNC(=O)C=CSc1ccccc1 1626a_100000106457_100016262050 [0,1,0,0,0,1|2,0,0]=4 4284 B18R1.21398 C[N+](C)(C)CCNC(=O)C=CSc1ccccc1 240690a_100000106457_100016262050 [0,1,0,0,0,1|2,0,0]=4 4285 B18R1.21398 C[Si](C)(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011219597 [0,1,0,0,0,1|1,1,0]=4 4286 B18R1.21398 C[Si](C)(C)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011219597 [0,1,0,0,0,1|1,1,0]=4 4287 B18R1.34845 CC(CO)CCNC(=O)C/C=C/c1ccccc1 240690a_106354213184_100011219626 [0,1,0,0,0,1|1,0,0]=3 4288 B18R1.34845 CC(CO)CCNC(=O)C=CSc1ccccc1 240690a_106354213184_100016262050 [0,1,0,0,0,1|1,0,0]=3 4289 B18R1.34845 CCC(C)CCNC(=O)C/C=C/c1ccccc1 11a_100020591266_100011219626 [0,1,0,0,0,1|1,0,0]=3 4290 B18R1.34845 CCC(C)CCNC(=O)C/C=C/c1ccccc1 1626a_100020591266_100011219626 [0,1,0,0,0,1|1,0,0]=3 4291 B18R1.34845 CCC(C)CCNC(=O)C/C=C/c1ccccc1 240690a_100020591266_100011219626 [0,1,0,0,0,1|1,0,0]=3 4292 B18R1.34845 CCC(C)CCNC(=O)C=CSc1ccccc1 11a_100020591266_100016262050 [0,1,0,0,0,1|1,0,0]=3 4293 B18R1.34845 CCC(C)CCNC(=O)C=CSc1ccccc1 1626a_100020591266_100016262050 [0,1,0,0,0,1|1,0,0]=3 4294 B18R1.34845 CCC(C)CCNC(=O)C=CSc1ccccc1 240690a_100020591266_100016262050 [0,1,0,0,0,1|1,0,0]=3 4295 B18R1.34845 CCN(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100015186262 [0,1,0,0,0,1|2,0,0]=4 4296 B18R1.34845 CCN(C)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100015186262 [0,1,0,0,0,1|2,0,0]=4 4297 B18R1.36849 CC(C)CC(C)NC(=O)C/C=C/c1ccccc1 11a_100000692259_100011219626 [0,1,0,0,0,1|1,0,0]=3 4298 B18R1.36849 CC(C)CC(C)NC(=O)C/C=C/c1ccccc1 1626a_100000692259_100011219626 [0,1,0,0,0,1|1,0,0]=3 4299 B18R1.36849 CC(C)CC(C)NC(=O)C/C=C/c1ccccc1 240690a_100000692259_100011219626 [0,1,0,0,0,1|1,0,0]=3 4300 B18R1.36849 CC(C)CC(C)NC(=O)C=CSc1ccccc1 11a_100000692259_100016262050 [0,1,0,0,0,1|1,0,0]=3 4301 B18R1.36849 CC(C)CC(C)NC(=O)C=CSc1ccccc1 1626a_100000692259_100016262050 [0,1,0,0,0,1|1,0,0]=3 4302 B18R1.36849 CC(C)CC(C)NC(=O)C=CSc1ccccc1 240690a_100000692259_100016262050 [0,1,0,0,0,1|1,0,0]=3 4303 B18R1.36849 CC(CN(C)C)NC(=O)C/C=C/c1ccccc1 11a_100016992788_100011219626 [0,1,0,0,0,1|2,0,0]=4 4304 B18R1.36849 CC(CN(C)C)NC(=O)C/C=C/c1ccccc1 240690a_100016992788_100011219626 [0,1,0,0,0,1|2,0,0]=4 4305 B18R1.36849 CC(CN(C)C)NC(=O)C=CSc1ccccc1 11a_100016992788_100016262050 [0,1,0,0,0,1|2,0,0]=4 4306 B18R1.36849 CC(CN(C)C)NC(=O)C=CSc1ccccc1 240690a_100016992788_100016262050 [0,1,0,0,0,1|2,0,0]=4 4307 B18R1.36867 CC(C)CCC(C)C(=O)C/C=C/c1ccccc1 1458a_100011219626_100011261404 [0,1,0,0,0,1|1,0,0]=3 4308 B18R1.36867 CC(C)CCC(C)C(=O)C=CSc1ccccc1 1458a_100016262050_100011261404 [0,1,0,0,0,1|1,0,0]=3 4309 B18R1.36867 CC(C)CCN(C)C(=O)C/C=C/c1ccccc1 11a_100000742789_100011219626 [0,1,0,0,0,1|1,0,0]=3 4310 B18R1.36867 CC(C)CCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000742789_100011219626 [0,1,0,0,0,1|1,0,0]=3 4311 B18R1.36867 CC(C)CCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000742789_100011219626 [0,1,0,0,0,1|1,0,0]=3 4312 B18R1.36867 CC(C)CCN(C)C(=O)C=CSc1ccccc1 11a_100000742789_100016262050 [0,1,0,0,0,1|1,0,0]=3 4313 B18R1.36867 CC(C)CCN(C)C(=O)C=CSc1ccccc1 1626a_100000742789_100016262050 [0,1,0,0,0,1|1,0,0]=3 4314 B18R1.36867 CC(C)CCN(C)C(=O)C=CSc1ccccc1 240690a_100000742789_100016262050 [0,1,0,0,0,1|1,0,0]=3 4315 B18R1.36867 CC(C)CNC(=O)C(=O)C/C=C/c1ccccc1 1458a_200011297155_100016265936 [0,1,0,0,0,1|2,0,0]=4 4316 B18R1.36867 CN(C)CCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000225618_100011219626 [0,1,0,0,0,1|2,0,0]=4 4317 B18R1.36867 CN(C)CCN(C)C(=O)C=CSc1ccccc1 240690a_100000225618_100016262050 [0,1,0,0,0,1|2,0,0]=4 4318 B18R1.1066 CC(=CC(=O)NCCC(C)CO)c1ccccc1 240690a_106354213184_100000743005 [0,2,0,0,0,0|1,0,0]=3 4319 B18R1.1066 CC(=CC(=O)NCCC(C)CO)c1ccccc1 527a_106354213184_100000743005 [0,2,0,0,0,0|1,0,0]=3 4320 B18R1.1066 CCC(C)CCNC(=O)C=C(C)c1ccccc1 11a_100020591266_100000743005 [0,2,0,0,0,0|1,0,0]=3 4321 B18R1.1066 CCC(C)CCNC(=O)C=C(C)c1ccccc1 1626a_100020591266_100000743005 [0,2,0,0,0,0|1,0,0]=3 4322 B18R1.1066 CCC(C)CCNC(=O)C=C(C)c1ccccc1 240690a_100020591266_100000743005 [0,2,0,0,0,0|1,0,0]=3 4323 B18R1.1066 CCC(C)CCNC(=O)C=C(C)c1ccccc1 527a_100020591266_100000743005 [0,2,0,0,0,0|1,0,0]=3 4324 B18R1.1066 CCN(C)CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100015186262 [0,2,0,0,0,0|2,0,0]=4 4325 B18R1.5064 CC(=CC(=O)C(C)CCC(C)C)c1ccccc1 1458a_100000743005_100011261404 [0,2,0,0,0,0|1,0,0]=3 4326 B18R1.5064 CC(=CC(=O)N(C)CCC(C)C)c1ccccc1 11a_100000742789_100000743005 [0,2,0,0,0,0|1,0,0]=3 4327 B18R1.5064 CC(=CC(=O)N(C)CCC(C)C)c1ccccc1 1626a_100000742789_100000743005 [0,2,0,0,0,0|1,0,0]=3 4328 B18R1.5064 CC(=CC(=O)N(C)CCC(C)C)c1ccccc1 240690a_100000742789_100000743005 [0,2,0,0,0,0|1,0,0]=3 4329 B18R1.5064 CC(=CC(=O)N(C)CCC(C)C)c1ccccc1 527a_100000742789_100000743005 [0,2,0,0,0,0|1,0,0]=3 4330 B18R1.5064 CC(=CC(=O)N(C)CCN(C)C)c1ccccc1 240690a_100000225618_100000743005 [0,2,0,0,0,0|2,0,0]=4 4331 B18R1.5064 CC(=CC(=O)N(C)CCN(C)C)c1ccccc1 527a_100000225618_100000743005 [0,2,0,0,0,0|2,0,0]=4 4332 B18R1.9956 CC(C)CCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100011216857_100000212080 [0,2,0,0,0,0|1,0,1]=4 4333 B18R1.9956 CC(C)CCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100011216857_100000211444 [0,2,0,0,0,0|1,0,1]=4 4334 B18R1.9956 CC(C)CCCC(=O)CC(=O)c1cccc(c1)F 1458a_100011216857_100000215616 [0,2,0,0,0,0|1,0,1]=4 4335 B18R1.9956 CC(C)CCCC(=O)CC(=O)c1cccc(c1)O 1458a_100011216857_100009813753 [0,2,0,0,0,0|1,0,1]=4 4336 B18R1.9956 Cc1cccc(c1)C(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000739480 [0,2,0,0,0,0|1,0,1]=4 4337 B18R1.13968 CC(C)CCCC(=O)CC(=O)c1ccccc1Br 1458a_100011216857_100000199116 [0,2,0,0,0,0|1,0,1]=4 4338 B18R1.13968 CC(C)CCCC(=O)CC(=O)c1ccccc1Cl 1458a_100011216857_100000211432 [0,2,0,0,0,0|1,0,1]=4 4339 B18R1.13968 CC(C)CCCC(=O)CC(=O)c1ccccc1F 1458a_100011216857_100000204681 [0,2,0,0,0,0|1,0,1]=4 4340 B18R1.13968 CC(C)CCCC(=O)CC(=O)c1ccccc1O 1458a_100011216857_100000188908 [0,2,0,0,0,0|1,0,1]=4 4341 B18R1.13968 Cc1ccccc1C(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000741374 [0,2,0,0,0,0|1,0,1]=4 4342 B18R1.20711 CC(C)CCCC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_100011214892 [0,2,0,0,0,0|2,0,0]=4 4343 B18R1.20711 CC(C)CCCC(=O)C(C)C(=O)c1ccccc1 1458a_100011216857_100000239700 [0,2,0,0,0,0|1,0,1]=4 4344 B18R1.20711 CC(C)CCNC(=O)C(=O)N(C)c1ccccc1 1626a_100000210545_100011297159 [0,2,0,0,0,0|2,0,0]=4 4345 B18R1.20711 CC(C)CCNC(=O)C(=O)N(C)c1ccccc1 240690a_100000210545_100011297159 [0,2,0,0,0,0|2,0,0]=4 4346 B18R1.20711 CC(C)CCNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000735922 [0,2,0,0,0,0|1,0,1]=4 4347 B18R1.21238 CC(=CC(=O)NC(C)CC(C)C)c1ccccc1 11a_100000692259_100000743005 [0,2,0,0,0,0|1,0,0]=3 4348 B18R1.21238 CC(=CC(=O)NC(C)CC(C)C)c1ccccc1 1626a_100000692259_100000743005 [0,2,0,0,0,0|1,0,0]=3 4349 B18R1.21238 CC(=CC(=O)NC(C)CC(C)C)c1ccccc1 240690a_100000692259_100000743005 [0,2,0,0,0,0|1,0,0]=3 4350 B18R1.21238 CC(=CC(=O)NC(C)CC(C)C)c1ccccc1 527a_100000692259_100000743005 [0,2,0,0,0,0|1,0,0]=3 4351 B18R1.21238 CC(=CC(=O)NC(C)CN(C)C)c1ccccc1 11a_100016992788_100000743005 [0,2,0,0,0,0|2,0,0]=4 4352 B18R1.21238 CC(=CC(=O)NC(C)CN(C)C)c1ccccc1 240690a_100016992788_100000743005 [0,2,0,0,0,0|2,0,0]=4 4353 B18R1.21238 CC(=CC(=O)NC(C)CN(C)C)c1ccccc1 527a_100016992788_100000743005 [0,2,0,0,0,0|2,0,0]=4 4354 B18R1.21388 CC(=CC(=O)NCC(O)C(C)C)c1ccccc1 11a_100000759067_100000743005 [0,2,0,0,0,0|1,0,0]=3 4355 B18R1.21388 CC(=CC(=O)NCC(O)C(C)C)c1ccccc1 240690a_100000759067_100000743005 [0,2,0,0,0,0|1,0,0]=3 4356 B18R1.21388 CC(=CC(=O)NCC(O)C(C)C)c1ccccc1 527a_100000759067_100000743005 [0,2,0,0,0,0|1,0,0]=3 4357 B18R1.32781 CC(C)CCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100011216857_100000188085 [0,2,0,0,0,0|1,0,1]=4 4358 B18R1.32781 CC(C)CCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100011216857_100000211071 [0,2,0,0,0,0|1,0,1]=4 4359 B18R1.32781 CC(C)CCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100011216857_100000211279 [0,2,0,0,0,0|1,0,1]=4 4360 B18R1.32781 CC(C)CCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100011216857_100011216261 [0,2,0,0,0,0|1,0,1]=4 4361 B18R1.32781 CC(C)CCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100011216857_100009814261 [0,2,0,0,0,0|1,0,1]=4 4362 B18R1.32781 Cc1ccc(cc1)C(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000211441 [0,2,0,0,0,0|1,0,1]=4 4363 B18R1.177105 CC(=CC(=O)CCC[N+](C)(C)C)c1ccccc1 1458a_100000743005_100016990835 [0,2,0,0,0,0|2,0,0]=4 4364 B18R1.177105 CC(=CC(=O)CCC[Si](C)(C)C)c1ccccc1 1458a_100000743005_100011219597 [0,2,0,0,0,0|1,1,0]=4 4365 B18R1.177105 CC(=CC(=O)NCCC(C)(C)C)c1ccccc1 11a_100000738805_100000743005 [0,2,0,0,0,0|1,0,0]=3 4366 B18R1.177105 CC(=CC(=O)NCCC(C)(C)C)c1ccccc1 1626a_100000738805_100000743005 [0,2,0,0,0,0|1,0,0]=3 4367 B18R1.177105 CC(=CC(=O)NCCC(C)(C)C)c1ccccc1 240690a_100000738805_100000743005 [0,2,0,0,0,0|1,0,0]=3 4368 B18R1.177105 CC(=CC(=O)NCCC(C)(C)C)c1ccccc1 527a_100000738805_100000743005 [0,2,0,0,0,0|1,0,0]=3 4369 B18R1.177105 CC(=CC(=O)NCCC(C)(C)F)c1ccccc1 11a_100016253952_100000743005 [0,2,0,0,0,0|1,0,0]=3 4370 B18R1.177105 CC(=CC(=O)NCCC(C)(C)F)c1ccccc1 1626a_100016253952_100000743005 [0,2,0,0,0,0|1,0,0]=3 4371 B18R1.177105 CC(=CC(=O)NCCC(C)(C)F)c1ccccc1 240690a_100016253952_100000743005 [0,2,0,0,0,0|1,0,0]=3 4372 B18R1.177105 CC(=CC(=O)NCCC(C)(C)F)c1ccccc1 527a_100016253952_100000743005 [0,2,0,0,0,0|1,0,0]=3 4373 B18R1.177105 CC(=CC(=O)NCCC(C)(C)O)c1ccccc1 1626a_100000707701_100000743005 [0,2,0,0,0,0|1,0,0]=3 4374 B18R1.177105 CC(=CC(=O)NCCC(C)(C)O)c1ccccc1 527a_100000707701_100000743005 [0,2,0,0,0,0|1,0,0]=3 4375 B18R1.177105 CC(=CC(=O)NCC[N+](C)(C)C)c1ccccc1 1626a_100000106457_100000743005 [0,2,0,0,0,0|2,0,0]=4 4376 B18R1.177105 CC(=CC(=O)NCC[N+](C)(C)C)c1ccccc1 240690a_100000106457_100000743005 [0,2,0,0,0,0|2,0,0]=4 4377 B18R1.177105 CC(=CC(=O)NCC[N+](C)(C)C)c1ccccc1 527a_100000106457_100000743005 [0,2,0,0,0,0|2,0,0]=4 4378 B18R1.219 CC(C)CCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100011214892 [0,2,0,0,0,0|1,0,0]=3 4379 B18R1.219 CC(C)CCNC(=O)C=Cc1ccc(cc1)C#N 11a_100000210545_100000185084 [0,2,0,0,0,0|1,0,0]=3 4380 B18R1.219 CC(C)CCNC(=O)C=Cc1ccc(cc1)C#N 1626a_100000210545_100000185084 [0,2,0,0,0,0|1,0,0]=3 4381 B18R1.219 CC(C)CCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100000210545_100000185084 [0,2,0,0,0,0|1,0,0]=3 4382 B18R1.219 CC(C)CNNC(=O)C=Cc1ccc(cc1)C#N 22a_100000696102_100000185084 [0,2,0,0,0,0|2,0,0]=4 4383 B18R1.219 CC(C)OCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000211751 [0,2,0,0,0,0|2,0,0]=4 4384 B18R1.219 CC(C)SCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000730970 [0,2,0,0,0,0|2,0,0]=4 4385 B18R1.219 CC(O)CCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200000718107 [0,2,0,0,0,0|2,0,0]=4 4386 B18R1.219 CC(O)CCNC(=O)C=Cc1ccc(cc1)C#N 240690a_200000755665_100000185084 [0,2,0,0,0,0|2,0,0]=4 4387 B18R1.219 CCc1ccc(cc1)C=CC(=O)CCCC(C)C 1458a_100000187855_100011214892 [0,2,0,0,0,0|1,0,0]=3 4388 B18R1.219 CCc1ccc(cc1)C=CC(=O)CCCC(C)O 1458a_100000187855_200000718107 [0,2,0,0,0,0|2,0,0]=4 4389 B18R1.219 CCc1ccc(cc1)C=CC(=O)CCCN(C)C 1458a_100000187855_100000695564 [0,2,0,0,0,0|2,0,0]=4 4390 B18R1.219 CCc1ccc(cc1)C=CC(=O)CCOC(C)C 1458a_100000187855_100000211751 [0,2,0,0,0,0|2,0,0]=4 4391 B18R1.219 CCc1ccc(cc1)C=CC(=O)CCSC(C)C 1458a_100000187855_100000730970 [0,2,0,0,0,0|2,0,0]=4 4392 B18R1.219 CCc1ccc(cc1)C=CC(=O)NCCC(C)C 11a_100000210545_100000187855 [0,2,0,0,0,0|1,0,0]=3 4393 B18R1.219 CCc1ccc(cc1)C=CC(=O)NCCC(C)C 1626a_100000210545_100000187855 [0,2,0,0,0,0|1,0,0]=3 4394 B18R1.219 CCc1ccc(cc1)C=CC(=O)NCCC(C)C 240690a_100000210545_100000187855 [0,2,0,0,0,0|1,0,0]=3 4395 B18R1.219 CCc1ccc(cc1)C=CC(=O)NCCC(C)O 240690a_200000755665_100000187855 [0,2,0,0,0,0|2,0,0]=4 4396 B18R1.219 CCc1ccc(cc1)C=CC(=O)NCCN(C)C 240690a_100000210585_100000187855 [0,2,0,0,0,0|2,0,0]=4 4397 B18R1.219 CCc1ccc(cc1)C=CC(=O)NNCC(C)C 22a_100000696102_100000187855 [0,2,0,0,0,0|2,0,0]=4 4398 B18R1.219 CN(C)CCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000695564 [0,2,0,0,0,0|2,0,0]=4 4399 B18R1.219 CN(C)CCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100000210585_100000185084 [0,2,0,0,0,0|2,0,0]=4 4400 B18R1.219 COc1ccc(cc1)C=CC(=O)CCCC(C)C 1458a_100000184205_100011214892 [0,2,0,0,0,0|1,0,0]=3 4401 B18R1.219 COc1ccc(cc1)C=CC(=O)CCCC(C)O 1458a_100000184205_200000718107 [0,2,0,0,0,0|2,0,0]=4 4402 B18R1.219 COc1ccc(cc1)C=CC(=O)CCCN(C)C 1458a_100000184205_100000695564 [0,2,0,0,0,0|2,0,0]=4 4403 B18R1.219 COc1ccc(cc1)C=CC(=O)CCOC(C)C 1458a_100000184205_100000211751 [0,2,0,0,0,0|2,0,0]=4 4404 B18R1.219 COc1ccc(cc1)C=CC(=O)CCSC(C)C 1458a_100000184205_100000730970 [0,2,0,0,0,0|2,0,0]=4 4405 B18R1.219 COc1ccc(cc1)C=CC(=O)NCCC(C)C 11a_100000210545_100000184205 [0,2,0,0,0,0|1,0,0]=3 4406 B18R1.219 COc1ccc(cc1)C=CC(=O)NCCC(C)C 1626a_100000210545_100000184205 [0,2,0,0,0,0|1,0,0]=3 4407 B18R1.219 COc1ccc(cc1)C=CC(=O)NCCC(C)C 527a_100000210545_100000184205 [0,2,0,0,0,0|1,0,0]=3 4408 B18R1.219 COc1ccc(cc1)C=CC(=O)NCCC(C)O 527a_200000755665_100000184205 [0,2,0,0,0,0|2,0,0]=4 4409 B18R1.219 COc1ccc(cc1)C=CC(=O)NCCN(C)C 527a_100000210585_100000184205 [0,2,0,0,0,0|2,0,0]=4 4410 B18R1.219 COc1ccc(cc1)C=CC(=O)NNCC(C)C 22a_100000696102_100000184205 [0,2,0,0,0,0|2,0,0]=4 4411 B18R1.219 CSc1ccc(cc1)C=CC(=O)CCCC(C)C 1458a_100102526083_100011214892 [0,2,0,0,0,0|1,0,0]=3 4412 B18R1.219 CSc1ccc(cc1)C=CC(=O)CCCC(C)O 1458a_100102526083_200000718107 [0,2,0,0,0,0|2,0,0]=4 4413 B18R1.219 CSc1ccc(cc1)C=CC(=O)CCCN(C)C 1458a_100102526083_100000695564 [0,2,0,0,0,0|2,0,0]=4 4414 B18R1.219 CSc1ccc(cc1)C=CC(=O)CCOC(C)C 1458a_100102526083_100000211751 [0,2,0,0,0,0|2,0,0]=4 4415 B18R1.219 CSc1ccc(cc1)C=CC(=O)CCSC(C)C 1458a_100102526083_100000730970 [0,2,0,0,0,0|2,0,0]=4 4416 B18R1.219 CSc1ccc(cc1)C=CC(=O)NCCC(C)C 11a_100000210545_100102526083 [0,2,0,0,0,0|1,0,0]=3 4417 B18R1.219 CSc1ccc(cc1)C=CC(=O)NCCC(C)C 1626a_100000210545_100102526083 [0,2,0,0,0,0|1,0,0]=3 4418 B18R1.219 CSc1ccc(cc1)C=CC(=O)NCCC(C)C 240690a_100000210545_100102526083 [0,2,0,0,0,0|1,0,0]=3 4419 B18R1.219 CSc1ccc(cc1)C=CC(=O)NCCC(C)O 240690a_200000755665_100102526083 [0,2,0,0,0,0|2,0,0]=4 4420 B18R1.219 CSc1ccc(cc1)C=CC(=O)NCCN(C)C 240690a_100000210585_100102526083 [0,2,0,0,0,0|2,0,0]=4 4421 B18R1.219 CSc1ccc(cc1)C=CC(=O)NNCC(C)C 22a_100000696102_100102526083 [0,2,0,0,0,0|2,0,0]=4 4422 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)Br 11a_100000738805_100016267368 [0,2,0,0,0,0|1,0,0]=3 4423 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000738805_100016267368 [0,2,0,0,0,0|1,0,0]=3 4424 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000738805_100000184863 [0,2,0,0,0,0|1,0,0]=3 4425 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000738805_100000184863 [0,2,0,0,0,0|1,0,0]=3 4426 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000738805_100000184863 [0,2,0,0,0,0|1,0,0]=3 4427 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)F 11a_100000738805_100000182136 [0,2,0,0,0,0|1,0,0]=3 4428 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000738805_100000182136 [0,2,0,0,0,0|1,0,0]=3 4429 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000738805_100000182136 [0,2,0,0,0,0|1,0,0]=3 4430 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)I 11a_100000738805_100102526154 [0,2,0,0,0,0|1,0,0]=3 4431 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000738805_100102526154 [0,2,0,0,0,0|1,0,0]=3 4432 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000738805_100102526154 [0,2,0,0,0,0|1,0,0]=3 4433 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000738805_100016269017 [0,2,0,0,0,0|1,0,0]=3 4434 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cn1)F 11a_100000738805_100020630499 [0,2,0,0,0,0|2,0,0]=4 4435 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cn1)F 1626a_100000738805_100020630499 [0,2,0,0,0,0|2,0,0]=4 4436 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(cn1)F 240690a_100000738805_100020630499 [0,2,0,0,0,0|2,0,0]=4 4437 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(nc1)Br 11a_100000738805_100020588214 [0,2,0,0,0,0|2,0,0]=4 4438 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000738805_100020588214 [0,2,0,0,0,0|2,0,0]=4 4439 B18R1.978 CC(C)(C)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000738805_100020588214 [0,2,0,0,0,0|2,0,0]=4 4440 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)Br 11a_100016253952_100016267368 [0,2,0,0,0,0|1,0,0]=3 4441 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100016253952_100016267368 [0,2,0,0,0,0|1,0,0]=3 4442 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100016253952_100000184863 [0,2,0,0,0,0|1,0,0]=3 4443 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100016253952_100000184863 [0,2,0,0,0,0|1,0,0]=3 4444 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100016253952_100000184863 [0,2,0,0,0,0|1,0,0]=3 4445 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)F 11a_100016253952_100000182136 [0,2,0,0,0,0|1,0,0]=3 4446 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)F 1626a_100016253952_100000182136 [0,2,0,0,0,0|1,0,0]=3 4447 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100016253952_100000182136 [0,2,0,0,0,0|1,0,0]=3 4448 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)I 11a_100016253952_100102526154 [0,2,0,0,0,0|1,0,0]=3 4449 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)I 1626a_100016253952_100102526154 [0,2,0,0,0,0|1,0,0]=3 4450 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100016253952_100102526154 [0,2,0,0,0,0|1,0,0]=3 4451 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100016253952_100016269017 [0,2,0,0,0,0|1,0,0]=3 4452 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cn1)F 11a_100016253952_100020630499 [0,2,0,0,0,0|2,0,0]=4 4453 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cn1)F 1626a_100016253952_100020630499 [0,2,0,0,0,0|2,0,0]=4 4454 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(cn1)F 240690a_100016253952_100020630499 [0,2,0,0,0,0|2,0,0]=4 4455 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(nc1)Br 11a_100016253952_100020588214 [0,2,0,0,0,0|2,0,0]=4 4456 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100016253952_100020588214 [0,2,0,0,0,0|2,0,0]=4 4457 B18R1.978 CC(C)(F)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100016253952_100020588214 [0,2,0,0,0,0|2,0,0]=4 4458 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000707701_100016267368 [0,2,0,0,0,0|1,0,0]=3 4459 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000707701_100000184863 [0,2,0,0,0,0|1,0,0]=3 4460 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000707701_100000182136 [0,2,0,0,0,0|1,0,0]=3 4461 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000707701_100102526154 [0,2,0,0,0,0|1,0,0]=3 4462 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(cn1)F 1626a_100000707701_100020630499 [0,2,0,0,0,0|2,0,0]=4 4463 B18R1.978 CC(C)(O)CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000707701_100020588214 [0,2,0,0,0,0|2,0,0]=4 4464 B18R1.978 C[N+](C)(C)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100016990835 [0,2,0,0,0,0|2,0,0]=4 4465 B18R1.978 C[N+](C)(C)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100016990835 [0,2,0,0,0,0|2,0,0]=4 4466 B18R1.978 C[N+](C)(C)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100016990835 [0,2,0,0,0,0|2,0,0]=4 4467 B18R1.978 C[N+](C)(C)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100016990835 [0,2,0,0,0,0|2,0,0]=4 4468 B18R1.978 C[N+](C)(C)CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000106457_100016267368 [0,2,0,0,0,0|2,0,0]=4 4469 B18R1.978 C[N+](C)(C)CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000106457_100000184863 [0,2,0,0,0,0|2,0,0]=4 4470 B18R1.978 C[N+](C)(C)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000106457_100000184863 [0,2,0,0,0,0|2,0,0]=4 4471 B18R1.978 C[N+](C)(C)CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000106457_100000182136 [0,2,0,0,0,0|2,0,0]=4 4472 B18R1.978 C[N+](C)(C)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000106457_100000182136 [0,2,0,0,0,0|2,0,0]=4 4473 B18R1.978 C[N+](C)(C)CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000106457_100102526154 [0,2,0,0,0,0|2,0,0]=4 4474 B18R1.978 C[N+](C)(C)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000106457_100102526154 [0,2,0,0,0,0|2,0,0]=4 4475 B18R1.978 C[N+](C)(C)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000106457_100016269017 [0,2,0,0,0,0|2,0,0]=4 4476 B18R1.978 C[Si](C)(C)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011219597 [0,2,0,0,0,0|1,1,0]=4 4477 B18R1.978 C[Si](C)(C)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011219597 [0,2,0,0,0,0|1,1,0]=4 4478 B18R1.978 C[Si](C)(C)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011219597 [0,2,0,0,0,0|1,1,0]=4 4479 B18R1.978 C[Si](C)(C)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011219597 [0,2,0,0,0,0|1,1,0]=4 4480 B18R1.978 Cc1ccc(cc1)C=CC(=O)CCC[N+](C)(C)C 1458a_100000716854_100016990835 [0,2,0,0,0,0|2,0,0]=4 4481 B18R1.978 Cc1ccc(cc1)C=CC(=O)CCC[Si](C)(C)C 1458a_100000716854_100011219597 [0,2,0,0,0,0|1,1,0]=4 4482 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCCC(C)(C)C 11a_100000738805_100000716854 [0,2,0,0,0,0|1,0,0]=3 4483 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000716854 [0,2,0,0,0,0|1,0,0]=3 4484 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCCC(C)(C)C 240690a_100000738805_100000716854 [0,2,0,0,0,0|1,0,0]=3 4485 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCCC(C)(C)F 11a_100016253952_100000716854 [0,2,0,0,0,0|1,0,0]=3 4486 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000716854 [0,2,0,0,0,0|1,0,0]=3 4487 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCCC(C)(C)F 240690a_100016253952_100000716854 [0,2,0,0,0,0|1,0,0]=3 4488 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000716854 [0,2,0,0,0,0|1,0,0]=3 4489 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000716854 [0,2,0,0,0,0|2,0,0]=4 4490 B18R1.978 Cc1ccc(cc1)C=CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000716854 [0,2,0,0,0,0|2,0,0]=4 4491 B18R1.980 CC(C)CCC(C)C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011261404 [0,2,0,0,0,0|1,0,0]=3 4492 B18R1.980 CC(C)CCC(C)C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011261404 [0,2,0,0,0,0|1,0,0]=3 4493 B18R1.980 CC(C)CCC(C)C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011261404 [0,2,0,0,0,0|1,0,0]=3 4494 B18R1.980 CC(C)CCC(C)C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011261404 [0,2,0,0,0,0|1,0,0]=3 4495 B18R1.980 CC(C)CCC(C)C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011261404 [0,2,0,0,0,0|2,0,0]=4 4496 B18R1.980 CC(C)CCC(C)C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011261404 [0,2,0,0,0,0|2,0,0]=4 4497 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000742789_100016267368 [0,2,0,0,0,0|1,0,0]=3 4498 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000742789_100016267368 [0,2,0,0,0,0|1,0,0]=3 4499 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000742789_100000184863 [0,2,0,0,0,0|1,0,0]=3 4500 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000742789_100000184863 [0,2,0,0,0,0|1,0,0]=3 4501 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000742789_100000184863 [0,2,0,0,0,0|1,0,0]=3 4502 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000742789_100000182136 [0,2,0,0,0,0|1,0,0]=3 4503 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000742789_100000182136 [0,2,0,0,0,0|1,0,0]=3 4504 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000742789_100000182136 [0,2,0,0,0,0|1,0,0]=3 4505 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000742789_100102526154 [0,2,0,0,0,0|1,0,0]=3 4506 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000742789_100102526154 [0,2,0,0,0,0|1,0,0]=3 4507 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000742789_100102526154 [0,2,0,0,0,0|1,0,0]=3 4508 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000742789_100016269017 [0,2,0,0,0,0|1,0,0]=3 4509 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cn1)F 11a_100000742789_100020630499 [0,2,0,0,0,0|2,0,0]=4 4510 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cn1)F 1626a_100000742789_100020630499 [0,2,0,0,0,0|2,0,0]=4 4511 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(cn1)F 240690a_100000742789_100020630499 [0,2,0,0,0,0|2,0,0]=4 4512 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(nc1)Br 11a_100000742789_100020588214 [0,2,0,0,0,0|2,0,0]=4 4513 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(nc1)Br 1626a_100000742789_100020588214 [0,2,0,0,0,0|2,0,0]=4 4514 B18R1.980 CC(C)CCN(C)C(=O)C=Cc1ccc(nc1)Br 240690a_100000742789_100020588214 [0,2,0,0,0,0|2,0,0]=4 4515 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000225618_100000184863 [0,2,0,0,0,0|2,0,0]=4 4516 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000225618_100000182136 [0,2,0,0,0,0|2,0,0]=4 4517 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000225618_100102526154 [0,2,0,0,0,0|2,0,0]=4 4518 B18R1.980 CN(C)CCN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000225618_100016269017 [0,2,0,0,0,0|2,0,0]=4 4519 B18R1.980 Cc1ccc(cc1)C=CC(=O)C(C)CCC(C)C 1458a_100000716854_100011261404 [0,2,0,0,0,0|1,0,0]=3 4520 B18R1.980 Cc1ccc(cc1)C=CC(=O)N(C)CCC(C)C 11a_100000742789_100000716854 [0,2,0,0,0,0|1,0,0]=3 4521 B18R1.980 Cc1ccc(cc1)C=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000716854 [0,2,0,0,0,0|1,0,0]=3 4522 B18R1.980 Cc1ccc(cc1)C=CC(=O)N(C)CCC(C)C 240690a_100000742789_100000716854 [0,2,0,0,0,0|1,0,0]=3 4523 B18R1.980 Cc1ccc(cc1)C=CC(=O)N(C)CCN(C)C 240690a_100000225618_100000716854 [0,2,0,0,0,0|2,0,0]=4 4524 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_106354213184_100000184863 [0,2,0,0,0,0|1,0,0]=3 4525 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)F 240690a_106354213184_100000182136 [0,2,0,0,0,0|1,0,0]=3 4526 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)I 240690a_106354213184_100102526154 [0,2,0,0,0,0|1,0,0]=3 4527 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cc1)O 240690a_106354213184_100016269017 [0,2,0,0,0,0|1,0,0]=3 4528 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(cn1)F 240690a_106354213184_100020630499 [0,2,0,0,0,0|2,0,0]=4 4529 B18R1.1082 CC(CO)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_106354213184_100020588214 [0,2,0,0,0,0|2,0,0]=4 4530 B18R1.1082 CC=C(C)CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000073480 [0,2,0,0,0,0|1,0,1]=4 4531 B18R1.1082 CC=C(C)CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000073480 [0,2,0,0,0,0|1,0,1]=4 4532 B18R1.1082 CC=C(C)CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000073480 [0,2,0,0,0,0|1,0,1]=4 4533 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)Br 11a_100020591266_100016267368 [0,2,0,0,0,0|1,0,0]=3 4534 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020591266_100016267368 [0,2,0,0,0,0|1,0,0]=3 4535 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)C 11a_100020591266_100000716854 [0,2,0,0,0,0|1,0,0]=3 4536 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)C 1626a_100020591266_100000716854 [0,2,0,0,0,0|1,0,0]=3 4537 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)C 240690a_100020591266_100000716854 [0,2,0,0,0,0|1,0,0]=3 4538 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100020591266_100000184863 [0,2,0,0,0,0|1,0,0]=3 4539 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020591266_100000184863 [0,2,0,0,0,0|1,0,0]=3 4540 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020591266_100000184863 [0,2,0,0,0,0|1,0,0]=3 4541 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)F 11a_100020591266_100000182136 [0,2,0,0,0,0|1,0,0]=3 4542 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)F 1626a_100020591266_100000182136 [0,2,0,0,0,0|1,0,0]=3 4543 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100020591266_100000182136 [0,2,0,0,0,0|1,0,0]=3 4544 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)I 11a_100020591266_100102526154 [0,2,0,0,0,0|1,0,0]=3 4545 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)I 1626a_100020591266_100102526154 [0,2,0,0,0,0|1,0,0]=3 4546 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100020591266_100102526154 [0,2,0,0,0,0|1,0,0]=3 4547 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100020591266_100016269017 [0,2,0,0,0,0|1,0,0]=3 4548 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cn1)F 11a_100020591266_100020630499 [0,2,0,0,0,0|2,0,0]=4 4549 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cn1)F 1626a_100020591266_100020630499 [0,2,0,0,0,0|2,0,0]=4 4550 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(cn1)F 240690a_100020591266_100020630499 [0,2,0,0,0,0|2,0,0]=4 4551 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(nc1)Br 11a_100020591266_100020588214 [0,2,0,0,0,0|2,0,0]=4 4552 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100020591266_100020588214 [0,2,0,0,0,0|2,0,0]=4 4553 B18R1.1082 CCC(C)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100020591266_100020588214 [0,2,0,0,0,0|2,0,0]=4 4554 B18R1.1082 CCN(C)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100015186262 [0,2,0,0,0,0|2,0,0]=4 4555 B18R1.1082 CCN(C)CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000739861 [0,2,0,0,0,0|2,0,0]=4 4556 B18R1.1082 CCN(C)CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100015186262 [0,2,0,0,0,0|2,0,0]=4 4557 B18R1.1082 CCN(C)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100015186262 [0,2,0,0,0,0|2,0,0]=4 4558 B18R1.1082 CCN(C)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100015186262 [0,2,0,0,0,0|2,0,0]=4 4559 B18R1.1082 CCN(C)CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000739861 [0,2,0,0,0,0|2,0,0]=4 4560 B18R1.1082 CCN(C)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100015186262 [0,2,0,0,0,0|2,0,0]=4 4561 B18R1.1082 CCN(C)CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000739861 [0,2,0,0,0,0|2,0,0]=4 4562 B18R1.1082 Cc1ccc(cc1)C=CC(=O)NCCC(C)CO 240690a_106354213184_100000716854 [0,2,0,0,0,0|1,0,0]=3 4563 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)CCCC(C)C 1458a_100053117043_100011214892 [0,2,0,0,0,0|1,0,0]=3 4564 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)CCCC(C)O 1458a_100053117043_200000718107 [0,2,0,0,0,0|2,0,0]=4 4565 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)CCCN(C)C 1458a_100053117043_100000695564 [0,2,0,0,0,0|2,0,0]=4 4566 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)CCOC(C)C 1458a_100053117043_100000211751 [0,2,0,0,0,0|2,0,0]=4 4567 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)CCSC(C)C 1458a_100053117043_100000730970 [0,2,0,0,0,0|2,0,0]=4 4568 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)NCCC(C)C 11a_100000210545_100053117043 [0,2,0,0,0,0|1,0,0]=3 4569 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)NCCC(C)C 1626a_100000210545_100053117043 [0,2,0,0,0,0|1,0,0]=3 4570 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)NCCC(C)C 240690a_100000210545_100053117043 [0,2,0,0,0,0|1,0,0]=3 4571 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)NCCC(C)C 527a_100000210545_100053117043 [0,2,0,0,0,0|1,0,0]=3 4572 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)NCCC(C)O 240690a_200000755665_100053117043 [0,2,0,0,0,0|2,0,0]=4 4573 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)NCCC(C)O 527a_200000755665_100053117043 [0,2,0,0,0,0|2,0,0]=4 4574 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)NCCN(C)C 240690a_100000210585_100053117043 [0,2,0,0,0,0|2,0,0]=4 4575 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)NCCN(C)C 527a_100000210585_100053117043 [0,2,0,0,0,0|2,0,0]=4 4576 B18R1.9307 C/C(=C\c1ccc(cc1)F)/C(=O)NNCC(C)C 22a_100000696102_100053117043 [0,2,0,0,0,0|2,0,0]=4 4577 B18R1.9307 CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210545_100000199041 [0,2,0,0,0,0|2,0,0]=4 4578 B18R1.9307 CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)Cl 240690a_100000210545_100000199041 [0,2,0,0,0,0|2,0,0]=4 4579 B18R1.9307 CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000210545_100011297306 [0,2,0,0,0,0|2,0,0]=4 4580 B18R1.9307 CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)F 240690a_100000210545_100011297306 [0,2,0,0,0,0|2,0,0]=4 4581 B18R1.9307 Cc1ccc(cc1)NC(=O)C(=O)CCCC(C)C 1458a_100000189662_100011214892 [0,2,0,0,0,0|2,0,0]=4 4582 B18R1.9307 Cc1ccc(cc1)NC(=O)C(=O)NCCC(C)C 1626a_100000210545_100000189662 [0,2,0,0,0,0|2,0,0]=4 4583 B18R1.9307 Cc1ccc(cc1)NC(=O)C(=O)NCCC(C)C 240690a_100000210545_100000189662 [0,2,0,0,0,0|2,0,0]=4 4584 B18R1.9307 Cc1ccc(cc1)SC(=O)C(=O)NCCC(C)C 11a_100000210545_100009913200 [0,2,0,0,0,0|2,0,0]=4 4585 B18R1.9307 Cc1ccc(cc1)SC(=O)C(=O)NCCC(C)C 1626a_100000210545_100009913200 [0,2,0,0,0,0|2,0,0]=4 4586 B18R1.9307 Cc1ccc(cc1)SC(=O)C(=O)NCCC(C)C 240690a_100000210545_100009913200 [0,2,0,0,0,0|2,0,0]=4 4587 B18R1.9307 Cc1ccc(cc1)SC(=O)C(=O)NCCC(C)C 527a_100000210545_100009913200 [0,2,0,0,0,0|2,0,0]=4 4588 B18R1.9308 CC(C)CC(C)CC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000698951 [0,2,0,0,0,0|1,0,0]=3 4589 B18R1.9308 CC(C)CC(C)CC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000698951 [0,2,0,0,0,0|1,0,0]=3 4590 B18R1.9308 CC(C)CC(C)CC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000698951 [0,2,0,0,0,0|1,0,0]=3 4591 B18R1.9308 CC(C)CC(C)CC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000698951 [0,2,0,0,0,0|2,0,0]=4 4592 B18R1.9308 CC(C)CC(C)CC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000698951 [0,2,0,0,0,0|2,0,0]=4 4593 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)Br 11a_100000692259_100016267368 [0,2,0,0,0,0|1,0,0]=3 4594 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)Br 1626a_100000692259_100016267368 [0,2,0,0,0,0|1,0,0]=3 4595 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)Cl 11a_100000692259_100000184863 [0,2,0,0,0,0|1,0,0]=3 4596 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100000692259_100000184863 [0,2,0,0,0,0|1,0,0]=3 4597 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100000692259_100000184863 [0,2,0,0,0,0|1,0,0]=3 4598 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)F 11a_100000692259_100000182136 [0,2,0,0,0,0|1,0,0]=3 4599 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)F 1626a_100000692259_100000182136 [0,2,0,0,0,0|1,0,0]=3 4600 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)F 240690a_100000692259_100000182136 [0,2,0,0,0,0|1,0,0]=3 4601 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)I 11a_100000692259_100102526154 [0,2,0,0,0,0|1,0,0]=3 4602 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)I 1626a_100000692259_100102526154 [0,2,0,0,0,0|1,0,0]=3 4603 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)I 240690a_100000692259_100102526154 [0,2,0,0,0,0|1,0,0]=3 4604 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cc1)O 240690a_100000692259_100016269017 [0,2,0,0,0,0|1,0,0]=3 4605 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cn1)F 11a_100000692259_100020630499 [0,2,0,0,0,0|2,0,0]=4 4606 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cn1)F 1626a_100000692259_100020630499 [0,2,0,0,0,0|2,0,0]=4 4607 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(cn1)F 240690a_100000692259_100020630499 [0,2,0,0,0,0|2,0,0]=4 4608 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(nc1)Br 11a_100000692259_100020588214 [0,2,0,0,0,0|2,0,0]=4 4609 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(nc1)Br 1626a_100000692259_100020588214 [0,2,0,0,0,0|2,0,0]=4 4610 B18R1.9308 CC(C)CC(C)NC(=O)C=Cc1ccc(nc1)Br 240690a_100000692259_100020588214 [0,2,0,0,0,0|2,0,0]=4 4611 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)Br 11a_100016992788_100016267368 [0,2,0,0,0,0|2,0,0]=4 4612 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)Cl 11a_100016992788_100000184863 [0,2,0,0,0,0|2,0,0]=4 4613 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100016992788_100000184863 [0,2,0,0,0,0|2,0,0]=4 4614 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)F 11a_100016992788_100000182136 [0,2,0,0,0,0|2,0,0]=4 4615 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)F 240690a_100016992788_100000182136 [0,2,0,0,0,0|2,0,0]=4 4616 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)I 11a_100016992788_100102526154 [0,2,0,0,0,0|2,0,0]=4 4617 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)I 240690a_100016992788_100102526154 [0,2,0,0,0,0|2,0,0]=4 4618 B18R1.9308 CC(CN(C)C)NC(=O)C=Cc1ccc(cc1)O 240690a_100016992788_100016269017 [0,2,0,0,0,0|2,0,0]=4 4619 B18R1.9308 Cc1ccc(cc1)C=CC(=O)NC(C)CC(C)C 11a_100000692259_100000716854 [0,2,0,0,0,0|1,0,0]=3 4620 B18R1.9308 Cc1ccc(cc1)C=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000716854 [0,2,0,0,0,0|1,0,0]=3 4621 B18R1.9308 Cc1ccc(cc1)C=CC(=O)NC(C)CC(C)C 240690a_100000692259_100000716854 [0,2,0,0,0,0|1,0,0]=3 4622 B18R1.9308 Cc1ccc(cc1)C=CC(=O)NC(C)CN(C)C 11a_100016992788_100000716854 [0,2,0,0,0,0|2,0,0]=4 4623 B18R1.9308 Cc1ccc(cc1)C=CC(=O)NC(C)CN(C)C 240690a_100016992788_100000716854 [0,2,0,0,0,0|2,0,0]=4 4624 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000759067_100016267368 [0,2,0,0,0,0|1,0,0]=3 4625 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000759067_100000184863 [0,2,0,0,0,0|1,0,0]=3 4626 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000759067_100000184863 [0,2,0,0,0,0|1,0,0]=3 4627 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cc1)F 11a_100000759067_100000182136 [0,2,0,0,0,0|1,0,0]=3 4628 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000759067_100000182136 [0,2,0,0,0,0|1,0,0]=3 4629 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cc1)I 11a_100000759067_100102526154 [0,2,0,0,0,0|1,0,0]=3 4630 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000759067_100102526154 [0,2,0,0,0,0|1,0,0]=3 4631 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000759067_100016269017 [0,2,0,0,0,0|1,0,0]=3 4632 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cn1)F 11a_100000759067_100020630499 [0,2,0,0,0,0|2,0,0]=4 4633 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000759067_100020630499 [0,2,0,0,0,0|2,0,0]=4 4634 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(nc1)Br 11a_100000759067_100020588214 [0,2,0,0,0,0|2,0,0]=4 4635 B18R1.9309 CC(C)C(O)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000759067_100020588214 [0,2,0,0,0,0|2,0,0]=4 4636 B18R1.9309 Cc1ccc(cc1)C=CC(=O)NCC(O)C(C)C 11a_100000759067_100000716854 [0,2,0,0,0,0|1,0,0]=3 4637 B18R1.9309 Cc1ccc(cc1)C=CC(=O)NCC(O)C(C)C 240690a_100000759067_100000716854 [0,2,0,0,0,0|1,0,0]=3 4638 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100011214892 [0,2,0,0,0,0|1,0,0]=3 4639 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000753411 [0,2,0,0,0,0|1,0,0]=3 4640 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100011214892 [0,2,0,0,0,0|1,0,0]=3 4641 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100011214892 [0,2,0,0,0,0|1,0,0]=3 4642 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100011214892 [0,2,0,0,0,0|1,0,0]=3 4643 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000753411 [0,2,0,0,0,0|1,0,0]=3 4644 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100011214892 [0,2,0,0,0,0|1,0,0]=3 4645 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000753411 [0,2,0,0,0,0|1,0,0]=3 4646 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100011214892 [0,2,0,0,0,0|1,0,0]=3 4647 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100011214892 [0,2,0,0,0,0|1,0,0]=3 4648 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000753411 [0,2,0,0,0,0|1,0,0]=3 4649 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000753411 [0,2,0,0,0,0|1,0,0]=3 4650 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000753411 [0,2,0,0,0,0|1,0,0]=3 4651 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000753411 [0,2,0,0,0,0|1,0,0]=3 4652 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000753411 [0,2,0,0,0,0|1,0,0]=3 4653 B18R1.10321 CC(C)CCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000753411 [0,2,0,0,0,0|1,0,0]=3 4654 B18R1.10321 CC(C)CCCC(=O)C=Cc1ncc(cc1Br)Br 6a_100000688198_100000753411 [0,2,0,0,0,0|2,0,0]=4 4655 B18R1.10321 CC(C)CCCC(=O)C=Cc1ncc(cc1Br)Cl 6a_100010064872_100000753411 [0,2,0,0,0,0|2,0,0]=4 4656 B18R1.10321 CC(C)CCCC(=O)C=Cc1ncc(cc1Cl)Br 6a_100009814801_100000753411 [0,2,0,0,0,0|2,0,0]=4 4657 B18R1.10321 CC(C)CCCC(=O)C=Cc1ncc(cc1Cl)Cl 6a_100011361609_100000753411 [0,2,0,0,0,0|2,0,0]=4 4658 B18R1.10321 CC(C)CCCC(=O)C=Cc1ncc(cc1F)Br 6a_100010180630_100000753411 [0,2,0,0,0,0|2,0,0]=4 4659 B18R1.10321 CC(C)CCCC(=O)C=Cc1ncc(cc1F)Cl 6a_100009858488_100000753411 [0,2,0,0,0,0|2,0,0]=4 4660 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Br)F 11a_100000210545_200102591336 [0,2,0,0,0,0|1,0,0]=3 4661 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Br)F 1626a_100000210545_200102591336 [0,2,0,0,0,0|1,0,0]=3 4662 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100000210545_200102591336 [0,2,0,0,0,0|1,0,0]=3 4663 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)Br 11a_100000210545_100102525105 [0,2,0,0,0,0|1,0,0]=3 4664 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100000210545_100102525105 [0,2,0,0,0,0|1,0,0]=3 4665 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100000210545_100102525105 [0,2,0,0,0,0|1,0,0]=3 4666 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_100000210545_100016270030 [0,2,0,0,0,0|1,0,0]=3 4667 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100000210545_100016270030 [0,2,0,0,0,0|1,0,0]=3 4668 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100000210545_100016270030 [0,2,0,0,0,0|1,0,0]=3 4669 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)F 11a_100000210545_200102525072 [0,2,0,0,0,0|1,0,0]=3 4670 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100000210545_200102525072 [0,2,0,0,0,0|1,0,0]=3 4671 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100000210545_200102525072 [0,2,0,0,0,0|1,0,0]=3 4672 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)Br 11a_100000210545_100011214948 [0,2,0,0,0,0|1,0,0]=3 4673 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)Br 1626a_100000210545_100011214948 [0,2,0,0,0,0|1,0,0]=3 4674 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100000210545_100011214948 [0,2,0,0,0,0|1,0,0]=3 4675 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)Cl 11a_100000210545_100102561868 [0,2,0,0,0,0|1,0,0]=3 4676 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100000210545_100102561868 [0,2,0,0,0,0|1,0,0]=3 4677 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100000210545_100102561868 [0,2,0,0,0,0|1,0,0]=3 4678 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)F 11a_100000210545_100011195072 [0,2,0,0,0,0|1,0,0]=3 4679 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)F 1626a_100000210545_100011195072 [0,2,0,0,0,0|1,0,0]=3 4680 B18R1.10321 CC(C)CCNC(=O)C=Cc1ccc(cc1F)F 240690a_100000210545_100011195072 [0,2,0,0,0,0|1,0,0]=3 4681 B18R1.10321 CC(C)CNNC(=O)C=Cc1ccc(cc1Br)F 22a_100000696102_200102591336 [0,2,0,0,0,0|2,0,0]=4 4682 B18R1.10321 CC(C)CNNC(=O)C=Cc1ccc(cc1Cl)Br 22a_100000696102_100102525105 [0,2,0,0,0,0|2,0,0]=4 4683 B18R1.10321 CC(C)CNNC(=O)C=Cc1ccc(cc1Cl)Cl 22a_100000696102_100016270030 [0,2,0,0,0,0|2,0,0]=4 4684 B18R1.10321 CC(C)CNNC(=O)C=Cc1ccc(cc1Cl)F 22a_100000696102_200102525072 [0,2,0,0,0,0|2,0,0]=4 4685 B18R1.10321 CC(C)CNNC(=O)C=Cc1ccc(cc1F)Br 22a_100000696102_100011214948 [0,2,0,0,0,0|2,0,0]=4 4686 B18R1.10321 CC(C)CNNC(=O)C=Cc1ccc(cc1F)Cl 22a_100000696102_100102561868 [0,2,0,0,0,0|2,0,0]=4 4687 B18R1.10321 CC(C)CNNC(=O)C=Cc1ccc(cc1F)F 22a_100000696102_100011195072 [0,2,0,0,0,0|2,0,0]=4 4688 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000211751 [0,2,0,0,0,0|2,0,0]=4 4689 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_200011219172 [0,2,0,0,0,0|2,0,0]=4 4690 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000211751 [0,2,0,0,0,0|2,0,0]=4 4691 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000211751 [0,2,0,0,0,0|2,0,0]=4 4692 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000211751 [0,2,0,0,0,0|2,0,0]=4 4693 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_200011219172 [0,2,0,0,0,0|2,0,0]=4 4694 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000211751 [0,2,0,0,0,0|2,0,0]=4 4695 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_200011219172 [0,2,0,0,0,0|2,0,0]=4 4696 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000211751 [0,2,0,0,0,0|2,0,0]=4 4697 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000211751 [0,2,0,0,0,0|2,0,0]=4 4698 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_200011219172 [0,2,0,0,0,0|2,0,0]=4 4699 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_200011219172 [0,2,0,0,0,0|2,0,0]=4 4700 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_200011219172 [0,2,0,0,0,0|2,0,0]=4 4701 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_200011219172 [0,2,0,0,0,0|2,0,0]=4 4702 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_200011219172 [0,2,0,0,0,0|2,0,0]=4 4703 B18R1.10321 CC(C)OCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_200011219172 [0,2,0,0,0,0|2,0,0]=4 4704 B18R1.10321 CC(C)SCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000730970 [0,2,0,0,0,0|2,0,0]=4 4705 B18R1.10321 CC(C)SCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000730970 [0,2,0,0,0,0|2,0,0]=4 4706 B18R1.10321 CC(C)SCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000730970 [0,2,0,0,0,0|2,0,0]=4 4707 B18R1.10321 CC(C)SCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000730970 [0,2,0,0,0,0|2,0,0]=4 4708 B18R1.10321 CC(C)SCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000730970 [0,2,0,0,0,0|2,0,0]=4 4709 B18R1.10321 CC(C)SCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000730970 [0,2,0,0,0,0|2,0,0]=4 4710 B18R1.10321 CC(C)SCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000730970 [0,2,0,0,0,0|2,0,0]=4 4711 B18R1.10321 CC(O)CCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200000718107 [0,2,0,0,0,0|2,0,0]=4 4712 B18R1.10321 CC(O)CCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200000718107 [0,2,0,0,0,0|2,0,0]=4 4713 B18R1.10321 CC(O)CCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200000718107 [0,2,0,0,0,0|2,0,0]=4 4714 B18R1.10321 CC(O)CCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200000718107 [0,2,0,0,0,0|2,0,0]=4 4715 B18R1.10321 CC(O)CCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200000718107 [0,2,0,0,0,0|2,0,0]=4 4716 B18R1.10321 CC(O)CCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200000718107 [0,2,0,0,0,0|2,0,0]=4 4717 B18R1.10321 CC(O)CCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200000718107 [0,2,0,0,0,0|2,0,0]=4 4718 B18R1.10321 CC(O)CCNC(=O)C=Cc1ccc(cc1Br)F 240690a_200000755665_200102591336 [0,2,0,0,0,0|2,0,0]=4 4719 B18R1.10321 CC(O)CCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_200000755665_100102525105 [0,2,0,0,0,0|2,0,0]=4 4720 B18R1.10321 CC(O)CCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_200000755665_100016270030 [0,2,0,0,0,0|2,0,0]=4 4721 B18R1.10321 CC(O)CCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_200000755665_200102525072 [0,2,0,0,0,0|2,0,0]=4 4722 B18R1.10321 CC(O)CCNC(=O)C=Cc1ccc(cc1F)Br 240690a_200000755665_100011214948 [0,2,0,0,0,0|2,0,0]=4 4723 B18R1.10321 CC(O)CCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_200000755665_100102561868 [0,2,0,0,0,0|2,0,0]=4 4724 B18R1.10321 CC(O)CCNC(=O)C=Cc1ccc(cc1F)F 240690a_200000755665_100011195072 [0,2,0,0,0,0|2,0,0]=4 4725 B18R1.10321 CN(C)CCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000695564 [0,2,0,0,0,0|2,0,0]=4 4726 B18R1.10321 CN(C)CCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000695564 [0,2,0,0,0,0|2,0,0]=4 4727 B18R1.10321 CN(C)CCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000695564 [0,2,0,0,0,0|2,0,0]=4 4728 B18R1.10321 CN(C)CCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000695564 [0,2,0,0,0,0|2,0,0]=4 4729 B18R1.10321 CN(C)CCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000695564 [0,2,0,0,0,0|2,0,0]=4 4730 B18R1.10321 CN(C)CCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000695564 [0,2,0,0,0,0|2,0,0]=4 4731 B18R1.10321 CN(C)CCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000695564 [0,2,0,0,0,0|2,0,0]=4 4732 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100000210585_200102591336 [0,2,0,0,0,0|2,0,0]=4 4733 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100000210585_100102525105 [0,2,0,0,0,0|2,0,0]=4 4734 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100000210585_100016270030 [0,2,0,0,0,0|2,0,0]=4 4735 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100000210585_200102525072 [0,2,0,0,0,0|2,0,0]=4 4736 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100000210585_100011214948 [0,2,0,0,0,0|2,0,0]=4 4737 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100000210585_100102561868 [0,2,0,0,0,0|2,0,0]=4 4738 B18R1.10321 CN(C)CCNC(=O)C=Cc1ccc(cc1F)F 240690a_100000210585_100011195072 [0,2,0,0,0,0|2,0,0]=4 4739 B18R1.10321 Cc1cc(ccc1C=CC(=O)NCCC(C)C)F 11a_100000210545_100016280397 [0,2,0,0,0,0|1,0,0]=3 4740 B18R1.10321 Cc1cc(ccc1C=CC(=O)NCCC(C)C)F 1626a_100000210545_100016280397 [0,2,0,0,0,0|1,0,0]=3 4741 B18R1.10321 Cc1cc(ccc1C=CC(=O)NNCC(C)C)F 22a_100000696102_100016280397 [0,2,0,0,0,0|2,0,0]=4 4742 B18R1.10321 Cc1cc(ccc1C=CC(=O)NNCC(C)C)O 22a_100000696102_200132309679 [0,2,0,0,0,0|2,0,0]=4 4743 B18R1.10321 Cc1cc(cnc1C=CC(=O)CCCC(C)C)Br 6a_100010185443_100000753411 [0,2,0,0,0,0|2,0,0]=4 4744 B18R1.10321 Cc1cc(cnc1C=CC(=O)CCCC(C)C)Cl 6a_200009887756_100000753411 [0,2,0,0,0,0|2,0,0]=4 4745 B18R1.10321 Cc1ccc(c(c1)C)C=CC(=O)NCCC(C)C 11a_100000210545_100000238256 [0,2,0,0,0,0|1,0,0]=3 4746 B18R1.10321 Cc1ccc(c(c1)C)C=CC(=O)NCCC(C)C 1626a_100000210545_100000238256 [0,2,0,0,0,0|1,0,0]=3 4747 B18R1.10321 Cc1ccc(c(c1)C)C=CC(=O)NNCC(C)C 22a_100000696102_100000238256 [0,2,0,0,0,0|2,0,0]=4 4748 B18R1.10321 Cc1ccc(c(c1)F)C=CC(=O)CCCC(C)C 6a_100011217368_100000753411 [0,2,0,0,0,0|1,0,0]=3 4749 B18R1.10321 Cc1ccc(c(c1)F)C=CC(=O)CCOC(C)C 6a_100011217368_200011219172 [0,2,0,0,0,0|2,0,0]=4 4750 B18R1.10321 Cc1ccc(c(c1)I)C=CC(=O)CCCC(C)C 6a_100010150104_100000753411 [0,2,0,0,0,0|1,0,0]=3 4751 B18R1.10321 Cc1ccc(c(c1)I)C=CC(=O)CCOC(C)C 6a_100010150104_200011219172 [0,2,0,0,0,0|2,0,0]=4 4752 B18R1.10321 Cc1cnc(c(c1)F)C=CC(=O)CCCC(C)C 6a_100009845184_100000753411 [0,2,0,0,0,0|2,0,0]=4 4753 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100011214892 [0,2,0,0,0,0|1,0,0]=3 4754 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100000753411 [0,2,0,0,0,0|1,0,0]=3 4755 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100011214892 [0,2,0,0,0,0|1,0,0]=3 4756 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100000753411 [0,2,0,0,0,0|1,0,0]=3 4757 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100011214892 [0,2,0,0,0,0|1,0,0]=3 4758 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100011214892 [0,2,0,0,0,0|1,0,0]=3 4759 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100000753411 [0,2,0,0,0,0|1,0,0]=3 4760 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100011214892 [0,2,0,0,0,0|1,0,0]=3 4761 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100000753411 [0,2,0,0,0,0|1,0,0]=3 4762 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100011214892 [0,2,0,0,0,0|1,0,0]=3 4763 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000753411 [0,2,0,0,0,0|1,0,0]=3 4764 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100011214892 [0,2,0,0,0,0|1,0,0]=3 4765 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100000753411 [0,2,0,0,0,0|1,0,0]=3 4766 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100011214892 [0,2,0,0,0,0|1,0,0]=3 4767 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100000753411 [0,2,0,0,0,0|1,0,0]=3 4768 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100011214892 [0,2,0,0,0,0|1,0,0]=3 4769 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100000753411 [0,2,0,0,0,0|1,0,0]=3 4770 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100000753411 [0,2,0,0,0,0|1,0,0]=3 4771 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000753411 [0,2,0,0,0,0|1,0,0]=3 4772 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100000753411 [0,2,0,0,0,0|1,0,0]=3 4773 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100000753411 [0,2,0,0,0,0|1,0,0]=3 4774 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100000753411 [0,2,0,0,0,0|1,0,0]=3 4775 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000753411 [0,2,0,0,0,0|1,0,0]=3 4776 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000753411 [0,2,0,0,0,0|1,0,0]=3 4777 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000753411 [0,2,0,0,0,0|1,0,0]=3 4778 B18R1.32338 CC(C)CCCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000753411 [0,2,0,0,0,0|1,0,0]=3 4779 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_100000210545_100102889548 [0,2,0,0,0,0|1,0,0]=3 4780 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100000210545_100102889548 [0,2,0,0,0,0|1,0,0]=3 4781 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100000210545_100102889548 [0,2,0,0,0,0|1,0,0]=3 4782 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Br)F 11a_100000210545_100011195070 [0,2,0,0,0,0|1,0,0]=3 4783 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100000210545_100011195070 [0,2,0,0,0,0|1,0,0]=3 4784 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100000210545_100011195070 [0,2,0,0,0,0|1,0,0]=3 4785 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000210545_200103079279 [0,2,0,0,0,0|1,0,0]=3 4786 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_100000210545_100000716972 [0,2,0,0,0,0|1,0,0]=3 4787 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100000210545_100000716972 [0,2,0,0,0,0|1,0,0]=3 4788 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100000210545_100000716972 [0,2,0,0,0,0|1,0,0]=3 4789 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_100000210545_100102525453 [0,2,0,0,0,0|1,0,0]=3 4790 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100000210545_100102525453 [0,2,0,0,0,0|1,0,0]=3 4791 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100000210545_100102525453 [0,2,0,0,0,0|1,0,0]=3 4792 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000210545_200103117615 [0,2,0,0,0,0|1,0,0]=3 4793 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)F)Br 11a_100000210545_100102601611 [0,2,0,0,0,0|1,0,0]=3 4794 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100000210545_100102601611 [0,2,0,0,0,0|1,0,0]=3 4795 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100000210545_100102601611 [0,2,0,0,0,0|1,0,0]=3 4796 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_100000210545_100020610926 [0,2,0,0,0,0|1,0,0]=3 4797 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100000210545_100020610926 [0,2,0,0,0,0|1,0,0]=3 4798 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100000210545_100020610926 [0,2,0,0,0,0|1,0,0]=3 4799 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)F)F 11a_100000210545_100011195075 [0,2,0,0,0,0|1,0,0]=3 4800 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100000210545_100011195075 [0,2,0,0,0,0|1,0,0]=3 4801 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100000210545_100011195075 [0,2,0,0,0,0|1,0,0]=3 4802 B18R1.32338 CC(C)CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000210545_100011195073 [0,2,0,0,0,0|1,0,0]=3 4803 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)Br)Cl 22a_100000696102_100102889548 [0,2,0,0,0,0|2,0,0]=4 4804 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)Br)F 22a_100000696102_100011195070 [0,2,0,0,0,0|2,0,0]=4 4805 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)Br)O 22a_100000696102_200103079279 [0,2,0,0,0,0|2,0,0]=4 4806 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)Cl)Cl 22a_100000696102_100000716972 [0,2,0,0,0,0|2,0,0]=4 4807 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)Cl)F 22a_100000696102_100102525453 [0,2,0,0,0,0|2,0,0]=4 4808 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)Cl)O 22a_100000696102_200103117615 [0,2,0,0,0,0|2,0,0]=4 4809 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)F)Br 22a_100000696102_100102601611 [0,2,0,0,0,0|2,0,0]=4 4810 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)F)Cl 22a_100000696102_100020610926 [0,2,0,0,0,0|2,0,0]=4 4811 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)F)F 22a_100000696102_100011195075 [0,2,0,0,0,0|2,0,0]=4 4812 B18R1.32338 CC(C)CNNC(=O)C=Cc1ccc(c(c1)O)O 22a_100000696102_100011195073 [0,2,0,0,0,0|2,0,0]=4 4813 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000211751 [0,2,0,0,0,0|2,0,0]=4 4814 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_200011219172 [0,2,0,0,0,0|2,0,0]=4 4815 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000211751 [0,2,0,0,0,0|2,0,0]=4 4816 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_200011219172 [0,2,0,0,0,0|2,0,0]=4 4817 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000211751 [0,2,0,0,0,0|2,0,0]=4 4818 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000211751 [0,2,0,0,0,0|2,0,0]=4 4819 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_200011219172 [0,2,0,0,0,0|2,0,0]=4 4820 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000211751 [0,2,0,0,0,0|2,0,0]=4 4821 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_200011219172 [0,2,0,0,0,0|2,0,0]=4 4822 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000211751 [0,2,0,0,0,0|2,0,0]=4 4823 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_200011219172 [0,2,0,0,0,0|2,0,0]=4 4824 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000211751 [0,2,0,0,0,0|2,0,0]=4 4825 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_200011219172 [0,2,0,0,0,0|2,0,0]=4 4826 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000211751 [0,2,0,0,0,0|2,0,0]=4 4827 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_200011219172 [0,2,0,0,0,0|2,0,0]=4 4828 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000211751 [0,2,0,0,0,0|2,0,0]=4 4829 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_200011219172 [0,2,0,0,0,0|2,0,0]=4 4830 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_200011219172 [0,2,0,0,0,0|2,0,0]=4 4831 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_200011219172 [0,2,0,0,0,0|2,0,0]=4 4832 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_200011219172 [0,2,0,0,0,0|2,0,0]=4 4833 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_200011219172 [0,2,0,0,0,0|2,0,0]=4 4834 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_200011219172 [0,2,0,0,0,0|2,0,0]=4 4835 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_200011219172 [0,2,0,0,0,0|2,0,0]=4 4836 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_200011219172 [0,2,0,0,0,0|2,0,0]=4 4837 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_200011219172 [0,2,0,0,0,0|2,0,0]=4 4838 B18R1.32338 CC(C)OCCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_200011219172 [0,2,0,0,0,0|2,0,0]=4 4839 B18R1.32338 CC(C)SCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000730970 [0,2,0,0,0,0|2,0,0]=4 4840 B18R1.32338 CC(C)SCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000730970 [0,2,0,0,0,0|2,0,0]=4 4841 B18R1.32338 CC(C)SCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000730970 [0,2,0,0,0,0|2,0,0]=4 4842 B18R1.32338 CC(C)SCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000730970 [0,2,0,0,0,0|2,0,0]=4 4843 B18R1.32338 CC(C)SCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000730970 [0,2,0,0,0,0|2,0,0]=4 4844 B18R1.32338 CC(C)SCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000730970 [0,2,0,0,0,0|2,0,0]=4 4845 B18R1.32338 CC(C)SCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000730970 [0,2,0,0,0,0|2,0,0]=4 4846 B18R1.32338 CC(C)SCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000730970 [0,2,0,0,0,0|2,0,0]=4 4847 B18R1.32338 CC(C)SCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000730970 [0,2,0,0,0,0|2,0,0]=4 4848 B18R1.32338 CC(O)CCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200000718107 [0,2,0,0,0,0|2,0,0]=4 4849 B18R1.32338 CC(O)CCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200000718107 [0,2,0,0,0,0|2,0,0]=4 4850 B18R1.32338 CC(O)CCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000718107 [0,2,0,0,0,0|2,0,0]=4 4851 B18R1.32338 CC(O)CCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200000718107 [0,2,0,0,0,0|2,0,0]=4 4852 B18R1.32338 CC(O)CCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200000718107 [0,2,0,0,0,0|2,0,0]=4 4853 B18R1.32338 CC(O)CCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000718107 [0,2,0,0,0,0|2,0,0]=4 4854 B18R1.32338 CC(O)CCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200000718107 [0,2,0,0,0,0|2,0,0]=4 4855 B18R1.32338 CC(O)CCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200000718107 [0,2,0,0,0,0|2,0,0]=4 4856 B18R1.32338 CC(O)CCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200000718107 [0,2,0,0,0,0|2,0,0]=4 4857 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_200000755665_100102889548 [0,2,0,0,0,0|2,0,0]=4 4858 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_200000755665_100011195070 [0,2,0,0,0,0|2,0,0]=4 4859 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_200000755665_200103079279 [0,2,0,0,0,0|2,0,0]=4 4860 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_200000755665_100000716972 [0,2,0,0,0,0|2,0,0]=4 4861 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_200000755665_100102525453 [0,2,0,0,0,0|2,0,0]=4 4862 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_200000755665_200103117615 [0,2,0,0,0,0|2,0,0]=4 4863 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_200000755665_100102601611 [0,2,0,0,0,0|2,0,0]=4 4864 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_200000755665_100020610926 [0,2,0,0,0,0|2,0,0]=4 4865 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_200000755665_100011195075 [0,2,0,0,0,0|2,0,0]=4 4866 B18R1.32338 CC(O)CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_200000755665_100011195073 [0,2,0,0,0,0|2,0,0]=4 4867 B18R1.32338 CN(C)CCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000695564 [0,2,0,0,0,0|2,0,0]=4 4868 B18R1.32338 CN(C)CCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000695564 [0,2,0,0,0,0|2,0,0]=4 4869 B18R1.32338 CN(C)CCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000695564 [0,2,0,0,0,0|2,0,0]=4 4870 B18R1.32338 CN(C)CCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000695564 [0,2,0,0,0,0|2,0,0]=4 4871 B18R1.32338 CN(C)CCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000695564 [0,2,0,0,0,0|2,0,0]=4 4872 B18R1.32338 CN(C)CCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000695564 [0,2,0,0,0,0|2,0,0]=4 4873 B18R1.32338 CN(C)CCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000695564 [0,2,0,0,0,0|2,0,0]=4 4874 B18R1.32338 CN(C)CCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000695564 [0,2,0,0,0,0|2,0,0]=4 4875 B18R1.32338 CN(C)CCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000695564 [0,2,0,0,0,0|2,0,0]=4 4876 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100000210585_100102889548 [0,2,0,0,0,0|2,0,0]=4 4877 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100000210585_100011195070 [0,2,0,0,0,0|2,0,0]=4 4878 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000210585_200103079279 [0,2,0,0,0,0|2,0,0]=4 4879 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100000210585_100000716972 [0,2,0,0,0,0|2,0,0]=4 4880 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100000210585_100102525453 [0,2,0,0,0,0|2,0,0]=4 4881 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000210585_200103117615 [0,2,0,0,0,0|2,0,0]=4 4882 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100000210585_100102601611 [0,2,0,0,0,0|2,0,0]=4 4883 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100000210585_100020610926 [0,2,0,0,0,0|2,0,0]=4 4884 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100000210585_100011195075 [0,2,0,0,0,0|2,0,0]=4 4885 B18R1.32338 CN(C)CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000210585_100011195073 [0,2,0,0,0,0|2,0,0]=4 4886 B18R1.32338 Cc1cc(ccc1Cl)C=CC(=O)CCCC(C)C 6a_100000698814_100000753411 [0,2,0,0,0,0|1,0,0]=3 4887 B18R1.32338 Cc1cc(ccc1Cl)C=CC(=O)CCOC(C)C 6a_100000698814_200011219172 [0,2,0,0,0,0|2,0,0]=4 4888 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)CCCC(C)C 1458a_100016261966_100011214892 [0,2,0,0,0,0|1,0,0]=3 4889 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)CCCC(C)C 6a_100000748208_100000753411 [0,2,0,0,0,0|1,0,0]=3 4890 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)CCCC(C)O 1458a_100016261966_200000718107 [0,2,0,0,0,0|2,0,0]=4 4891 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)CCCN(C)C 1458a_100016261966_100000695564 [0,2,0,0,0,0|2,0,0]=4 4892 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)CCOC(C)C 1458a_100016261966_100000211751 [0,2,0,0,0,0|2,0,0]=4 4893 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)CCOC(C)C 6a_100000748208_200011219172 [0,2,0,0,0,0|2,0,0]=4 4894 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)CCSC(C)C 1458a_100016261966_100000730970 [0,2,0,0,0,0|2,0,0]=4 4895 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)NCCC(C)C 11a_100000210545_100016261966 [0,2,0,0,0,0|1,0,0]=3 4896 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)NCCC(C)C 1626a_100000210545_100016261966 [0,2,0,0,0,0|1,0,0]=3 4897 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)NCCC(C)C 240690a_100000210545_100016261966 [0,2,0,0,0,0|1,0,0]=3 4898 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)NCCC(C)O 240690a_200000755665_100016261966 [0,2,0,0,0,0|2,0,0]=4 4899 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)NCCN(C)C 240690a_100000210585_100016261966 [0,2,0,0,0,0|2,0,0]=4 4900 B18R1.32338 Cc1cc(ccc1F)C=CC(=O)NNCC(C)C 22a_100000696102_100016261966 [0,2,0,0,0,0|2,0,0]=4 4901 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)CCCC(C)C 1458a_100011338269_100011214892 [0,2,0,0,0,0|1,0,0]=3 4902 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)CCCC(C)C 6a_100000229942_100000753411 [0,2,0,0,0,0|1,0,0]=3 4903 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)CCCC(C)O 1458a_100011338269_200000718107 [0,2,0,0,0,0|2,0,0]=4 4904 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)CCCN(C)C 1458a_100011338269_100000695564 [0,2,0,0,0,0|2,0,0]=4 4905 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)CCOC(C)C 1458a_100011338269_100000211751 [0,2,0,0,0,0|2,0,0]=4 4906 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)CCOC(C)C 6a_100000229942_200011219172 [0,2,0,0,0,0|2,0,0]=4 4907 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)CCSC(C)C 1458a_100011338269_100000730970 [0,2,0,0,0,0|2,0,0]=4 4908 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)NCCC(C)C 11a_100000210545_100011338269 [0,2,0,0,0,0|1,0,0]=3 4909 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)NCCC(C)C 1626a_100000210545_100011338269 [0,2,0,0,0,0|1,0,0]=3 4910 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)NCCC(C)C 240690a_100000210545_100011338269 [0,2,0,0,0,0|1,0,0]=3 4911 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)NCCC(C)O 240690a_200000755665_100011338269 [0,2,0,0,0,0|2,0,0]=4 4912 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)NCCN(C)C 240690a_100000210585_100011338269 [0,2,0,0,0,0|2,0,0]=4 4913 B18R1.32338 Cc1ccc(cc1C)C=CC(=O)NNCC(C)C 22a_100000696102_100011338269 [0,2,0,0,0,0|2,0,0]=4 4914 B18R1.32338 Cc1ccc(cc1Cl)C=CC(=O)CCCC(C)C 6a_100000760539_100000753411 [0,2,0,0,0,0|1,0,0]=3 4915 B18R1.32338 Cc1ccc(cc1Cl)C=CC(=O)CCOC(C)C 6a_100000760539_200011219172 [0,2,0,0,0,0|2,0,0]=4 4916 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)CCCC(C)C 1458a_100102526211_100011214892 [0,2,0,0,0,0|1,0,0]=3 4917 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)CCCC(C)C 6a_100000753222_100000753411 [0,2,0,0,0,0|1,0,0]=3 4918 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)CCCC(C)O 1458a_100102526211_200000718107 [0,2,0,0,0,0|2,0,0]=4 4919 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)CCCN(C)C 1458a_100102526211_100000695564 [0,2,0,0,0,0|2,0,0]=4 4920 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)CCOC(C)C 1458a_100102526211_100000211751 [0,2,0,0,0,0|2,0,0]=4 4921 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)CCOC(C)C 6a_100000753222_200011219172 [0,2,0,0,0,0|2,0,0]=4 4922 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)CCSC(C)C 1458a_100102526211_100000730970 [0,2,0,0,0,0|2,0,0]=4 4923 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)NCCC(C)C 11a_100000210545_100102526211 [0,2,0,0,0,0|1,0,0]=3 4924 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)NCCC(C)C 1626a_100000210545_100102526211 [0,2,0,0,0,0|1,0,0]=3 4925 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)NCCC(C)C 240690a_100000210545_100102526211 [0,2,0,0,0,0|1,0,0]=3 4926 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)NCCC(C)O 240690a_200000755665_100102526211 [0,2,0,0,0,0|2,0,0]=4 4927 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)NCCN(C)C 240690a_100000210585_100102526211 [0,2,0,0,0,0|2,0,0]=4 4928 B18R1.32338 Cc1ccc(cc1F)C=CC(=O)NNCC(C)C 22a_100000696102_100102526211 [0,2,0,0,0,0|2,0,0]=4 4929 B18R1.32338 Cc1ccc(cc1I)C=CC(=O)CCCC(C)C 6a_100010197721_100000753411 [0,2,0,0,0,0|1,0,0]=3 4930 B18R1.32338 Cc1ccc(cc1I)C=CC(=O)CCOC(C)C 6a_100010197721_200011219172 [0,2,0,0,0,0|2,0,0]=4 4931 B18R1.437 CC(C)(C#N)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000759902 [0,2,0,0,0,0|1,0,0]=3 4932 B18R1.437 CC(C)(C#N)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000759902 [0,2,0,0,0,0|2,0,0]=4 4933 B18R1.437 CC(C)(C#N)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000759902 [0,2,0,0,0,0|2,0,0]=4 4934 B18R1.437 CC(C)(C#N)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000759902 [0,2,0,0,0,0|2,0,0]=4 4935 B18R1.623 CCN(CC)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000709985 [0,2,0,0,0,0|2,0,0]=4 4936 B18R1.623 CCN(CC)CCNC(=O)C=Cc1ccccc1 1626a_100015382049_100000210462 [0,2,0,0,0,0|2,0,0]=4 4937 B18R1.623 COC(CCCC(=O)C=Cc1ccccc1)OC 1458a_100000210462_100000069011 [0,2,0,0,0,0|1,0,0]=3 4938 B18R1.623 COC(CCCC(=O)C=Cc1ccccn1)OC 1458a_100000740811_100000069011 [0,2,0,0,0,0|2,0,0]=4 4939 B18R1.623 COC(CCCC(=O)C=Cc1cccnc1)OC 1458a_100000735890_100000069011 [0,2,0,0,0,0|2,0,0]=4 4940 B18R1.623 COC(CCCC(=O)C=Cc1ccncc1)OC 1458a_100000682801_100000069011 [0,2,0,0,0,0|2,0,0]=4 4941 B18R1.1083 CC(CO)CCNC(=O)C=Cc1cccc(c1)Br 240690a_106354213184_100016258244 [0,2,0,0,0,0|1,0,0]=3 4942 B18R1.1083 CC(CO)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_106354213184_100000184502 [0,2,0,0,0,0|1,0,0]=3 4943 B18R1.1083 CC(CO)CCNC(=O)C=Cc1cccc(c1)F 240690a_106354213184_100000718793 [0,2,0,0,0,0|1,0,0]=3 4944 B18R1.1083 CC(CO)CCNC(=O)C=Cc1cccc(c1)I 240690a_106354213184_100020647043 [0,2,0,0,0,0|1,0,0]=3 4945 B18R1.1083 CC=C(C)CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000073480 [0,2,0,0,0,0|1,0,1]=4 4946 B18R1.1083 CC=C(C)CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000073480 [0,2,0,0,0,0|1,0,1]=4 4947 B18R1.1083 CC=C(C)CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000073480 [0,2,0,0,0,0|1,0,1]=4 4948 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)Br 11a_100020591266_100016258244 [0,2,0,0,0,0|1,0,0]=3 4949 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)Br 1626a_100020591266_100016258244 [0,2,0,0,0,0|1,0,0]=3 4950 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100020591266_100016258244 [0,2,0,0,0,0|1,0,0]=3 4951 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)C 11a_100020591266_100000690095 [0,2,0,0,0,0|1,0,0]=3 4952 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)C 1626a_100020591266_100000690095 [0,2,0,0,0,0|1,0,0]=3 4953 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)C 240690a_100020591266_100000690095 [0,2,0,0,0,0|1,0,0]=3 4954 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)Cl 11a_100020591266_100000184502 [0,2,0,0,0,0|1,0,0]=3 4955 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020591266_100000184502 [0,2,0,0,0,0|1,0,0]=3 4956 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020591266_100000184502 [0,2,0,0,0,0|1,0,0]=3 4957 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)F 11a_100020591266_100000718793 [0,2,0,0,0,0|1,0,0]=3 4958 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)F 1626a_100020591266_100000718793 [0,2,0,0,0,0|1,0,0]=3 4959 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)F 240690a_100020591266_100000718793 [0,2,0,0,0,0|1,0,0]=3 4960 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)I 11a_100020591266_100020647043 [0,2,0,0,0,0|1,0,0]=3 4961 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)I 1626a_100020591266_100020647043 [0,2,0,0,0,0|1,0,0]=3 4962 B18R1.1083 CCC(C)CCNC(=O)C=Cc1cccc(c1)I 240690a_100020591266_100020647043 [0,2,0,0,0,0|1,0,0]=3 4963 B18R1.1083 CCN(C)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100015186262 [0,2,0,0,0,0|2,0,0]=4 4964 B18R1.1083 CCN(C)CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000739861 [0,2,0,0,0,0|2,0,0]=4 4965 B18R1.1083 CCN(C)CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100015186262 [0,2,0,0,0,0|2,0,0]=4 4966 B18R1.1083 CCN(C)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100015186262 [0,2,0,0,0,0|2,0,0]=4 4967 B18R1.1083 CCN(C)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100015186262 [0,2,0,0,0,0|2,0,0]=4 4968 B18R1.1083 CCN(C)CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000739861 [0,2,0,0,0,0|2,0,0]=4 4969 B18R1.1083 CCN(C)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100015186262 [0,2,0,0,0,0|2,0,0]=4 4970 B18R1.1083 CCN(C)CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000739861 [0,2,0,0,0,0|2,0,0]=4 4971 B18R1.1083 Cc1cccc(c1)C=CC(=O)NCCC(C)CO 240690a_106354213184_100000690095 [0,2,0,0,0,0|1,0,0]=3 4972 B18R1.1192 C/C(=C\c1ccccc1)/C(=O)NCCC(C)CO 527a_106354213184_100016990649 [0,2,0,0,0,0|1,0,0]=3 4973 B18R1.1192 C/C(=C\c1ccccn1)/C(=O)NCCC(C)CO 527a_106354213184_100025712827 [0,2,0,0,0,0|2,0,0]=4 4974 B18R1.1192 C=C(Cc1ccccc1)C(=O)NCCC(C)CC 11a_100020591266_100000066491 [0,2,0,0,0,0|1,0,1]=4 4975 B18R1.1192 C=C(Cc1ccccc1)C(=O)NCCC(C)CC 1626a_100020591266_100000066491 [0,2,0,0,0,0|1,0,1]=4 4976 B18R1.1192 CC(CO)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_106354213184_200020598536 [0,2,0,0,0,0|1,0,0]=3 4977 B18R1.1192 CC(CO)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_106354213184_200020598536 [0,2,0,0,0,0|1,0,0]=3 4978 B18R1.1192 CC(CO)CCNC(=O)/C(=C\c1ccccc1)/F 527a_106354213184_100020889036 [0,2,0,0,0,0|1,0,0]=3 4979 B18R1.1192 CC(CO)CCNC(=O)C(=Cc1cccnc1)F 240690a_106354213184_100000731744 [0,2,0,0,0,0|2,0,0]=4 4980 B18R1.1192 CC(CO)CCNC(=O)C(=Cc1cccnc1)F 527a_106354213184_100000731744 [0,2,0,0,0,0|2,0,0]=4 4981 B18R1.1192 CC(CO)CCNC(=O)C(=O)Nc1ccccc1 240690a_106354213184_100000738435 [0,2,0,0,0,0|2,0,0]=4 4982 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccc1)/C 11a_100020591266_100016990649 [0,2,0,0,0,0|1,0,0]=3 4983 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020591266_100016990649 [0,2,0,0,0,0|1,0,0]=3 4984 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccc1)/C 527a_100020591266_100016990649 [0,2,0,0,0,0|1,0,0]=3 4985 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020591266_200020598536 [0,2,0,0,0,0|1,0,0]=3 4986 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020591266_200020598536 [0,2,0,0,0,0|1,0,0]=3 4987 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020591266_200020598536 [0,2,0,0,0,0|1,0,0]=3 4988 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020591266_200020598536 [0,2,0,0,0,0|1,0,0]=3 4989 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccn1)/C 11a_100020591266_100025712827 [0,2,0,0,0,0|2,0,0]=4 4990 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccn1)/C 1626a_100020591266_100025712827 [0,2,0,0,0,0|2,0,0]=4 4991 B18R1.1192 CCC(C)CCNC(=O)/C(=C/c1ccccn1)/C 527a_100020591266_100025712827 [0,2,0,0,0,0|2,0,0]=4 4992 B18R1.1192 CCC(C)CCNC(=O)/C(=C\c1ccccc1)/F 11a_100020591266_100020889036 [0,2,0,0,0,0|1,0,0]=3 4993 B18R1.1192 CCC(C)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100020591266_100020889036 [0,2,0,0,0,0|1,0,0]=3 4994 B18R1.1192 CCC(C)CCNC(=O)C(=Cc1cccnc1)F 11a_100020591266_100000731744 [0,2,0,0,0,0|2,0,0]=4 4995 B18R1.1192 CCC(C)CCNC(=O)C(=Cc1cccnc1)F 240690a_100020591266_100000731744 [0,2,0,0,0,0|2,0,0]=4 4996 B18R1.1192 CCC(C)CCNC(=O)C(=Cc1cccnc1)F 527a_100020591266_100000731744 [0,2,0,0,0,0|2,0,0]=4 4997 B18R1.1192 CCC(C)CCNC(=O)C(=O)Nc1ccccc1 240690a_100020591266_100000738435 [0,2,0,0,0,0|2,0,0]=4 4998 B18R1.1192 CCN(C)CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100015186262 [0,2,0,0,0,0|2,0,0]=4 4999 B18R1.1192 CCN(C)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015186262 [0,2,0,0,0,0|2,0,0]=4 5000 B18R1.1192 CCN(C)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100015186262 [0,2,0,0,0,0|2,0,0]=4 5001 B18R1.33196 CC(CO)CCNS(=O)(=O)C=Cc1ccccc1 40a_106354213184_100011098038 [0,2,0,0,0,0|2,0,0]=4 5002 B18R1.33196 CCC(C)CCNS(=O)(=O)C=Cc1ccccc1 40a_100020591266_100011098038 [0,2,0,0,0,0|2,0,0]=4 5003 B18R1.33868 CC(CO)CCNC(=O)C=Cc1ccccc1Br 240690a_106354213184_100000719032 [0,2,0,0,0,0|1,0,0]=3 5004 B18R1.33868 CC(CO)CCNC(=O)C=Cc1ccccc1Cl 240690a_106354213184_100000720304 [0,2,0,0,0,0|1,0,0]=3 5005 B18R1.33868 CC(CO)CCNC(=O)C=Cc1ccccc1F 240690a_106354213184_100016256065 [0,2,0,0,0,0|1,0,0]=3 5006 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1Br 11a_100020591266_100000719032 [0,2,0,0,0,0|1,0,0]=3 5007 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1Br 1626a_100020591266_100000719032 [0,2,0,0,0,0|1,0,0]=3 5008 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1Br 240690a_100020591266_100000719032 [0,2,0,0,0,0|1,0,0]=3 5009 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1C 1626a_100020591266_100016266485 [0,2,0,0,0,0|1,0,0]=3 5010 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1Cl 11a_100020591266_100000720304 [0,2,0,0,0,0|1,0,0]=3 5011 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1Cl 1626a_100020591266_100000720304 [0,2,0,0,0,0|1,0,0]=3 5012 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1Cl 240690a_100020591266_100000720304 [0,2,0,0,0,0|1,0,0]=3 5013 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1F 11a_100020591266_100016256065 [0,2,0,0,0,0|1,0,0]=3 5014 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1F 1626a_100020591266_100016256065 [0,2,0,0,0,0|1,0,0]=3 5015 B18R1.33868 CCC(C)CCNC(=O)C=Cc1ccccc1F 240690a_100020591266_100016256065 [0,2,0,0,0,0|1,0,0]=3 5016 B18R1.33868 CCN(C)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100015186262 [0,2,0,0,0,0|2,0,0]=4 5017 B18R1.33868 CCN(C)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100015186262 [0,2,0,0,0,0|2,0,0]=4 5018 B18R1.33868 CCN(C)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100015186262 [0,2,0,0,0,0|2,0,0]=4 5019 B18R1.33868 CCN(C)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100015186262 [0,2,0,0,0,0|2,0,0]=4 5020 B18R1.34507 CCC(C)CC(C)NC(=O)C=Cc1ccccc1 11a_100000763565_100000210462 [0,2,0,0,0,0|1,0,0]=3 5021 B18R1.34507 CCC(C)CC(C)NC(=O)C=Cc1ccccc1 1626a_100000763565_100000210462 [0,2,0,0,0,0|1,0,0]=3 5022 B18R1.34507 CCC(C)CC(C)NC(=O)C=Cc1ccccn1 11a_100000763565_100000740811 [0,2,0,0,0,0|2,0,0]=4 5023 B18R1.34507 CCC(C)CC(C)NC(=O)C=Cc1ccccn1 240690a_100000763565_100000740811 [0,2,0,0,0,0|2,0,0]=4 5024 B18R1.34507 CCC(C)CC(C)NC(=O)C=Cc1cccnc1 11a_100000763565_100000735890 [0,2,0,0,0,0|2,0,0]=4 5025 B18R1.34507 CCC(C)CC(C)NC(=O)C=Cc1cccnc1 240690a_100000763565_100000735890 [0,2,0,0,0,0|2,0,0]=4 5026 B18R1.34507 CCC(C)CC(C)NC(=O)C=Cc1ccncc1 240690a_100000763565_100000682801 [0,2,0,0,0,0|2,0,0]=4 5027 B18R1.34914 CCC(C)C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000758301 [0,2,0,0,0,0|1,0,1]=4 5028 B18R1.5075 C/C(=C\c1ccccc1)/C(=O)C(C)CCC(C)C 1458a_100016990649_100011261404 [0,2,0,0,0,0|1,0,0]=3 5029 B18R1.5075 C/C(=C\c1ccccc1)/C(=O)N(C)CCC(C)C 11a_100000742789_100016990649 [0,2,0,0,0,0|1,0,0]=3 5030 B18R1.5075 C/C(=C\c1ccccc1)/C(=O)N(C)CCC(C)C 1626a_100000742789_100016990649 [0,2,0,0,0,0|1,0,0]=3 5031 B18R1.5075 C/C(=C\c1ccccc1)/C(=O)N(C)CCC(C)C 527a_100000742789_100016990649 [0,2,0,0,0,0|1,0,0]=3 5032 B18R1.5075 C/C(=C\c1ccccc1)/C(=O)N(C)CCN(C)C 527a_100000225618_100016990649 [0,2,0,0,0,0|2,0,0]=4 5033 B18R1.5075 C/C(=C\c1ccccn1)/C(=O)C(C)CCC(C)C 1458a_100025712827_100011261404 [0,2,0,0,0,0|2,0,0]=4 5034 B18R1.5075 C/C(=C\c1ccccn1)/C(=O)N(C)CCC(C)C 11a_100000742789_100025712827 [0,2,0,0,0,0|2,0,0]=4 5035 B18R1.5075 C/C(=C\c1ccccn1)/C(=O)N(C)CCC(C)C 1626a_100000742789_100025712827 [0,2,0,0,0,0|2,0,0]=4 5036 B18R1.5075 C/C(=C\c1ccccn1)/C(=O)N(C)CCC(C)C 527a_100000742789_100025712827 [0,2,0,0,0,0|2,0,0]=4 5037 B18R1.5075 C=C(Cc1ccccc1)C(=O)N(C)CCC(C)C 11a_100000742789_100000066491 [0,2,0,0,0,0|1,0,1]=4 5038 B18R1.5075 C=C(Cc1ccccc1)C(=O)N(C)CCC(C)C 1626a_100000742789_100000066491 [0,2,0,0,0,0|1,0,1]=4 5039 B18R1.5075 CC(C)CCC(C)C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011261404 [0,2,0,0,0,0|1,0,0]=3 5040 B18R1.5075 CC(C)CCC(C)C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011261404 [0,2,0,0,0,0|1,0,0]=3 5041 B18R1.5075 CC(C)CCC(C)C(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011261404 [0,2,0,0,0,0|2,0,0]=4 5042 B18R1.5075 CC(C)CCC(C)C(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011261404 [0,2,0,0,0,0|2,0,0]=4 5043 B18R1.5075 CC(C)CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000742789_200020598536 [0,2,0,0,0,0|1,0,0]=3 5044 B18R1.5075 CC(C)CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000742789_200020598536 [0,2,0,0,0,0|1,0,0]=3 5045 B18R1.5075 CC(C)CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000742789_200020598536 [0,2,0,0,0,0|1,0,0]=3 5046 B18R1.5075 CC(C)CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000742789_200020598536 [0,2,0,0,0,0|1,0,0]=3 5047 B18R1.5075 CC(C)CCN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000742789_100020889036 [0,2,0,0,0,0|1,0,0]=3 5048 B18R1.5075 CC(C)CCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000742789_100020889036 [0,2,0,0,0,0|1,0,0]=3 5049 B18R1.5075 CC(C)CCN(C)C(=O)C(=Cc1cccnc1)F 11a_100000742789_100000731744 [0,2,0,0,0,0|2,0,0]=4 5050 B18R1.5075 CC(C)CCN(C)C(=O)C(=Cc1cccnc1)F 240690a_100000742789_100000731744 [0,2,0,0,0,0|2,0,0]=4 5051 B18R1.5075 CC(C)CCN(C)C(=O)C(=Cc1cccnc1)F 527a_100000742789_100000731744 [0,2,0,0,0,0|2,0,0]=4 5052 B18R1.5075 CC(C)CCN(C)C(=O)C(=O)Nc1ccccc1 240690a_100000742789_100000738435 [0,2,0,0,0,0|2,0,0]=4 5053 B18R1.5075 CN(C)CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000225618_200020598536 [0,2,0,0,0,0|2,0,0]=4 5054 B18R1.5075 CN(C)CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000225618_200020598536 [0,2,0,0,0,0|2,0,0]=4 5055 B18R1.5075 CN(C)CCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000225618_100020889036 [0,2,0,0,0,0|2,0,0]=4 5056 B18R1.10220 CC(C)CCC(C)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100011261404 [0,2,0,0,0,0|1,0,0]=3 5057 B18R1.10220 CC(C)CCC(C)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011261404 [0,2,0,0,0,0|1,0,0]=3 5058 B18R1.10220 CC(C)CCC(C)C(=O)C=Cc1ccccc1F 1458a_100016256065_100011261404 [0,2,0,0,0,0|1,0,0]=3 5059 B18R1.10220 CC(C)CCC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100011261404 [0,2,0,0,0,0|1,0,0]=3 5060 B18R1.10220 CC(C)CCN(C)C(=O)C=Cc1ccccc1Br 11a_100000742789_100000719032 [0,2,0,0,0,0|1,0,0]=3 5061 B18R1.10220 CC(C)CCN(C)C(=O)C=Cc1ccccc1Br 1626a_100000742789_100000719032 [0,2,0,0,0,0|1,0,0]=3 5062 B18R1.10220 CC(C)CCN(C)C(=O)C=Cc1ccccc1Br 240690a_100000742789_100000719032 [0,2,0,0,0,0|1,0,0]=3 5063 B18R1.10220 CC(C)CCN(C)C(=O)C=Cc1ccccc1Cl 11a_100000742789_100000720304 [0,2,0,0,0,0|1,0,0]=3 5064 B18R1.10220 CC(C)CCN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000742789_100000720304 [0,2,0,0,0,0|1,0,0]=3 5065 B18R1.10220 CC(C)CCN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000742789_100000720304 [0,2,0,0,0,0|1,0,0]=3 5066 B18R1.10220 CC(C)CCN(C)C(=O)C=Cc1ccccc1F 11a_100000742789_100016256065 [0,2,0,0,0,0|1,0,0]=3 5067 B18R1.10220 CC(C)CCN(C)C(=O)C=Cc1ccccc1F 1626a_100000742789_100016256065 [0,2,0,0,0,0|1,0,0]=3 5068 B18R1.10220 CC(C)CCN(C)C(=O)C=Cc1ccccc1F 240690a_100000742789_100016256065 [0,2,0,0,0,0|1,0,0]=3 5069 B18R1.10220 CN(C)CCN(C)C(=O)C=Cc1ccccc1Br 240690a_100000225618_100000719032 [0,2,0,0,0,0|2,0,0]=4 5070 B18R1.10220 CN(C)CCN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000225618_100000720304 [0,2,0,0,0,0|2,0,0]=4 5071 B18R1.10220 CN(C)CCN(C)C(=O)C=Cc1ccccc1F 240690a_100000225618_100016256065 [0,2,0,0,0,0|2,0,0]=4 5072 B18R1.10220 Cc1ccccc1C=CC(=O)N(C)CCC(C)C 1626a_100000742789_100016266485 [0,2,0,0,0,0|1,0,0]=3 5073 B18R1.17710 CC(C)CCC(C)C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011261404 [0,2,0,0,0,0|1,0,0]=3 5074 B18R1.17710 CC(C)CCC(C)C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011261404 [0,2,0,0,0,0|1,0,0]=3 5075 B18R1.17710 CC(C)CCC(C)C(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011261404 [0,2,0,0,0,0|1,0,0]=3 5076 B18R1.17710 CC(C)CCC(C)C(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011261404 [0,2,0,0,0,0|1,0,0]=3 5077 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000742789_100016258244 [0,2,0,0,0,0|1,0,0]=3 5078 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000742789_100016258244 [0,2,0,0,0,0|1,0,0]=3 5079 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000742789_100016258244 [0,2,0,0,0,0|1,0,0]=3 5080 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000742789_100000184502 [0,2,0,0,0,0|1,0,0]=3 5081 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000742789_100000184502 [0,2,0,0,0,0|1,0,0]=3 5082 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000742789_100000184502 [0,2,0,0,0,0|1,0,0]=3 5083 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)F 11a_100000742789_100000718793 [0,2,0,0,0,0|1,0,0]=3 5084 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000742789_100000718793 [0,2,0,0,0,0|1,0,0]=3 5085 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000742789_100000718793 [0,2,0,0,0,0|1,0,0]=3 5086 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)I 11a_100000742789_100020647043 [0,2,0,0,0,0|1,0,0]=3 5087 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000742789_100020647043 [0,2,0,0,0,0|1,0,0]=3 5088 B18R1.17710 CC(C)CCN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000742789_100020647043 [0,2,0,0,0,0|1,0,0]=3 5089 B18R1.17710 CN(C)CCN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000225618_100016258244 [0,2,0,0,0,0|2,0,0]=4 5090 B18R1.17710 CN(C)CCN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000225618_100000184502 [0,2,0,0,0,0|2,0,0]=4 5091 B18R1.17710 CN(C)CCN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000225618_100000718793 [0,2,0,0,0,0|2,0,0]=4 5092 B18R1.17710 CN(C)CCN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000225618_100020647043 [0,2,0,0,0,0|2,0,0]=4 5093 B18R1.17710 Cc1cccc(c1)C=CC(=O)C(C)CCC(C)C 1458a_100000690095_100011261404 [0,2,0,0,0,0|1,0,0]=3 5094 B18R1.17710 Cc1cccc(c1)C=CC(=O)N(C)CCC(C)C 11a_100000742789_100000690095 [0,2,0,0,0,0|1,0,0]=3 5095 B18R1.17710 Cc1cccc(c1)C=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000690095 [0,2,0,0,0,0|1,0,0]=3 5096 B18R1.17710 Cc1cccc(c1)C=CC(=O)N(C)CCC(C)C 240690a_100000742789_100000690095 [0,2,0,0,0,0|1,0,0]=3 5097 B18R1.17710 Cc1cccc(c1)C=CC(=O)N(C)CCN(C)C 240690a_100000225618_100000690095 [0,2,0,0,0,0|2,0,0]=4 5098 B18R1.20978 CC(C)CC(C)N(C)C(=O)C=Cc1ccccc1 11a_100000745462_100000210462 [0,2,0,0,0,0|1,0,0]=3 5099 B18R1.20978 CC(C)CC(C)N(C)C(=O)C=Cc1ccccc1 1626a_100000745462_100000210462 [0,2,0,0,0,0|1,0,0]=3 5100 B18R1.20978 CC(C)CC(C)N(C)C(=O)C=Cc1ccccn1 11a_100000745462_100000740811 [0,2,0,0,0,0|2,0,0]=4 5101 B18R1.20978 CC(C)CC(C)N(C)C(=O)C=Cc1ccccn1 240690a_100000745462_100000740811 [0,2,0,0,0,0|2,0,0]=4 5102 B18R1.20978 CC(C)CC(C)N(C)C(=O)C=Cc1cccnc1 11a_100000745462_100000735890 [0,2,0,0,0,0|2,0,0]=4 5103 B18R1.20978 CC(C)CC(C)N(C)C(=O)C=Cc1cccnc1 240690a_100000745462_100000735890 [0,2,0,0,0,0|2,0,0]=4 5104 B18R1.20978 CC(C)CC(C)N(C)C(=O)C=Cc1ccncc1 240690a_100000745462_100000682801 [0,2,0,0,0,0|2,0,0]=4 5105 B18R1.26136 CCN(CCC(C)C)C(=O)C=Cc1ccccc1 11a_100000207693_100000210462 [0,2,0,0,0,0|1,0,0]=3 5106 B18R1.26136 CCN(CCC(C)C)C(=O)C=Cc1ccccc1 1626a_100000207693_100000210462 [0,2,0,0,0,0|1,0,0]=3 5107 B18R1.26136 CCN(CCC(C)C)C(=O)C=Cc1ccccn1 11a_100000207693_100000740811 [0,2,0,0,0,0|2,0,0]=4 5108 B18R1.26136 CCN(CCC(C)C)C(=O)C=Cc1ccccn1 240690a_100000207693_100000740811 [0,2,0,0,0,0|2,0,0]=4 5109 B18R1.26136 CCN(CCC(C)C)C(=O)C=Cc1cccnc1 11a_100000207693_100000735890 [0,2,0,0,0,0|2,0,0]=4 5110 B18R1.26136 CCN(CCC(C)C)C(=O)C=Cc1cccnc1 240690a_100000207693_100000735890 [0,2,0,0,0,0|2,0,0]=4 5111 B18R1.26136 CCN(CCC(C)C)C(=O)C=Cc1ccncc1 240690a_100000207693_100000682801 [0,2,0,0,0,0|2,0,0]=4 5112 B18R1.37039 CC(C)CCC(C)(C)C(=O)C=Cc1ccccc1 1458a_100000210462_200000037585 [0,2,0,0,0,0|1,0,0]=3 5113 B18R1.37039 CC(C)CCC(C)(C)C(=O)C=Cc1ccccn1 1458a_100000740811_200000037585 [0,2,0,0,0,0|2,0,0]=4 5114 B18R1.37039 CC(C)CCC(C)(C)C(=O)C=Cc1cccnc1 1458a_100000735890_200000037585 [0,2,0,0,0,0|2,0,0]=4 5115 B18R1.37039 CC(C)CCC(C)(C)C(=O)C=Cc1ccncc1 1458a_100000682801_200000037585 [0,2,0,0,0,0|2,0,0]=4 5116 B18R1.58610 CC(C)CCN(C)S(=O)(=O)C=Cc1ccccc1 40a_100000742789_100011098038 [0,2,0,0,0,0|2,0,0]=4 5117 B18R1.7318 CC(C)CCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100011214892 [0,2,0,0,0,0|1,0,0]=3 5118 B18R1.7318 CC(C)CCNC(=O)C=Cc1ccccc1C#N 11a_100000210545_100016294624 [0,2,0,0,0,0|1,0,0]=3 5119 B18R1.7318 CC(C)CNNC(=O)C=Cc1ccccc1C#N 22a_100000696102_100016294624 [0,2,0,0,0,0|2,0,0]=4 5120 B18R1.7318 CC(C)OCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000211751 [0,2,0,0,0,0|2,0,0]=4 5121 B18R1.7318 CC(C)SCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000730970 [0,2,0,0,0,0|2,0,0]=4 5122 B18R1.7318 CC(O)CCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_200000718107 [0,2,0,0,0,0|2,0,0]=4 5123 B18R1.7318 CN(C)CCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000695564 [0,2,0,0,0,0|2,0,0]=4 5124 B18R1.7318 COc1ccccc1C=CC(=O)CCCC(C)C 1458a_100000182468_100011214892 [0,2,0,0,0,0|1,0,0]=3 5125 B18R1.7318 COc1ccccc1C=CC(=O)CCCC(C)O 1458a_100000182468_200000718107 [0,2,0,0,0,0|2,0,0]=4 5126 B18R1.7318 COc1ccccc1C=CC(=O)CCCN(C)C 1458a_100000182468_100000695564 [0,2,0,0,0,0|2,0,0]=4 5127 B18R1.7318 COc1ccccc1C=CC(=O)CCOC(C)C 1458a_100000182468_100000211751 [0,2,0,0,0,0|2,0,0]=4 5128 B18R1.7318 COc1ccccc1C=CC(=O)CCSC(C)C 1458a_100000182468_100000730970 [0,2,0,0,0,0|2,0,0]=4 5129 B18R1.7318 COc1ccccc1C=CC(=O)NCCC(C)C 11a_100000210545_100000182468 [0,2,0,0,0,0|1,0,0]=3 5130 B18R1.7318 COc1ccccc1C=CC(=O)NCCC(C)C 1626a_100000210545_100000182468 [0,2,0,0,0,0|1,0,0]=3 5131 B18R1.7318 COc1ccccc1C=CC(=O)NNCC(C)C 22a_100000696102_100000182468 [0,2,0,0,0,0|2,0,0]=4 5132 B18R1.7318 COc1ncccc1C=CC(=O)CCCC(C)C 1458a_100102601226_100011214892 [0,2,0,0,0,0|2,0,0]=4 5133 B18R1.7318 COc1ncccc1C=CC(=O)NCCC(C)C 11a_100000210545_100102601226 [0,2,0,0,0,0|2,0,0]=4 5134 B18R1.7318 COc1ncccc1C=CC(=O)NCCC(C)C 1626a_100000210545_100102601226 [0,2,0,0,0,0|2,0,0]=4 5135 B18R1.10006 CC(C)CCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100011214892 [0,2,0,0,0,0|1,0,0]=3 5136 B18R1.10006 CC(C)CCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100011214892 [0,2,0,0,0,0|1,0,0]=3 5137 B18R1.10006 CC(C)CCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100011214892 [0,2,0,0,0,0|1,0,0]=3 5138 B18R1.10006 CC(C)CCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100011214892 [0,2,0,0,0,0|1,0,0]=3 5139 B18R1.10006 CC(C)CCCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100000753411 [0,2,0,0,0,0|1,0,0]=3 5140 B18R1.10006 CC(C)CCCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100000753411 [0,2,0,0,0,0|1,0,0]=3 5141 B18R1.10006 CC(C)CCCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100000753411 [0,2,0,0,0,0|1,0,0]=3 5142 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1Cl)Cl 11a_100000210545_100000184505 [0,2,0,0,0,0|1,0,0]=3 5143 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100000210545_100000184505 [0,2,0,0,0,0|1,0,0]=3 5144 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100000210545_100000184505 [0,2,0,0,0,0|1,0,0]=3 5145 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1F)Br 11a_100000210545_100012351547 [0,2,0,0,0,0|1,0,0]=3 5146 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1F)Br 1626a_100000210545_100012351547 [0,2,0,0,0,0|1,0,0]=3 5147 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1F)Br 240690a_100000210545_100012351547 [0,2,0,0,0,0|1,0,0]=3 5148 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1F)Cl 11a_100000210545_100011217667 [0,2,0,0,0,0|1,0,0]=3 5149 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1F)Cl 1626a_100000210545_100011217667 [0,2,0,0,0,0|1,0,0]=3 5150 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100000210545_100011217667 [0,2,0,0,0,0|1,0,0]=3 5151 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1F)F 11a_100000210545_100102526107 [0,2,0,0,0,0|1,0,0]=3 5152 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1F)F 1626a_100000210545_100102526107 [0,2,0,0,0,0|1,0,0]=3 5153 B18R1.10006 CC(C)CCNC(=O)C=Cc1cccc(c1F)F 240690a_100000210545_100102526107 [0,2,0,0,0,0|1,0,0]=3 5154 B18R1.10006 CC(C)CNNC(=O)C=Cc1cccc(c1Cl)Cl 22a_100000696102_100000184505 [0,2,0,0,0,0|2,0,0]=4 5155 B18R1.10006 CC(C)CNNC(=O)C=Cc1cccc(c1F)Br 22a_100000696102_100012351547 [0,2,0,0,0,0|2,0,0]=4 5156 B18R1.10006 CC(C)CNNC(=O)C=Cc1cccc(c1F)Cl 22a_100000696102_100011217667 [0,2,0,0,0,0|2,0,0]=4 5157 B18R1.10006 CC(C)CNNC(=O)C=Cc1cccc(c1F)F 22a_100000696102_100102526107 [0,2,0,0,0,0|2,0,0]=4 5158 B18R1.10006 CC(C)OCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000211751 [0,2,0,0,0,0|2,0,0]=4 5159 B18R1.10006 CC(C)OCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000211751 [0,2,0,0,0,0|2,0,0]=4 5160 B18R1.10006 CC(C)OCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000211751 [0,2,0,0,0,0|2,0,0]=4 5161 B18R1.10006 CC(C)OCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000211751 [0,2,0,0,0,0|2,0,0]=4 5162 B18R1.10006 CC(C)OCCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_200011219172 [0,2,0,0,0,0|2,0,0]=4 5163 B18R1.10006 CC(C)OCCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_200011219172 [0,2,0,0,0,0|2,0,0]=4 5164 B18R1.10006 CC(C)OCCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_200011219172 [0,2,0,0,0,0|2,0,0]=4 5165 B18R1.10006 CC(C)SCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000730970 [0,2,0,0,0,0|2,0,0]=4 5166 B18R1.10006 CC(C)SCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000730970 [0,2,0,0,0,0|2,0,0]=4 5167 B18R1.10006 CC(C)SCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000730970 [0,2,0,0,0,0|2,0,0]=4 5168 B18R1.10006 CC(C)SCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000730970 [0,2,0,0,0,0|2,0,0]=4 5169 B18R1.10006 CC(O)CCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200000718107 [0,2,0,0,0,0|2,0,0]=4 5170 B18R1.10006 CC(O)CCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200000718107 [0,2,0,0,0,0|2,0,0]=4 5171 B18R1.10006 CC(O)CCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200000718107 [0,2,0,0,0,0|2,0,0]=4 5172 B18R1.10006 CC(O)CCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200000718107 [0,2,0,0,0,0|2,0,0]=4 5173 B18R1.10006 CC(O)CCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_200000755665_100000184505 [0,2,0,0,0,0|2,0,0]=4 5174 B18R1.10006 CC(O)CCNC(=O)C=Cc1cccc(c1F)Br 240690a_200000755665_100012351547 [0,2,0,0,0,0|2,0,0]=4 5175 B18R1.10006 CC(O)CCNC(=O)C=Cc1cccc(c1F)Cl 240690a_200000755665_100011217667 [0,2,0,0,0,0|2,0,0]=4 5176 B18R1.10006 CC(O)CCNC(=O)C=Cc1cccc(c1F)F 240690a_200000755665_100102526107 [0,2,0,0,0,0|2,0,0]=4 5177 B18R1.10006 CN(C)CCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000695564 [0,2,0,0,0,0|2,0,0]=4 5178 B18R1.10006 CN(C)CCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000695564 [0,2,0,0,0,0|2,0,0]=4 5179 B18R1.10006 CN(C)CCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000695564 [0,2,0,0,0,0|2,0,0]=4 5180 B18R1.10006 CN(C)CCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000695564 [0,2,0,0,0,0|2,0,0]=4 5181 B18R1.10006 CN(C)CCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100000210585_100000184505 [0,2,0,0,0,0|2,0,0]=4 5182 B18R1.10006 CN(C)CCNC(=O)C=Cc1cccc(c1F)Br 240690a_100000210585_100012351547 [0,2,0,0,0,0|2,0,0]=4 5183 B18R1.10006 CN(C)CCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100000210585_100011217667 [0,2,0,0,0,0|2,0,0]=4 5184 B18R1.10006 CN(C)CCNC(=O)C=Cc1cccc(c1F)F 240690a_100000210585_100102526107 [0,2,0,0,0,0|2,0,0]=4 5185 B18R1.10006 Cc1c(cccc1C=CC(=O)CCCC(C)C)F 1458a_100102526135_100011214892 [0,2,0,0,0,0|1,0,0]=3 5186 B18R1.10006 Cc1c(cccc1C=CC(=O)CCCC(C)O)F 1458a_100102526135_200000718107 [0,2,0,0,0,0|2,0,0]=4 5187 B18R1.10006 Cc1c(cccc1C=CC(=O)CCCN(C)C)F 1458a_100102526135_100000695564 [0,2,0,0,0,0|2,0,0]=4 5188 B18R1.10006 Cc1c(cccc1C=CC(=O)CCOC(C)C)F 1458a_100102526135_100000211751 [0,2,0,0,0,0|2,0,0]=4 5189 B18R1.10006 Cc1c(cccc1C=CC(=O)CCSC(C)C)F 1458a_100102526135_100000730970 [0,2,0,0,0,0|2,0,0]=4 5190 B18R1.10006 Cc1c(cccc1C=CC(=O)NCCC(C)C)F 11a_100000210545_100102526135 [0,2,0,0,0,0|1,0,0]=3 5191 B18R1.10006 Cc1c(cccc1C=CC(=O)NCCC(C)C)F 1626a_100000210545_100102526135 [0,2,0,0,0,0|1,0,0]=3 5192 B18R1.10006 Cc1c(cccc1C=CC(=O)NCCC(C)C)F 240690a_100000210545_100102526135 [0,2,0,0,0,0|1,0,0]=3 5193 B18R1.10006 Cc1c(cccc1C=CC(=O)NCCC(C)O)F 240690a_200000755665_100102526135 [0,2,0,0,0,0|2,0,0]=4 5194 B18R1.10006 Cc1c(cccc1C=CC(=O)NCCN(C)C)F 240690a_100000210585_100102526135 [0,2,0,0,0,0|2,0,0]=4 5195 B18R1.10006 Cc1c(cccc1C=CC(=O)NNCC(C)C)F 22a_100000696102_100102526135 [0,2,0,0,0,0|2,0,0]=4 5196 B18R1.10218 CC(C)(C)CCNC(=O)C=Cc1ccccc1Br 11a_100000738805_100000719032 [0,2,0,0,0,0|1,0,0]=3 5197 B18R1.10218 CC(C)(C)CCNC(=O)C=Cc1ccccc1Br 1626a_100000738805_100000719032 [0,2,0,0,0,0|1,0,0]=3 5198 B18R1.10218 CC(C)(C)CCNC(=O)C=Cc1ccccc1Br 240690a_100000738805_100000719032 [0,2,0,0,0,0|1,0,0]=3 5199 B18R1.10218 CC(C)(C)CCNC(=O)C=Cc1ccccc1Cl 11a_100000738805_100000720304 [0,2,0,0,0,0|1,0,0]=3 5200 B18R1.10218 CC(C)(C)CCNC(=O)C=Cc1ccccc1Cl 1626a_100000738805_100000720304 [0,2,0,0,0,0|1,0,0]=3 5201 B18R1.10218 CC(C)(C)CCNC(=O)C=Cc1ccccc1Cl 240690a_100000738805_100000720304 [0,2,0,0,0,0|1,0,0]=3 5202 B18R1.10218 CC(C)(C)CCNC(=O)C=Cc1ccccc1F 11a_100000738805_100016256065 [0,2,0,0,0,0|1,0,0]=3 5203 B18R1.10218 CC(C)(C)CCNC(=O)C=Cc1ccccc1F 1626a_100000738805_100016256065 [0,2,0,0,0,0|1,0,0]=3 5204 B18R1.10218 CC(C)(C)CCNC(=O)C=Cc1ccccc1F 240690a_100000738805_100016256065 [0,2,0,0,0,0|1,0,0]=3 5205 B18R1.10218 CC(C)(F)CCNC(=O)C=Cc1ccccc1Br 11a_100016253952_100000719032 [0,2,0,0,0,0|1,0,0]=3 5206 B18R1.10218 CC(C)(F)CCNC(=O)C=Cc1ccccc1Br 1626a_100016253952_100000719032 [0,2,0,0,0,0|1,0,0]=3 5207 B18R1.10218 CC(C)(F)CCNC(=O)C=Cc1ccccc1Br 240690a_100016253952_100000719032 [0,2,0,0,0,0|1,0,0]=3 5208 B18R1.10218 CC(C)(F)CCNC(=O)C=Cc1ccccc1Cl 11a_100016253952_100000720304 [0,2,0,0,0,0|1,0,0]=3 5209 B18R1.10218 CC(C)(F)CCNC(=O)C=Cc1ccccc1Cl 1626a_100016253952_100000720304 [0,2,0,0,0,0|1,0,0]=3 5210 B18R1.10218 CC(C)(F)CCNC(=O)C=Cc1ccccc1Cl 240690a_100016253952_100000720304 [0,2,0,0,0,0|1,0,0]=3 5211 B18R1.10218 CC(C)(F)CCNC(=O)C=Cc1ccccc1F 11a_100016253952_100016256065 [0,2,0,0,0,0|1,0,0]=3 5212 B18R1.10218 CC(C)(F)CCNC(=O)C=Cc1ccccc1F 1626a_100016253952_100016256065 [0,2,0,0,0,0|1,0,0]=3 5213 B18R1.10218 CC(C)(F)CCNC(=O)C=Cc1ccccc1F 240690a_100016253952_100016256065 [0,2,0,0,0,0|1,0,0]=3 5214 B18R1.10218 CC(C)(O)CCNC(=O)C=Cc1ccccc1Br 1626a_100000707701_100000719032 [0,2,0,0,0,0|1,0,0]=3 5215 B18R1.10218 CC(C)(O)CCNC(=O)C=Cc1ccccc1Cl 1626a_100000707701_100000720304 [0,2,0,0,0,0|1,0,0]=3 5216 B18R1.10218 CC(C)(O)CCNC(=O)C=Cc1ccccc1F 1626a_100000707701_100016256065 [0,2,0,0,0,0|1,0,0]=3 5217 B18R1.10218 C[N+](C)(C)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100016990835 [0,2,0,0,0,0|2,0,0]=4 5218 B18R1.10218 C[N+](C)(C)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100016990835 [0,2,0,0,0,0|2,0,0]=4 5219 B18R1.10218 C[N+](C)(C)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100016990835 [0,2,0,0,0,0|2,0,0]=4 5220 B18R1.10218 C[N+](C)(C)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100016990835 [0,2,0,0,0,0|2,0,0]=4 5221 B18R1.10218 C[N+](C)(C)CCNC(=O)C=Cc1ccccc1Br 1626a_100000106457_100000719032 [0,2,0,0,0,0|2,0,0]=4 5222 B18R1.10218 C[N+](C)(C)CCNC(=O)C=Cc1ccccc1Br 240690a_100000106457_100000719032 [0,2,0,0,0,0|2,0,0]=4 5223 B18R1.10218 C[N+](C)(C)CCNC(=O)C=Cc1ccccc1Cl 1626a_100000106457_100000720304 [0,2,0,0,0,0|2,0,0]=4 5224 B18R1.10218 C[N+](C)(C)CCNC(=O)C=Cc1ccccc1Cl 240690a_100000106457_100000720304 [0,2,0,0,0,0|2,0,0]=4 5225 B18R1.10218 C[N+](C)(C)CCNC(=O)C=Cc1ccccc1F 1626a_100000106457_100016256065 [0,2,0,0,0,0|2,0,0]=4 5226 B18R1.10218 C[N+](C)(C)CCNC(=O)C=Cc1ccccc1F 240690a_100000106457_100016256065 [0,2,0,0,0,0|2,0,0]=4 5227 B18R1.10218 C[Si](C)(C)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011219597 [0,2,0,0,0,0|1,1,0]=4 5228 B18R1.10218 C[Si](C)(C)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011219597 [0,2,0,0,0,0|1,1,0]=4 5229 B18R1.10218 C[Si](C)(C)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011219597 [0,2,0,0,0,0|1,1,0]=4 5230 B18R1.10218 C[Si](C)(C)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011219597 [0,2,0,0,0,0|1,1,0]=4 5231 B18R1.10218 Cc1ccccc1C=CC(=O)NCCC(C)(C)C 1626a_100000738805_100016266485 [0,2,0,0,0,0|1,0,0]=3 5232 B18R1.10218 Cc1ccccc1C=CC(=O)NCCC(C)(C)F 1626a_100016253952_100016266485 [0,2,0,0,0,0|1,0,0]=3 5233 B18R1.10218 Cc1ccccc1C=CC(=O)NCCC(C)(C)O 1626a_100000707701_100016266485 [0,2,0,0,0,0|1,0,0]=3 5234 B18R1.10218 Cc1ccccc1C=CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100016266485 [0,2,0,0,0,0|2,0,0]=4 5235 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)CCCC(C)C 1458a_100000693296_100011214892 [0,2,0,0,0,0|1,0,0]=3 5236 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)CCCC(C)O 1458a_100000693296_200000718107 [0,2,0,0,0,0|2,0,0]=4 5237 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)CCCN(C)C 1458a_100000693296_100000695564 [0,2,0,0,0,0|2,0,0]=4 5238 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)CCOC(C)C 1458a_100000693296_100000211751 [0,2,0,0,0,0|2,0,0]=4 5239 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)CCSC(C)C 1458a_100000693296_100000730970 [0,2,0,0,0,0|2,0,0]=4 5240 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)NCCC(C)C 11a_100000210545_100000693296 [0,2,0,0,0,0|1,0,0]=3 5241 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)NCCC(C)C 1626a_100000210545_100000693296 [0,2,0,0,0,0|1,0,0]=3 5242 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)NCCC(C)C 240690a_100000210545_100000693296 [0,2,0,0,0,0|1,0,0]=3 5243 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)NCCC(C)C 527a_100000210545_100000693296 [0,2,0,0,0,0|1,0,0]=3 5244 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)NCCC(C)O 240690a_200000755665_100000693296 [0,2,0,0,0,0|2,0,0]=4 5245 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)NCCC(C)O 527a_200000755665_100000693296 [0,2,0,0,0,0|2,0,0]=4 5246 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)NCCN(C)C 240690a_100000210585_100000693296 [0,2,0,0,0,0|2,0,0]=4 5247 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)NCCN(C)C 527a_100000210585_100000693296 [0,2,0,0,0,0|2,0,0]=4 5248 B18R1.13972 CC(=Cc1ccccc1Cl)C(=O)NNCC(C)C 22a_100000696102_100000693296 [0,2,0,0,0,0|2,0,0]=4 5249 B18R1.13972 CC(C)CCCC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_100011214892 [0,2,0,0,0,0|2,0,0]=4 5250 B18R1.13972 CC(C)CCNC(=O)C(=O)Nc1ccccc1Cl 240690a_100000210545_200011297307 [0,2,0,0,0,0|2,0,0]=4 5251 B18R1.13972 CC(C)CCNC(=O)C(=O)Nc1ccccc1F 240690a_100000210545_200011297310 [0,2,0,0,0,0|2,0,0]=4 5252 B18R1.13972 Cc1ccccc1NC(=O)C(=O)CCCC(C)C 1458a_200011297352_100011214892 [0,2,0,0,0,0|2,0,0]=4 5253 B18R1.13972 Cc1ccccc1NC(=O)C(=O)NCCC(C)C 240690a_100000210545_200011297352 [0,2,0,0,0,0|2,0,0]=4 5254 B18R1.13973 CC(C)CC(C)NC(=O)C=Cc1ccccc1Br 11a_100000692259_100000719032 [0,2,0,0,0,0|1,0,0]=3 5255 B18R1.13973 CC(C)CC(C)NC(=O)C=Cc1ccccc1Br 1626a_100000692259_100000719032 [0,2,0,0,0,0|1,0,0]=3 5256 B18R1.13973 CC(C)CC(C)NC(=O)C=Cc1ccccc1Br 240690a_100000692259_100000719032 [0,2,0,0,0,0|1,0,0]=3 5257 B18R1.13973 CC(C)CC(C)NC(=O)C=Cc1ccccc1Cl 11a_100000692259_100000720304 [0,2,0,0,0,0|1,0,0]=3 5258 B18R1.13973 CC(C)CC(C)NC(=O)C=Cc1ccccc1Cl 1626a_100000692259_100000720304 [0,2,0,0,0,0|1,0,0]=3 5259 B18R1.13973 CC(C)CC(C)NC(=O)C=Cc1ccccc1Cl 240690a_100000692259_100000720304 [0,2,0,0,0,0|1,0,0]=3 5260 B18R1.13973 CC(C)CC(C)NC(=O)C=Cc1ccccc1F 11a_100000692259_100016256065 [0,2,0,0,0,0|1,0,0]=3 5261 B18R1.13973 CC(C)CC(C)NC(=O)C=Cc1ccccc1F 1626a_100000692259_100016256065 [0,2,0,0,0,0|1,0,0]=3 5262 B18R1.13973 CC(C)CC(C)NC(=O)C=Cc1ccccc1F 240690a_100000692259_100016256065 [0,2,0,0,0,0|1,0,0]=3 5263 B18R1.13973 CC(CN(C)C)NC(=O)C=Cc1ccccc1Br 11a_100016992788_100000719032 [0,2,0,0,0,0|2,0,0]=4 5264 B18R1.13973 CC(CN(C)C)NC(=O)C=Cc1ccccc1Br 240690a_100016992788_100000719032 [0,2,0,0,0,0|2,0,0]=4 5265 B18R1.13973 CC(CN(C)C)NC(=O)C=Cc1ccccc1Cl 11a_100016992788_100000720304 [0,2,0,0,0,0|2,0,0]=4 5266 B18R1.13973 CC(CN(C)C)NC(=O)C=Cc1ccccc1Cl 240690a_100016992788_100000720304 [0,2,0,0,0,0|2,0,0]=4 5267 B18R1.13973 CC(CN(C)C)NC(=O)C=Cc1ccccc1F 11a_100016992788_100016256065 [0,2,0,0,0,0|2,0,0]=4 5268 B18R1.13973 CC(CN(C)C)NC(=O)C=Cc1ccccc1F 240690a_100016992788_100016256065 [0,2,0,0,0,0|2,0,0]=4 5269 B18R1.13973 Cc1ccccc1C=CC(=O)NC(C)CC(C)C 1626a_100000692259_100016266485 [0,2,0,0,0,0|1,0,0]=3 5270 B18R1.13974 CC(C)C(O)CNC(=O)C=Cc1ccccc1Br 11a_100000759067_100000719032 [0,2,0,0,0,0|1,0,0]=3 5271 B18R1.13974 CC(C)C(O)CNC(=O)C=Cc1ccccc1Br 240690a_100000759067_100000719032 [0,2,0,0,0,0|1,0,0]=3 5272 B18R1.13974 CC(C)C(O)CNC(=O)C=Cc1ccccc1Cl 11a_100000759067_100000720304 [0,2,0,0,0,0|1,0,0]=3 5273 B18R1.13974 CC(C)C(O)CNC(=O)C=Cc1ccccc1Cl 240690a_100000759067_100000720304 [0,2,0,0,0,0|1,0,0]=3 5274 B18R1.13974 CC(C)C(O)CNC(=O)C=Cc1ccccc1F 11a_100000759067_100016256065 [0,2,0,0,0,0|1,0,0]=3 5275 B18R1.13974 CC(C)C(O)CNC(=O)C=Cc1ccccc1F 240690a_100000759067_100016256065 [0,2,0,0,0,0|1,0,0]=3 5276 B18R1.17759 CC(C)CCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100011214892 [0,2,0,0,0,0|1,0,0]=3 5277 B18R1.17759 CC(C)CCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100011214892 [0,2,0,0,0,0|1,0,0]=3 5278 B18R1.17759 CC(C)CCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100011214892 [0,2,0,0,0,0|1,0,0]=3 5279 B18R1.17759 CC(C)CCCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100000753411 [0,2,0,0,0,0|1,0,0]=3 5280 B18R1.17759 CC(C)CCCC(=O)C=Cc1c(cncc1Br)Cl 6a_100010064873_100000753411 [0,2,0,0,0,0|2,0,0]=4 5281 B18R1.17759 CC(C)CCCC(=O)C=Cc1c(cncc1Br)F 6a_100010064882_100000753411 [0,2,0,0,0,0|2,0,0]=4 5282 B18R1.17759 CC(C)CCCC(=O)C=Cc1c(cncc1Cl)Cl 6a_100000067493_100000753411 [0,2,0,0,0,0|2,0,0]=4 5283 B18R1.17759 CC(C)CCCC(=O)C=Cc1c(cncc1F)F 6a_100000068831_100000753411 [0,2,0,0,0,0|2,0,0]=4 5284 B18R1.17759 CC(C)CCNC(=O)C=Cc1c(cccc1Cl)Cl 11a_100000210545_100000185082 [0,2,0,0,0,0|1,0,0]=3 5285 B18R1.17759 CC(C)CCNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100000210545_100000185082 [0,2,0,0,0,0|1,0,0]=3 5286 B18R1.17759 CC(C)CCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100000210545_100000185082 [0,2,0,0,0,0|1,0,0]=3 5287 B18R1.17759 CC(C)CCNC(=O)C=Cc1c(cccc1Cl)F 11a_100000210545_100016278423 [0,2,0,0,0,0|1,0,0]=3 5288 B18R1.17759 CC(C)CCNC(=O)C=Cc1c(cccc1Cl)F 1626a_100000210545_100016278423 [0,2,0,0,0,0|1,0,0]=3 5289 B18R1.17759 CC(C)CCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100000210545_100016278423 [0,2,0,0,0,0|1,0,0]=3 5290 B18R1.17759 CC(C)CCNC(=O)C=Cc1c(cccc1F)F 11a_100000210545_100000738813 [0,2,0,0,0,0|1,0,0]=3 5291 B18R1.17759 CC(C)CCNC(=O)C=Cc1c(cccc1F)F 1626a_100000210545_100000738813 [0,2,0,0,0,0|1,0,0]=3 5292 B18R1.17759 CC(C)CCNC(=O)C=Cc1c(cccc1F)F 240690a_100000210545_100000738813 [0,2,0,0,0,0|1,0,0]=3 5293 B18R1.17759 CC(C)CNNC(=O)C=Cc1c(cccc1Cl)Cl 22a_100000696102_100000185082 [0,2,0,0,0,0|2,0,0]=4 5294 B18R1.17759 CC(C)CNNC(=O)C=Cc1c(cccc1Cl)F 22a_100000696102_100016278423 [0,2,0,0,0,0|2,0,0]=4 5295 B18R1.17759 CC(C)CNNC(=O)C=Cc1c(cccc1F)F 22a_100000696102_100000738813 [0,2,0,0,0,0|2,0,0]=4 5296 B18R1.17759 CC(C)OCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000211751 [0,2,0,0,0,0|2,0,0]=4 5297 B18R1.17759 CC(C)OCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000211751 [0,2,0,0,0,0|2,0,0]=4 5298 B18R1.17759 CC(C)OCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000211751 [0,2,0,0,0,0|2,0,0]=4 5299 B18R1.17759 CC(C)OCCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_200011219172 [0,2,0,0,0,0|2,0,0]=4 5300 B18R1.17759 CC(C)SCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000730970 [0,2,0,0,0,0|2,0,0]=4 5301 B18R1.17759 CC(C)SCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000730970 [0,2,0,0,0,0|2,0,0]=4 5302 B18R1.17759 CC(C)SCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000730970 [0,2,0,0,0,0|2,0,0]=4 5303 B18R1.17759 CC(O)CCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200000718107 [0,2,0,0,0,0|2,0,0]=4 5304 B18R1.17759 CC(O)CCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200000718107 [0,2,0,0,0,0|2,0,0]=4 5305 B18R1.17759 CC(O)CCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200000718107 [0,2,0,0,0,0|2,0,0]=4 5306 B18R1.17759 CC(O)CCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_200000755665_100000185082 [0,2,0,0,0,0|2,0,0]=4 5307 B18R1.17759 CC(O)CCNC(=O)C=Cc1c(cccc1Cl)F 240690a_200000755665_100016278423 [0,2,0,0,0,0|2,0,0]=4 5308 B18R1.17759 CC(O)CCNC(=O)C=Cc1c(cccc1F)F 240690a_200000755665_100000738813 [0,2,0,0,0,0|2,0,0]=4 5309 B18R1.17759 CN(C)CCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000695564 [0,2,0,0,0,0|2,0,0]=4 5310 B18R1.17759 CN(C)CCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000695564 [0,2,0,0,0,0|2,0,0]=4 5311 B18R1.17759 CN(C)CCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000695564 [0,2,0,0,0,0|2,0,0]=4 5312 B18R1.17759 CN(C)CCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100000210585_100000185082 [0,2,0,0,0,0|2,0,0]=4 5313 B18R1.17759 CN(C)CCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100000210585_100016278423 [0,2,0,0,0,0|2,0,0]=4 5314 B18R1.17759 CN(C)CCNC(=O)C=Cc1c(cccc1F)F 240690a_100000210585_100000738813 [0,2,0,0,0,0|2,0,0]=4 5315 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100011214892 [0,2,0,0,0,0|1,0,0]=3 5316 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100000753411 [0,2,0,0,0,0|1,0,0]=3 5317 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100011214892 [0,2,0,0,0,0|1,0,0]=3 5318 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100000753411 [0,2,0,0,0,0|1,0,0]=3 5319 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100011214892 [0,2,0,0,0,0|1,0,0]=3 5320 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100000753411 [0,2,0,0,0,0|1,0,0]=3 5321 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100000753411 [0,2,0,0,0,0|1,0,0]=3 5322 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100011214892 [0,2,0,0,0,0|1,0,0]=3 5323 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100000753411 [0,2,0,0,0,0|1,0,0]=3 5324 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100000753411 [0,2,0,0,0,0|1,0,0]=3 5325 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100000753411 [0,2,0,0,0,0|1,0,0]=3 5326 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100000753411 [0,2,0,0,0,0|1,0,0]=3 5327 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100000753411 [0,2,0,0,0,0|1,0,0]=3 5328 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100000753411 [0,2,0,0,0,0|1,0,0]=3 5329 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100000753411 [0,2,0,0,0,0|1,0,0]=3 5330 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ncc1Br)I 6a_200135154921_100000753411 [0,2,0,0,0,0|2,0,0]=4 5331 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ncc1F)Br 6a_100000707870_100000753411 [0,2,0,0,0,0|2,0,0]=4 5332 B18R1.162191 CC(C)CCCC(=O)C=Cc1cc(ncc1F)F 6a_100000731253_100000753411 [0,2,0,0,0,0|2,0,0]=4 5333 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1Br)F 11a_100000210545_100102525183 [0,2,0,0,0,0|1,0,0]=3 5334 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1Br)F 1626a_100000210545_100102525183 [0,2,0,0,0,0|1,0,0]=3 5335 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100000210545_100102525183 [0,2,0,0,0,0|1,0,0]=3 5336 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100000210545_200159324452 [0,2,0,0,0,0|1,0,0]=3 5337 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_100000210545_100000234794 [0,2,0,0,0,0|1,0,0]=3 5338 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100000210545_100000234794 [0,2,0,0,0,0|1,0,0]=3 5339 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100000210545_100000234794 [0,2,0,0,0,0|1,0,0]=3 5340 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1F)Br 11a_100000210545_100000718207 [0,2,0,0,0,0|1,0,0]=3 5341 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1F)Br 1626a_100000210545_100000718207 [0,2,0,0,0,0|1,0,0]=3 5342 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100000210545_100000718207 [0,2,0,0,0,0|1,0,0]=3 5343 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1F)F 11a_100000210545_100000744626 [0,2,0,0,0,0|1,0,0]=3 5344 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1F)F 1626a_100000210545_100000744626 [0,2,0,0,0,0|1,0,0]=3 5345 B18R1.162191 CC(C)CCNC(=O)C=Cc1cc(ccc1F)F 240690a_100000210545_100000744626 [0,2,0,0,0,0|1,0,0]=3 5346 B18R1.162191 CC(C)CNNC(=O)C=Cc1cc(ccc1Br)F 22a_100000696102_100102525183 [0,2,0,0,0,0|2,0,0]=4 5347 B18R1.162191 CC(C)CNNC(=O)C=Cc1cc(ccc1Br)O 22a_100000696102_200159324452 [0,2,0,0,0,0|2,0,0]=4 5348 B18R1.162191 CC(C)CNNC(=O)C=Cc1cc(ccc1Cl)Cl 22a_100000696102_100000234794 [0,2,0,0,0,0|2,0,0]=4 5349 B18R1.162191 CC(C)CNNC(=O)C=Cc1cc(ccc1F)Br 22a_100000696102_100000718207 [0,2,0,0,0,0|2,0,0]=4 5350 B18R1.162191 CC(C)CNNC(=O)C=Cc1cc(ccc1F)F 22a_100000696102_100000744626 [0,2,0,0,0,0|2,0,0]=4 5351 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000211751 [0,2,0,0,0,0|2,0,0]=4 5352 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_200011219172 [0,2,0,0,0,0|2,0,0]=4 5353 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000211751 [0,2,0,0,0,0|2,0,0]=4 5354 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_200011219172 [0,2,0,0,0,0|2,0,0]=4 5355 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000211751 [0,2,0,0,0,0|2,0,0]=4 5356 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_200011219172 [0,2,0,0,0,0|2,0,0]=4 5357 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_200011219172 [0,2,0,0,0,0|2,0,0]=4 5358 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000211751 [0,2,0,0,0,0|2,0,0]=4 5359 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_200011219172 [0,2,0,0,0,0|2,0,0]=4 5360 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_200011219172 [0,2,0,0,0,0|2,0,0]=4 5361 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_200011219172 [0,2,0,0,0,0|2,0,0]=4 5362 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_200011219172 [0,2,0,0,0,0|2,0,0]=4 5363 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_200011219172 [0,2,0,0,0,0|2,0,0]=4 5364 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_200011219172 [0,2,0,0,0,0|2,0,0]=4 5365 B18R1.162191 CC(C)OCCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_200011219172 [0,2,0,0,0,0|2,0,0]=4 5366 B18R1.162191 CC(C)SCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000730970 [0,2,0,0,0,0|2,0,0]=4 5367 B18R1.162191 CC(C)SCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000730970 [0,2,0,0,0,0|2,0,0]=4 5368 B18R1.162191 CC(C)SCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000730970 [0,2,0,0,0,0|2,0,0]=4 5369 B18R1.162191 CC(C)SCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000730970 [0,2,0,0,0,0|2,0,0]=4 5370 B18R1.162191 CC(O)CCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200000718107 [0,2,0,0,0,0|2,0,0]=4 5371 B18R1.162191 CC(O)CCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200000718107 [0,2,0,0,0,0|2,0,0]=4 5372 B18R1.162191 CC(O)CCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200000718107 [0,2,0,0,0,0|2,0,0]=4 5373 B18R1.162191 CC(O)CCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200000718107 [0,2,0,0,0,0|2,0,0]=4 5374 B18R1.162191 CC(O)CCNC(=O)C=Cc1cc(ccc1Br)F 240690a_200000755665_100102525183 [0,2,0,0,0,0|2,0,0]=4 5375 B18R1.162191 CC(O)CCNC(=O)C=Cc1cc(ccc1Br)O 240690a_200000755665_200159324452 [0,2,0,0,0,0|2,0,0]=4 5376 B18R1.162191 CC(O)CCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_200000755665_100000234794 [0,2,0,0,0,0|2,0,0]=4 5377 B18R1.162191 CC(O)CCNC(=O)C=Cc1cc(ccc1F)Br 240690a_200000755665_100000718207 [0,2,0,0,0,0|2,0,0]=4 5378 B18R1.162191 CC(O)CCNC(=O)C=Cc1cc(ccc1F)F 240690a_200000755665_100000744626 [0,2,0,0,0,0|2,0,0]=4 5379 B18R1.162191 CN(C)CCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000695564 [0,2,0,0,0,0|2,0,0]=4 5380 B18R1.162191 CN(C)CCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000695564 [0,2,0,0,0,0|2,0,0]=4 5381 B18R1.162191 CN(C)CCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000695564 [0,2,0,0,0,0|2,0,0]=4 5382 B18R1.162191 CN(C)CCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000695564 [0,2,0,0,0,0|2,0,0]=4 5383 B18R1.162191 CN(C)CCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100000210585_100102525183 [0,2,0,0,0,0|2,0,0]=4 5384 B18R1.162191 CN(C)CCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100000210585_200159324452 [0,2,0,0,0,0|2,0,0]=4 5385 B18R1.162191 CN(C)CCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100000210585_100000234794 [0,2,0,0,0,0|2,0,0]=4 5386 B18R1.162191 CN(C)CCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100000210585_100000718207 [0,2,0,0,0,0|2,0,0]=4 5387 B18R1.162191 CN(C)CCNC(=O)C=Cc1cc(ccc1F)F 240690a_100000210585_100000744626 [0,2,0,0,0,0|2,0,0]=4 5388 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)CCCC(C)C)F 1458a_100102526132_100011214892 [0,2,0,0,0,0|1,0,0]=3 5389 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)CCCC(C)C)F 6a_100000756917_100000753411 [0,2,0,0,0,0|1,0,0]=3 5390 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)CCCC(C)C)I 6a_100010150105_100000753411 [0,2,0,0,0,0|1,0,0]=3 5391 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)CCCC(C)O)F 1458a_100102526132_200000718107 [0,2,0,0,0,0|2,0,0]=4 5392 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)CCCN(C)C)F 1458a_100102526132_100000695564 [0,2,0,0,0,0|2,0,0]=4 5393 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)CCOC(C)C)F 1458a_100102526132_100000211751 [0,2,0,0,0,0|2,0,0]=4 5394 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)CCOC(C)C)F 6a_100000756917_200011219172 [0,2,0,0,0,0|2,0,0]=4 5395 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)CCOC(C)C)I 6a_100010150105_200011219172 [0,2,0,0,0,0|2,0,0]=4 5396 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)CCSC(C)C)F 1458a_100102526132_100000730970 [0,2,0,0,0,0|2,0,0]=4 5397 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)NCCC(C)C)C 1626a_100000210545_200016256798 [0,2,0,0,0,0|1,0,0]=3 5398 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)NCCC(C)C)F 11a_100000210545_100102526132 [0,2,0,0,0,0|1,0,0]=3 5399 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)NCCC(C)C)F 1626a_100000210545_100102526132 [0,2,0,0,0,0|1,0,0]=3 5400 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)NCCC(C)C)F 240690a_100000210545_100102526132 [0,2,0,0,0,0|1,0,0]=3 5401 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)NCCC(C)O)F 240690a_200000755665_100102526132 [0,2,0,0,0,0|2,0,0]=4 5402 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)NCCN(C)C)F 240690a_100000210585_100102526132 [0,2,0,0,0,0|2,0,0]=4 5403 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)NNCC(C)C)C 22a_100000696102_200016256798 [0,2,0,0,0,0|2,0,0]=4 5404 B18R1.162191 Cc1ccc(c(c1)C=CC(=O)NNCC(C)C)F 22a_100000696102_100102526132 [0,2,0,0,0,0|2,0,0]=4 5405 B18R1.162191 Cc1ccc(cc1C=CC(=O)NCCC(C)C)F 11a_100000210545_100102526137 [0,2,0,0,0,0|1,0,0]=3 5406 B18R1.162191 Cc1ccc(cc1C=CC(=O)NCCC(C)C)F 1626a_100000210545_100102526137 [0,2,0,0,0,0|1,0,0]=3 5407 B18R1.162191 Cc1ccc(cc1C=CC(=O)NNCC(C)C)F 22a_100000696102_100102526137 [0,2,0,0,0,0|2,0,0]=4 5408 B18R1.4463 C/C(=C\c1ccccc1)/C(=O)NCC(O)C(C)C 11a_100000759067_100016990649 [0,2,0,0,0,0|1,0,0]=3 5409 B18R1.4463 C/C(=C\c1ccccc1)/C(=O)NCC(O)C(C)C 527a_100000759067_100016990649 [0,2,0,0,0,0|1,0,0]=3 5410 B18R1.4463 C/C(=C\c1ccccn1)/C(=O)NCC(O)C(C)C 11a_100000759067_100025712827 [0,2,0,0,0,0|2,0,0]=4 5411 B18R1.4463 C/C(=C\c1ccccn1)/C(=O)NCC(O)C(C)C 527a_100000759067_100025712827 [0,2,0,0,0,0|2,0,0]=4 5412 B18R1.4463 C=C(Cc1ccccc1)C(=O)NCC(O)C(C)C 11a_100000759067_100000066491 [0,2,0,0,0,0|1,0,1]=4 5413 B18R1.4463 CC(C)C(O)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000759067_200020598536 [0,2,0,0,0,0|1,0,0]=3 5414 B18R1.4463 CC(C)C(O)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000759067_200020598536 [0,2,0,0,0,0|1,0,0]=3 5415 B18R1.4463 CC(C)C(O)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000759067_200020598536 [0,2,0,0,0,0|1,0,0]=3 5416 B18R1.4463 CC(C)C(O)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000759067_100020889036 [0,2,0,0,0,0|1,0,0]=3 5417 B18R1.4463 CC(C)C(O)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000759067_100020889036 [0,2,0,0,0,0|1,0,0]=3 5418 B18R1.4463 CC(C)C(O)CNC(=O)C(=Cc1cccnc1)F 11a_100000759067_100000731744 [0,2,0,0,0,0|2,0,0]=4 5419 B18R1.4463 CC(C)C(O)CNC(=O)C(=Cc1cccnc1)F 240690a_100000759067_100000731744 [0,2,0,0,0,0|2,0,0]=4 5420 B18R1.4463 CC(C)C(O)CNC(=O)C(=Cc1cccnc1)F 527a_100000759067_100000731744 [0,2,0,0,0,0|2,0,0]=4 5421 B18R1.4463 CC(C)C(O)CNC(=O)C(=O)Nc1ccccc1 240690a_100000759067_100000738435 [0,2,0,0,0,0|2,0,0]=4 5422 B18R1.9332 C/C(=C\c1ccccc1)/C(=O)NC(C)CC(C)C 11a_100000692259_100016990649 [0,2,0,0,0,0|1,0,0]=3 5423 B18R1.9332 C/C(=C\c1ccccc1)/C(=O)NC(C)CC(C)C 1626a_100000692259_100016990649 [0,2,0,0,0,0|1,0,0]=3 5424 B18R1.9332 C/C(=C\c1ccccc1)/C(=O)NC(C)CC(C)C 527a_100000692259_100016990649 [0,2,0,0,0,0|1,0,0]=3 5425 B18R1.9332 C/C(=C\c1ccccc1)/C(=O)NC(C)CN(C)C 11a_100016992788_100016990649 [0,2,0,0,0,0|2,0,0]=4 5426 B18R1.9332 C/C(=C\c1ccccc1)/C(=O)NC(C)CN(C)C 527a_100016992788_100016990649 [0,2,0,0,0,0|2,0,0]=4 5427 B18R1.9332 C/C(=C\c1ccccn1)/C(=O)NC(C)CC(C)C 11a_100000692259_100025712827 [0,2,0,0,0,0|2,0,0]=4 5428 B18R1.9332 C/C(=C\c1ccccn1)/C(=O)NC(C)CC(C)C 1626a_100000692259_100025712827 [0,2,0,0,0,0|2,0,0]=4 5429 B18R1.9332 C/C(=C\c1ccccn1)/C(=O)NC(C)CC(C)C 527a_100000692259_100025712827 [0,2,0,0,0,0|2,0,0]=4 5430 B18R1.9332 C=C(Cc1ccccc1)C(=O)NC(C)CC(C)C 11a_100000692259_100000066491 [0,2,0,0,0,0|1,0,1]=4 5431 B18R1.9332 C=C(Cc1ccccc1)C(=O)NC(C)CC(C)C 1626a_100000692259_100000066491 [0,2,0,0,0,0|1,0,1]=4 5432 B18R1.9332 CC(C)CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100000692259_200020598536 [0,2,0,0,0,0|1,0,0]=3 5433 B18R1.9332 CC(C)CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000692259_200020598536 [0,2,0,0,0,0|1,0,0]=3 5434 B18R1.9332 CC(C)CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000692259_200020598536 [0,2,0,0,0,0|1,0,0]=3 5435 B18R1.9332 CC(C)CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100000692259_200020598536 [0,2,0,0,0,0|1,0,0]=3 5436 B18R1.9332 CC(C)CC(C)NC(=O)/C(=C\c1ccccc1)/F 11a_100000692259_100020889036 [0,2,0,0,0,0|1,0,0]=3 5437 B18R1.9332 CC(C)CC(C)NC(=O)/C(=C\c1ccccc1)/F 527a_100000692259_100020889036 [0,2,0,0,0,0|1,0,0]=3 5438 B18R1.9332 CC(C)CC(C)NC(=O)C(=Cc1cccnc1)F 11a_100000692259_100000731744 [0,2,0,0,0,0|2,0,0]=4 5439 B18R1.9332 CC(C)CC(C)NC(=O)C(=Cc1cccnc1)F 240690a_100000692259_100000731744 [0,2,0,0,0,0|2,0,0]=4 5440 B18R1.9332 CC(C)CC(C)NC(=O)C(=Cc1cccnc1)F 527a_100000692259_100000731744 [0,2,0,0,0,0|2,0,0]=4 5441 B18R1.9332 CC(C)CC(C)NC(=O)C(=O)Nc1ccccc1 240690a_100000692259_100000738435 [0,2,0,0,0,0|2,0,0]=4 5442 B18R1.9332 CC(CN(C)C)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100016992788_200020598536 [0,2,0,0,0,0|2,0,0]=4 5443 B18R1.9332 CC(CN(C)C)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100016992788_200020598536 [0,2,0,0,0,0|2,0,0]=4 5444 B18R1.9332 CC(CN(C)C)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100016992788_200020598536 [0,2,0,0,0,0|2,0,0]=4 5445 B18R1.9332 CC(CN(C)C)NC(=O)/C(=C\c1ccccc1)/F 11a_100016992788_100020889036 [0,2,0,0,0,0|2,0,0]=4 5446 B18R1.9332 CC(CN(C)C)NC(=O)/C(=C\c1ccccc1)/F 527a_100016992788_100020889036 [0,2,0,0,0,0|2,0,0]=4 5447 B18R1.9960 CC(C)CCCC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_100011214892 [0,2,0,0,0,0|2,0,0]=4 5448 B18R1.9960 CC(C)CCCC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_100011214892 [0,2,0,0,0,0|2,0,0]=4 5449 B18R1.9960 CC(C)CCNC(=O)C(=O)Nc1cccc(c1)Cl 240690a_100000210545_200011297299 [0,2,0,0,0,0|2,0,0]=4 5450 B18R1.9960 CC(C)CCNC(=O)C(=O)Nc1cccc(c1)F 240690a_100000210545_200011297300 [0,2,0,0,0,0|2,0,0]=4 5451 B18R1.26486 CC(C)CCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100011214892 [0,2,0,0,0,0|1,0,0]=3 5452 B18R1.26486 CC(C)CCNC(=O)C(=Cc1ccccc1)C#N 527a_100000210545_100000162679 [0,2,0,0,0,0|1,0,0]=3 5453 B18R1.26486 CC(C)CNNC(=O)C(=Cc1ccccc1)C#N 22a_100000696102_100000162679 [0,2,0,0,0,0|2,0,0]=4 5454 B18R1.26486 CC(C)OCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000211751 [0,2,0,0,0,0|2,0,0]=4 5455 B18R1.26486 CC(C)SCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000730970 [0,2,0,0,0,0|2,0,0]=4 5456 B18R1.26486 CC(O)CCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000718107 [0,2,0,0,0,0|2,0,0]=4 5457 B18R1.26486 CC(O)CCNC(=O)C(=Cc1ccccc1)C#N 527a_200000755665_100000162679 [0,2,0,0,0,0|2,0,0]=4 5458 B18R1.26486 CN(C)CCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000695564 [0,2,0,0,0,0|2,0,0]=4 5459 B18R1.26486 CN(C)CCNC(=O)C(=Cc1ccccc1)C#N 527a_100000210585_100000162679 [0,2,0,0,0,0|2,0,0]=4 5460 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)CCC[N+](C)(C)C 1458a_100016990649_100016990835 [0,2,0,0,0,0|2,0,0]=4 5461 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)CCC[Si](C)(C)C 1458a_100016990649_100011219597 [0,2,0,0,0,0|1,1,0]=4 5462 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCCC(C)(C)C 11a_100000738805_100016990649 [0,2,0,0,0,0|1,0,0]=3 5463 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCCC(C)(C)C 1626a_100000738805_100016990649 [0,2,0,0,0,0|1,0,0]=3 5464 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCCC(C)(C)C 527a_100000738805_100016990649 [0,2,0,0,0,0|1,0,0]=3 5465 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCCC(C)(C)F 11a_100016253952_100016990649 [0,2,0,0,0,0|1,0,0]=3 5466 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCCC(C)(C)F 1626a_100016253952_100016990649 [0,2,0,0,0,0|1,0,0]=3 5467 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCCC(C)(C)F 527a_100016253952_100016990649 [0,2,0,0,0,0|1,0,0]=3 5468 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCCC(C)(C)O 1626a_100000707701_100016990649 [0,2,0,0,0,0|1,0,0]=3 5469 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCCC(C)(C)O 527a_100000707701_100016990649 [0,2,0,0,0,0|1,0,0]=3 5470 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCC[N+](C)(C)C 1626a_100000106457_100016990649 [0,2,0,0,0,0|2,0,0]=4 5471 B18R1.59975 C/C(=C\c1ccccc1)/C(=O)NCC[N+](C)(C)C 527a_100000106457_100016990649 [0,2,0,0,0,0|2,0,0]=4 5472 B18R1.59975 C/C(=C\c1ccccn1)/C(=O)NCCC(C)(C)C 11a_100000738805_100025712827 [0,2,0,0,0,0|2,0,0]=4 5473 B18R1.59975 C/C(=C\c1ccccn1)/C(=O)NCCC(C)(C)C 1626a_100000738805_100025712827 [0,2,0,0,0,0|2,0,0]=4 5474 B18R1.59975 C/C(=C\c1ccccn1)/C(=O)NCCC(C)(C)C 527a_100000738805_100025712827 [0,2,0,0,0,0|2,0,0]=4 5475 B18R1.59975 C/C(=C\c1ccccn1)/C(=O)NCCC(C)(C)F 11a_100016253952_100025712827 [0,2,0,0,0,0|2,0,0]=4 5476 B18R1.59975 C/C(=C\c1ccccn1)/C(=O)NCCC(C)(C)F 1626a_100016253952_100025712827 [0,2,0,0,0,0|2,0,0]=4 5477 B18R1.59975 C/C(=C\c1ccccn1)/C(=O)NCCC(C)(C)F 527a_100016253952_100025712827 [0,2,0,0,0,0|2,0,0]=4 5478 B18R1.59975 C/C(=C\c1ccccn1)/C(=O)NCCC(C)(C)O 1626a_100000707701_100025712827 [0,2,0,0,0,0|2,0,0]=4 5479 B18R1.59975 C/C(=C\c1ccccn1)/C(=O)NCCC(C)(C)O 527a_100000707701_100025712827 [0,2,0,0,0,0|2,0,0]=4 5480 B18R1.59975 C=C(Cc1ccccc1)C(=O)NCCC(C)(C)C 11a_100000738805_100000066491 [0,2,0,0,0,0|1,0,1]=4 5481 B18R1.59975 C=C(Cc1ccccc1)C(=O)NCCC(C)(C)C 1626a_100000738805_100000066491 [0,2,0,0,0,0|1,0,1]=4 5482 B18R1.59975 C=C(Cc1ccccc1)C(=O)NCCC(C)(C)F 11a_100016253952_100000066491 [0,2,0,0,0,0|1,0,1]=4 5483 B18R1.59975 C=C(Cc1ccccc1)C(=O)NCCC(C)(C)F 1626a_100016253952_100000066491 [0,2,0,0,0,0|1,0,1]=4 5484 B18R1.59975 C=C(Cc1ccccc1)C(=O)NCCC(C)(C)O 1626a_100000707701_100000066491 [0,2,0,0,0,0|1,0,1]=4 5485 B18R1.59975 CC(C)(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000738805_200020598536 [0,2,0,0,0,0|1,0,0]=3 5486 B18R1.59975 CC(C)(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000738805_200020598536 [0,2,0,0,0,0|1,0,0]=3 5487 B18R1.59975 CC(C)(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000738805_200020598536 [0,2,0,0,0,0|1,0,0]=3 5488 B18R1.59975 CC(C)(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000738805_200020598536 [0,2,0,0,0,0|1,0,0]=3 5489 B18R1.59975 CC(C)(C)CCNC(=O)/C(=C\c1ccccc1)/F 11a_100000738805_100020889036 [0,2,0,0,0,0|1,0,0]=3 5490 B18R1.59975 CC(C)(C)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000738805_100020889036 [0,2,0,0,0,0|1,0,0]=3 5491 B18R1.59975 CC(C)(C)CCNC(=O)C(=Cc1cccnc1)F 11a_100000738805_100000731744 [0,2,0,0,0,0|2,0,0]=4 5492 B18R1.59975 CC(C)(C)CCNC(=O)C(=Cc1cccnc1)F 240690a_100000738805_100000731744 [0,2,0,0,0,0|2,0,0]=4 5493 B18R1.59975 CC(C)(C)CCNC(=O)C(=Cc1cccnc1)F 527a_100000738805_100000731744 [0,2,0,0,0,0|2,0,0]=4 5494 B18R1.59975 CC(C)(C)CCNC(=O)C(=O)Nc1ccccc1 240690a_100000738805_100000738435 [0,2,0,0,0,0|2,0,0]=4 5495 B18R1.59975 CC(C)(F)CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100016253952_200020598536 [0,2,0,0,0,0|1,0,0]=3 5496 B18R1.59975 CC(C)(F)CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100016253952_200020598536 [0,2,0,0,0,0|1,0,0]=3 5497 B18R1.59975 CC(C)(F)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100016253952_200020598536 [0,2,0,0,0,0|1,0,0]=3 5498 B18R1.59975 CC(C)(F)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100016253952_200020598536 [0,2,0,0,0,0|1,0,0]=3 5499 B18R1.59975 CC(C)(F)CCNC(=O)/C(=C\c1ccccc1)/F 11a_100016253952_100020889036 [0,2,0,0,0,0|1,0,0]=3 5500 B18R1.59975 CC(C)(F)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100016253952_100020889036 [0,2,0,0,0,0|1,0,0]=3 5501 B18R1.59975 CC(C)(F)CCNC(=O)C(=Cc1cccnc1)F 11a_100016253952_100000731744 [0,2,0,0,0,0|2,0,0]=4 5502 B18R1.59975 CC(C)(F)CCNC(=O)C(=Cc1cccnc1)F 240690a_100016253952_100000731744 [0,2,0,0,0,0|2,0,0]=4 5503 B18R1.59975 CC(C)(F)CCNC(=O)C(=Cc1cccnc1)F 527a_100016253952_100000731744 [0,2,0,0,0,0|2,0,0]=4 5504 B18R1.59975 CC(C)(F)CCNC(=O)C(=O)Nc1ccccc1 240690a_100016253952_100000738435 [0,2,0,0,0,0|2,0,0]=4 5505 B18R1.59975 CC(C)(O)CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000707701_200020598536 [0,2,0,0,0,0|1,0,0]=3 5506 B18R1.59975 CC(C)(O)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000707701_200020598536 [0,2,0,0,0,0|1,0,0]=3 5507 B18R1.59975 CC(C)(O)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000707701_100020889036 [0,2,0,0,0,0|1,0,0]=3 5508 B18R1.59975 CC(C)(O)CCNC(=O)C(=Cc1cccnc1)F 527a_100000707701_100000731744 [0,2,0,0,0,0|2,0,0]=4 5509 B18R1.59975 C[N+](C)(C)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100016990835 [0,2,0,0,0,0|2,0,0]=4 5510 B18R1.59975 C[N+](C)(C)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100016990835 [0,2,0,0,0,0|2,0,0]=4 5511 B18R1.59975 C[N+](C)(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000106457_200020598536 [0,2,0,0,0,0|2,0,0]=4 5512 B18R1.59975 C[N+](C)(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000106457_200020598536 [0,2,0,0,0,0|2,0,0]=4 5513 B18R1.59975 C[N+](C)(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000106457_200020598536 [0,2,0,0,0,0|2,0,0]=4 5514 B18R1.59975 C[N+](C)(C)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000106457_100020889036 [0,2,0,0,0,0|2,0,0]=4 5515 B18R1.59975 C[Si](C)(C)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011219597 [0,2,0,0,0,0|1,1,0]=4 5516 B18R1.59975 C[Si](C)(C)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011219597 [0,2,0,0,0,0|1,1,0]=4 5517 B18R1.9967 CC(C)CC(C)CC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000698951 [0,2,0,0,0,0|1,0,0]=3 5518 B18R1.9967 CC(C)CC(C)CC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000698951 [0,2,0,0,0,0|1,0,0]=3 5519 B18R1.9967 CC(C)CC(C)CC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000698951 [0,2,0,0,0,0|1,0,0]=3 5520 B18R1.9967 CC(C)CC(C)CC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000698951 [0,2,0,0,0,0|2,0,0]=4 5521 B18R1.9967 CC(C)CC(C)CC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000698951 [0,2,0,0,0,0|2,0,0]=4 5522 B18R1.9967 CC(C)CC(C)CC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000698951 [0,2,0,0,0,0|2,0,0]=4 5523 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)Br 11a_100000692259_100016258244 [0,2,0,0,0,0|1,0,0]=3 5524 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)Br 1626a_100000692259_100016258244 [0,2,0,0,0,0|1,0,0]=3 5525 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)Br 240690a_100000692259_100016258244 [0,2,0,0,0,0|1,0,0]=3 5526 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)Cl 11a_100000692259_100000184502 [0,2,0,0,0,0|1,0,0]=3 5527 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)Cl 1626a_100000692259_100000184502 [0,2,0,0,0,0|1,0,0]=3 5528 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)Cl 240690a_100000692259_100000184502 [0,2,0,0,0,0|1,0,0]=3 5529 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)F 11a_100000692259_100000718793 [0,2,0,0,0,0|1,0,0]=3 5530 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)F 1626a_100000692259_100000718793 [0,2,0,0,0,0|1,0,0]=3 5531 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)F 240690a_100000692259_100000718793 [0,2,0,0,0,0|1,0,0]=3 5532 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)I 11a_100000692259_100020647043 [0,2,0,0,0,0|1,0,0]=3 5533 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)I 1626a_100000692259_100020647043 [0,2,0,0,0,0|1,0,0]=3 5534 B18R1.9967 CC(C)CC(C)NC(=O)C=Cc1cccc(c1)I 240690a_100000692259_100020647043 [0,2,0,0,0,0|1,0,0]=3 5535 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)Br 11a_100016992788_100016258244 [0,2,0,0,0,0|2,0,0]=4 5536 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)Br 240690a_100016992788_100016258244 [0,2,0,0,0,0|2,0,0]=4 5537 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)Cl 11a_100016992788_100000184502 [0,2,0,0,0,0|2,0,0]=4 5538 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)Cl 240690a_100016992788_100000184502 [0,2,0,0,0,0|2,0,0]=4 5539 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)F 11a_100016992788_100000718793 [0,2,0,0,0,0|2,0,0]=4 5540 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)F 240690a_100016992788_100000718793 [0,2,0,0,0,0|2,0,0]=4 5541 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)I 11a_100016992788_100020647043 [0,2,0,0,0,0|2,0,0]=4 5542 B18R1.9967 CC(CN(C)C)NC(=O)C=Cc1cccc(c1)I 240690a_100016992788_100020647043 [0,2,0,0,0,0|2,0,0]=4 5543 B18R1.9967 Cc1cccc(c1)C=CC(=O)NC(C)CC(C)C 11a_100000692259_100000690095 [0,2,0,0,0,0|1,0,0]=3 5544 B18R1.9967 Cc1cccc(c1)C=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000690095 [0,2,0,0,0,0|1,0,0]=3 5545 B18R1.9967 Cc1cccc(c1)C=CC(=O)NC(C)CC(C)C 240690a_100000692259_100000690095 [0,2,0,0,0,0|1,0,0]=3 5546 B18R1.9967 Cc1cccc(c1)C=CC(=O)NC(C)CN(C)C 11a_100016992788_100000690095 [0,2,0,0,0,0|2,0,0]=4 5547 B18R1.9967 Cc1cccc(c1)C=CC(=O)NC(C)CN(C)C 240690a_100016992788_100000690095 [0,2,0,0,0,0|2,0,0]=4 5548 B18R1.9967 Cc1cncc(c1)C=CC(=O)CC(C)CC(C)C 6a_100011998712_100000698951 [0,2,0,0,0,0|2,0,0]=4 5549 B18R1.9968 CC(C)C(O)CNC(=O)C=Cc1cccc(c1)Br 11a_100000759067_100016258244 [0,2,0,0,0,0|1,0,0]=3 5550 B18R1.9968 CC(C)C(O)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000759067_100016258244 [0,2,0,0,0,0|1,0,0]=3 5551 B18R1.9968 CC(C)C(O)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000759067_100000184502 [0,2,0,0,0,0|1,0,0]=3 5552 B18R1.9968 CC(C)C(O)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000759067_100000184502 [0,2,0,0,0,0|1,0,0]=3 5553 B18R1.9968 CC(C)C(O)CNC(=O)C=Cc1cccc(c1)F 11a_100000759067_100000718793 [0,2,0,0,0,0|1,0,0]=3 5554 B18R1.9968 CC(C)C(O)CNC(=O)C=Cc1cccc(c1)F 240690a_100000759067_100000718793 [0,2,0,0,0,0|1,0,0]=3 5555 B18R1.9968 CC(C)C(O)CNC(=O)C=Cc1cccc(c1)I 11a_100000759067_100020647043 [0,2,0,0,0,0|1,0,0]=3 5556 B18R1.9968 CC(C)C(O)CNC(=O)C=Cc1cccc(c1)I 240690a_100000759067_100020647043 [0,2,0,0,0,0|1,0,0]=3 5557 B18R1.9968 Cc1cccc(c1)C=CC(=O)NCC(O)C(C)C 11a_100000759067_100000690095 [0,2,0,0,0,0|1,0,0]=3 5558 B18R1.9968 Cc1cccc(c1)C=CC(=O)NCC(O)C(C)C 240690a_100000759067_100000690095 [0,2,0,0,0,0|1,0,0]=3 5559 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)Br 11a_100000738805_100016258244 [0,2,0,0,0,0|1,0,0]=3 5560 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000738805_100016258244 [0,2,0,0,0,0|1,0,0]=3 5561 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000738805_100016258244 [0,2,0,0,0,0|1,0,0]=3 5562 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)Cl 11a_100000738805_100000184502 [0,2,0,0,0,0|1,0,0]=3 5563 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000738805_100000184502 [0,2,0,0,0,0|1,0,0]=3 5564 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000738805_100000184502 [0,2,0,0,0,0|1,0,0]=3 5565 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)F 11a_100000738805_100000718793 [0,2,0,0,0,0|1,0,0]=3 5566 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)F 1626a_100000738805_100000718793 [0,2,0,0,0,0|1,0,0]=3 5567 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)F 240690a_100000738805_100000718793 [0,2,0,0,0,0|1,0,0]=3 5568 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)I 11a_100000738805_100020647043 [0,2,0,0,0,0|1,0,0]=3 5569 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)I 1626a_100000738805_100020647043 [0,2,0,0,0,0|1,0,0]=3 5570 B18R1.17708 CC(C)(C)CCNC(=O)C=Cc1cccc(c1)I 240690a_100000738805_100020647043 [0,2,0,0,0,0|1,0,0]=3 5571 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)Br 11a_100016253952_100016258244 [0,2,0,0,0,0|1,0,0]=3 5572 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)Br 1626a_100016253952_100016258244 [0,2,0,0,0,0|1,0,0]=3 5573 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100016253952_100016258244 [0,2,0,0,0,0|1,0,0]=3 5574 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)Cl 11a_100016253952_100000184502 [0,2,0,0,0,0|1,0,0]=3 5575 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100016253952_100000184502 [0,2,0,0,0,0|1,0,0]=3 5576 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100016253952_100000184502 [0,2,0,0,0,0|1,0,0]=3 5577 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)F 11a_100016253952_100000718793 [0,2,0,0,0,0|1,0,0]=3 5578 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)F 1626a_100016253952_100000718793 [0,2,0,0,0,0|1,0,0]=3 5579 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)F 240690a_100016253952_100000718793 [0,2,0,0,0,0|1,0,0]=3 5580 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)I 11a_100016253952_100020647043 [0,2,0,0,0,0|1,0,0]=3 5581 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)I 1626a_100016253952_100020647043 [0,2,0,0,0,0|1,0,0]=3 5582 B18R1.17708 CC(C)(F)CCNC(=O)C=Cc1cccc(c1)I 240690a_100016253952_100020647043 [0,2,0,0,0,0|1,0,0]=3 5583 B18R1.17708 CC(C)(O)CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000707701_100016258244 [0,2,0,0,0,0|1,0,0]=3 5584 B18R1.17708 CC(C)(O)CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000707701_100000184502 [0,2,0,0,0,0|1,0,0]=3 5585 B18R1.17708 CC(C)(O)CCNC(=O)C=Cc1cccc(c1)F 1626a_100000707701_100000718793 [0,2,0,0,0,0|1,0,0]=3 5586 B18R1.17708 CC(C)(O)CCNC(=O)C=Cc1cccc(c1)I 1626a_100000707701_100020647043 [0,2,0,0,0,0|1,0,0]=3 5587 B18R1.17708 C[N+](C)(C)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100016990835 [0,2,0,0,0,0|2,0,0]=4 5588 B18R1.17708 C[N+](C)(C)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100016990835 [0,2,0,0,0,0|2,0,0]=4 5589 B18R1.17708 C[N+](C)(C)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100016990835 [0,2,0,0,0,0|2,0,0]=4 5590 B18R1.17708 C[N+](C)(C)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100016990835 [0,2,0,0,0,0|2,0,0]=4 5591 B18R1.17708 C[N+](C)(C)CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000106457_100016258244 [0,2,0,0,0,0|2,0,0]=4 5592 B18R1.17708 C[N+](C)(C)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000106457_100016258244 [0,2,0,0,0,0|2,0,0]=4 5593 B18R1.17708 C[N+](C)(C)CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000106457_100000184502 [0,2,0,0,0,0|2,0,0]=4 5594 B18R1.17708 C[N+](C)(C)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000106457_100000184502 [0,2,0,0,0,0|2,0,0]=4 5595 B18R1.17708 C[N+](C)(C)CCNC(=O)C=Cc1cccc(c1)F 1626a_100000106457_100000718793 [0,2,0,0,0,0|2,0,0]=4 5596 B18R1.17708 C[N+](C)(C)CCNC(=O)C=Cc1cccc(c1)F 240690a_100000106457_100000718793 [0,2,0,0,0,0|2,0,0]=4 5597 B18R1.17708 C[N+](C)(C)CCNC(=O)C=Cc1cccc(c1)I 1626a_100000106457_100020647043 [0,2,0,0,0,0|2,0,0]=4 5598 B18R1.17708 C[N+](C)(C)CCNC(=O)C=Cc1cccc(c1)I 240690a_100000106457_100020647043 [0,2,0,0,0,0|2,0,0]=4 5599 B18R1.17708 C[Si](C)(C)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011219597 [0,2,0,0,0,0|1,1,0]=4 5600 B18R1.17708 C[Si](C)(C)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011219597 [0,2,0,0,0,0|1,1,0]=4 5601 B18R1.17708 C[Si](C)(C)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011219597 [0,2,0,0,0,0|1,1,0]=4 5602 B18R1.17708 C[Si](C)(C)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011219597 [0,2,0,0,0,0|1,1,0]=4 5603 B18R1.17708 Cc1cccc(c1)C=CC(=O)CCC[N+](C)(C)C 1458a_100000690095_100016990835 [0,2,0,0,0,0|2,0,0]=4 5604 B18R1.17708 Cc1cccc(c1)C=CC(=O)CCC[Si](C)(C)C 1458a_100000690095_100011219597 [0,2,0,0,0,0|1,1,0]=4 5605 B18R1.17708 Cc1cccc(c1)C=CC(=O)NCCC(C)(C)C 11a_100000738805_100000690095 [0,2,0,0,0,0|1,0,0]=3 5606 B18R1.17708 Cc1cccc(c1)C=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000690095 [0,2,0,0,0,0|1,0,0]=3 5607 B18R1.17708 Cc1cccc(c1)C=CC(=O)NCCC(C)(C)C 240690a_100000738805_100000690095 [0,2,0,0,0,0|1,0,0]=3 5608 B18R1.17708 Cc1cccc(c1)C=CC(=O)NCCC(C)(C)F 11a_100016253952_100000690095 [0,2,0,0,0,0|1,0,0]=3 5609 B18R1.17708 Cc1cccc(c1)C=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000690095 [0,2,0,0,0,0|1,0,0]=3 5610 B18R1.17708 Cc1cccc(c1)C=CC(=O)NCCC(C)(C)F 240690a_100016253952_100000690095 [0,2,0,0,0,0|1,0,0]=3 5611 B18R1.17708 Cc1cccc(c1)C=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000690095 [0,2,0,0,0,0|1,0,0]=3 5612 B18R1.17708 Cc1cccc(c1)C=CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000690095 [0,2,0,0,0,0|2,0,0]=4 5613 B18R1.17708 Cc1cccc(c1)C=CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000690095 [0,2,0,0,0,0|2,0,0]=4 5614 B18R1.39571 CC(C)CCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100011214892 [0,2,0,0,0,0|1,0,0]=3 5615 B18R1.39571 CC(C)CCCC(=O)C=Cc1cncc(c1)C#N 6a_100011361567_100000753411 [0,2,0,0,0,0|2,0,0]=4 5616 B18R1.39571 CC(C)CCNC(=O)C=Cc1cccc(c1)C#N 11a_100000210545_100000738773 [0,2,0,0,0,0|1,0,0]=3 5617 B18R1.39571 CC(C)CCNC(=O)C=Cc1cccc(c1)C#N 1626a_100000210545_100000738773 [0,2,0,0,0,0|1,0,0]=3 5618 B18R1.39571 CC(C)CCNC(=O)C=Cc1cccc(c1)C#N 240690a_100000210545_100000738773 [0,2,0,0,0,0|1,0,0]=3 5619 B18R1.39571 CC(C)CNNC(=O)C=Cc1cccc(c1)C#N 22a_100000696102_100000738773 [0,2,0,0,0,0|2,0,0]=4 5620 B18R1.39571 CC(C)OCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000211751 [0,2,0,0,0,0|2,0,0]=4 5621 B18R1.39571 CC(C)SCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000730970 [0,2,0,0,0,0|2,0,0]=4 5622 B18R1.39571 CC(O)CCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200000718107 [0,2,0,0,0,0|2,0,0]=4 5623 B18R1.39571 CC(O)CCNC(=O)C=Cc1cccc(c1)C#N 240690a_200000755665_100000738773 [0,2,0,0,0,0|2,0,0]=4 5624 B18R1.39571 CN(C)CCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000695564 [0,2,0,0,0,0|2,0,0]=4 5625 B18R1.39571 CN(C)CCNC(=O)C=Cc1cccc(c1)C#N 240690a_100000210585_100000738773 [0,2,0,0,0,0|2,0,0]=4 5626 B18R1.39571 COc1cccc(c1)C=CC(=O)NNCC(C)C 22a_100000696102_100000211917 [0,2,0,0,0,0|2,0,0]=4 5627 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100000753411 [0,2,0,0,0,0|1,0,0]=3 5628 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100000753411 [0,2,0,0,0,0|1,0,0]=3 5629 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100000753411 [0,2,0,0,0,0|1,0,0]=3 5630 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100000753411 [0,2,0,0,0,0|1,0,0]=3 5631 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100011214892 [0,2,0,0,0,0|1,0,0]=3 5632 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100000753411 [0,2,0,0,0,0|1,0,0]=3 5633 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100011214892 [0,2,0,0,0,0|1,0,0]=3 5634 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100000753411 [0,2,0,0,0,0|1,0,0]=3 5635 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100000753411 [0,2,0,0,0,0|1,0,0]=3 5636 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100011214892 [0,2,0,0,0,0|1,0,0]=3 5637 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100000753411 [0,2,0,0,0,0|1,0,0]=3 5638 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100000753411 [0,2,0,0,0,0|1,0,0]=3 5639 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100000753411 [0,2,0,0,0,0|1,0,0]=3 5640 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100000753411 [0,2,0,0,0,0|1,0,0]=3 5641 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100000753411 [0,2,0,0,0,0|1,0,0]=3 5642 B18R1.96703 CC(C)CCCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100000753411 [0,2,0,0,0,0|1,0,0]=3 5643 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 11a_100000210545_100000234795 [0,2,0,0,0,0|1,0,0]=3 5644 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100000210545_100000234795 [0,2,0,0,0,0|1,0,0]=3 5645 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100000210545_100000234795 [0,2,0,0,0,0|1,0,0]=3 5646 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)Cl)F 11a_100000210545_100012349021 [0,2,0,0,0,0|1,0,0]=3 5647 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100000210545_100012349021 [0,2,0,0,0,0|1,0,0]=3 5648 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100000210545_100012349021 [0,2,0,0,0,0|1,0,0]=3 5649 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)F)F 11a_100000210545_100015207409 [0,2,0,0,0,0|1,0,0]=3 5650 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100000210545_100015207409 [0,2,0,0,0,0|1,0,0]=3 5651 B18R1.96703 CC(C)CCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100000210545_100015207409 [0,2,0,0,0,0|1,0,0]=3 5652 B18R1.96703 CC(C)CNNC(=O)C=Cc1cc(cc(c1)Cl)Cl 22a_100000696102_100000234795 [0,2,0,0,0,0|2,0,0]=4 5653 B18R1.96703 CC(C)CNNC(=O)C=Cc1cc(cc(c1)Cl)F 22a_100000696102_100012349021 [0,2,0,0,0,0|2,0,0]=4 5654 B18R1.96703 CC(C)CNNC(=O)C=Cc1cc(cc(c1)F)F 22a_100000696102_100015207409 [0,2,0,0,0,0|2,0,0]=4 5655 B18R1.96703 CC(C)CNNC(=O)C=Cc1cc(cc(c1)O)O 22a_100000696102_200016280741 [0,2,0,0,0,0|2,0,0]=4 5656 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_200011219172 [0,2,0,0,0,0|2,0,0]=4 5657 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_200011219172 [0,2,0,0,0,0|2,0,0]=4 5658 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_200011219172 [0,2,0,0,0,0|2,0,0]=4 5659 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_200011219172 [0,2,0,0,0,0|2,0,0]=4 5660 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000211751 [0,2,0,0,0,0|2,0,0]=4 5661 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_200011219172 [0,2,0,0,0,0|2,0,0]=4 5662 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000211751 [0,2,0,0,0,0|2,0,0]=4 5663 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_200011219172 [0,2,0,0,0,0|2,0,0]=4 5664 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_200011219172 [0,2,0,0,0,0|2,0,0]=4 5665 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000211751 [0,2,0,0,0,0|2,0,0]=4 5666 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_200011219172 [0,2,0,0,0,0|2,0,0]=4 5667 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_200011219172 [0,2,0,0,0,0|2,0,0]=4 5668 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_200011219172 [0,2,0,0,0,0|2,0,0]=4 5669 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_200011219172 [0,2,0,0,0,0|2,0,0]=4 5670 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_200011219172 [0,2,0,0,0,0|2,0,0]=4 5671 B18R1.96703 CC(C)OCCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_200011219172 [0,2,0,0,0,0|2,0,0]=4 5672 B18R1.96703 CC(C)SCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000730970 [0,2,0,0,0,0|2,0,0]=4 5673 B18R1.96703 CC(C)SCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000730970 [0,2,0,0,0,0|2,0,0]=4 5674 B18R1.96703 CC(C)SCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000730970 [0,2,0,0,0,0|2,0,0]=4 5675 B18R1.96703 CC(O)CCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_200000718107 [0,2,0,0,0,0|2,0,0]=4 5676 B18R1.96703 CC(O)CCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_200000718107 [0,2,0,0,0,0|2,0,0]=4 5677 B18R1.96703 CC(O)CCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_200000718107 [0,2,0,0,0,0|2,0,0]=4 5678 B18R1.96703 CC(O)CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_200000755665_100000234795 [0,2,0,0,0,0|2,0,0]=4 5679 B18R1.96703 CC(O)CCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_200000755665_100012349021 [0,2,0,0,0,0|2,0,0]=4 5680 B18R1.96703 CC(O)CCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_200000755665_100015207409 [0,2,0,0,0,0|2,0,0]=4 5681 B18R1.96703 CN(C)CCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000695564 [0,2,0,0,0,0|2,0,0]=4 5682 B18R1.96703 CN(C)CCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000695564 [0,2,0,0,0,0|2,0,0]=4 5683 B18R1.96703 CN(C)CCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000695564 [0,2,0,0,0,0|2,0,0]=4 5684 B18R1.96703 CN(C)CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100000210585_100000234795 [0,2,0,0,0,0|2,0,0]=4 5685 B18R1.96703 CN(C)CCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100000210585_100012349021 [0,2,0,0,0,0|2,0,0]=4 5686 B18R1.96703 CN(C)CCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100000210585_100015207409 [0,2,0,0,0,0|2,0,0]=4 5687 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCC(C)C)Br 6a_100000686105_100000753411 [0,2,0,0,0,0|1,0,0]=3 5688 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCC(C)C)C 1458a_100016257640_100011214892 [0,2,0,0,0,0|1,0,0]=3 5689 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCC(C)C)C 6a_100000745632_100000753411 [0,2,0,0,0,0|1,0,0]=3 5690 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCC(C)C)Cl 6a_100000684525_100000753411 [0,2,0,0,0,0|1,0,0]=3 5691 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCC(C)C)F 1458a_100102526130_100011214892 [0,2,0,0,0,0|1,0,0]=3 5692 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCC(C)C)F 6a_100011217087_100000753411 [0,2,0,0,0,0|1,0,0]=3 5693 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCC(C)C)O 6a_100009853434_100000753411 [0,2,0,0,0,0|1,0,0]=3 5694 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCC(C)O)C 1458a_100016257640_200000718107 [0,2,0,0,0,0|2,0,0]=4 5695 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCC(C)O)F 1458a_100102526130_200000718107 [0,2,0,0,0,0|2,0,0]=4 5696 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCN(C)C)C 1458a_100016257640_100000695564 [0,2,0,0,0,0|2,0,0]=4 5697 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCCN(C)C)F 1458a_100102526130_100000695564 [0,2,0,0,0,0|2,0,0]=4 5698 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCOC(C)C)Br 6a_100000686105_200011219172 [0,2,0,0,0,0|2,0,0]=4 5699 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCOC(C)C)C 1458a_100016257640_100000211751 [0,2,0,0,0,0|2,0,0]=4 5700 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCOC(C)C)C 6a_100000745632_200011219172 [0,2,0,0,0,0|2,0,0]=4 5701 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCOC(C)C)Cl 6a_100000684525_200011219172 [0,2,0,0,0,0|2,0,0]=4 5702 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCOC(C)C)F 1458a_100102526130_100000211751 [0,2,0,0,0,0|2,0,0]=4 5703 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCOC(C)C)F 6a_100011217087_200011219172 [0,2,0,0,0,0|2,0,0]=4 5704 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCOC(C)C)O 6a_100009853434_200011219172 [0,2,0,0,0,0|2,0,0]=4 5705 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCSC(C)C)C 1458a_100016257640_100000730970 [0,2,0,0,0,0|2,0,0]=4 5706 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)CCSC(C)C)F 1458a_100102526130_100000730970 [0,2,0,0,0,0|2,0,0]=4 5707 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCC(C)C)C 11a_100000210545_100016257640 [0,2,0,0,0,0|1,0,0]=3 5708 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCC(C)C)C 1626a_100000210545_100016257640 [0,2,0,0,0,0|1,0,0]=3 5709 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCC(C)C)C 240690a_100000210545_100016257640 [0,2,0,0,0,0|1,0,0]=3 5710 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCC(C)C)F 11a_100000210545_100102526130 [0,2,0,0,0,0|1,0,0]=3 5711 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCC(C)C)F 1626a_100000210545_100102526130 [0,2,0,0,0,0|1,0,0]=3 5712 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCC(C)C)F 240690a_100000210545_100102526130 [0,2,0,0,0,0|1,0,0]=3 5713 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCC(C)O)C 240690a_200000755665_100016257640 [0,2,0,0,0,0|2,0,0]=4 5714 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCC(C)O)F 240690a_200000755665_100102526130 [0,2,0,0,0,0|2,0,0]=4 5715 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCN(C)C)C 240690a_100000210585_100016257640 [0,2,0,0,0,0|2,0,0]=4 5716 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NCCN(C)C)F 240690a_100000210585_100102526130 [0,2,0,0,0,0|2,0,0]=4 5717 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NNCC(C)C)C 22a_100000696102_100016257640 [0,2,0,0,0,0|2,0,0]=4 5718 B18R1.96703 Cc1cc(cc(c1)C=CC(=O)NNCC(C)C)F 22a_100000696102_100102526130 [0,2,0,0,0,0|2,0,0]=4 5719 B18R1.57608 CC(C)(C)CCNS(=O)(=O)C=Cc1ccccc1 40a_100000738805_100011098038 [0,2,0,0,0,0|2,0,0]=4 5720 B18R1.57608 CC(C)(F)CCNS(=O)(=O)C=Cc1ccccc1 40a_100016253952_100011098038 [0,2,0,0,0,0|2,0,0]=4 5721 B18R1.57608 CC(C)(O)CCNS(=O)(=O)C=Cc1ccccc1 40a_100000707701_100011098038 [0,2,0,0,0,0|2,0,0]=4 5722 B18R1.175823 CC(C)CC(C)NS(=O)(=O)C=Cc1ccccc1 40a_100000692259_100011098038 [0,2,0,0,0,0|2,0,0]=4 5723 B18R1.177039 CC(C)C(O)CNS(=O)(=O)C=Cc1ccccc1 40a_100000759067_100011098038 [0,2,0,0,0,0|2,0,0]=4 5724 B18R1.21141 CC(C)C(=O)C(C)NC(=O)C=Cc1ccccc1 1458a_100015194556_100000210206 [0,2,0,0,0,0|1,0,1]=4 5725 B18R1.21641 CC(C)CC(C#N)NC(=O)C=Cc1ccccc1 11a_100000741378_100000210462 [0,2,0,0,0,0|1,0,0]=3 5726 B18R1.21641 CC(C)CC(C#N)NC(=O)C=Cc1ccccc1 1626a_100000741378_100000210462 [0,2,0,0,0,0|1,0,0]=3 5727 B18R1.21641 CC(C)CC(C#N)NC(=O)C=Cc1ccccn1 11a_100000741378_100000740811 [0,2,0,0,0,0|2,0,0]=4 5728 B18R1.21641 CC(C)CC(C#N)NC(=O)C=Cc1ccccn1 240690a_100000741378_100000740811 [0,2,0,0,0,0|2,0,0]=4 5729 B18R1.21641 CC(C)CC(C#N)NC(=O)C=Cc1cccnc1 11a_100000741378_100000735890 [0,2,0,0,0,0|2,0,0]=4 5730 B18R1.21641 CC(C)CC(C#N)NC(=O)C=Cc1cccnc1 240690a_100000741378_100000735890 [0,2,0,0,0,0|2,0,0]=4 5731 B18R1.21641 CC(C)CC(C#N)NC(=O)C=Cc1ccncc1 240690a_100000741378_100000682801 [0,2,0,0,0,0|2,0,0]=4 5732 B18R1.21641 CC(C)C[C@@H](CO)NC(=O)C=Cc1ccccn1 240690a_100011830311_100000740811 [0,2,0,0,0,0|2,0,0]=4 5733 B18R1.21641 CC(C)C[C@@H](CO)NC(=O)C=Cc1cccnc1 240690a_100011830311_100000735890 [0,2,0,0,0,0|2,0,0]=4 5734 B18R1.21641 CC(C)C[C@@H](CO)NC(=O)C=Cc1ccncc1 240690a_100011830311_100000682801 [0,2,0,0,0,0|2,0,0]=4 5735 B18R1.47773 C[C@@H](CC(C)(C)C)NC(=O)C=Cc1ccccc1 11a_106358413534_100000210462 [0,2,0,0,0,0|1,0,0]=3 5736 B18R1.47773 C[C@@H](CC(C)(C)C)NC(=O)C=Cc1ccccc1 1626a_106358413534_100000210462 [0,2,0,0,0,0|1,0,0]=3 5737 B18R1.47773 C[C@@H](CC(C)(C)C)NC(=O)C=Cc1ccccn1 11a_106358413534_100000740811 [0,2,0,0,0,0|2,0,0]=4 5738 B18R1.47773 C[C@@H](CC(C)(C)C)NC(=O)C=Cc1ccccn1 240690a_106358413534_100000740811 [0,2,0,0,0,0|2,0,0]=4 5739 B18R1.47773 C[C@@H](CC(C)(C)C)NC(=O)C=Cc1cccnc1 11a_106358413534_100000735890 [0,2,0,0,0,0|2,0,0]=4 5740 B18R1.47773 C[C@@H](CC(C)(C)C)NC(=O)C=Cc1cccnc1 240690a_106358413534_100000735890 [0,2,0,0,0,0|2,0,0]=4 5741 B18R1.47773 C[C@@H](CC(C)(C)C)NC(=O)C=Cc1ccncc1 240690a_106358413534_100000682801 [0,2,0,0,0,0|2,0,0]=4 5742 B18R1.47773 C[N+](C)(C)CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000032816 [0,2,0,0,0,0|2,0,0]=4 5743 B18R1.263758 CC(C)CC(C)(C)NC(=O)C=Cc1ccccc1 11a_100011346068_100000210462 [0,2,0,0,0,0|1,0,0]=3 5744 B18R1.263758 CC(C)CC(C)(C)NC(=O)C=Cc1ccccc1 1626a_100011346068_100000210462 [0,2,0,0,0,0|1,0,0]=3 5745 B18R1.263758 CC(C)CC(C)(C)NC(=O)C=Cc1ccccn1 11a_100011346068_100000740811 [0,2,0,0,0,0|2,0,0]=4 5746 B18R1.263758 CC(C)CC(C)(C)NC(=O)C=Cc1ccccn1 240690a_100011346068_100000740811 [0,2,0,0,0,0|2,0,0]=4 5747 B18R1.263758 CC(C)CC(C)(C)NC(=O)C=Cc1cccnc1 11a_100011346068_100000735890 [0,2,0,0,0,0|2,0,0]=4 5748 B18R1.263758 CC(C)CC(C)(C)NC(=O)C=Cc1cccnc1 240690a_100011346068_100000735890 [0,2,0,0,0,0|2,0,0]=4 5749 B18R1.263758 CC(C)CC(C)(C)NC(=O)C=Cc1ccncc1 240690a_100011346068_100000682801 [0,2,0,0,0,0|2,0,0]=4 5750 B18R1.263758 CC(C)CS(=O)(=O)NC(=O)C=Cc1ccccc1 2740a_100000748329_100000210462 [0,2,0,0,0,0|2,0,0]=4 5751 B18R1.263758 CN(C)CC(C)(C)NC(=O)C=Cc1ccccc1 11a_100015183317_100000210462 [0,2,0,0,0,0|2,0,0]=4 5752 B18R1.263758 CN(C)CC(C)(C)NC(=O)C=Cc1ccccc1 1626a_100015183317_100000210462 [0,2,0,0,0,0|2,0,0]=4 5753 B18R1.47769 CC(C)(O)[C@H](F)CNC(=O)C=Cc1ccccc1 1626a_100015379105_100000210462 [0,2,0,0,0,0|1,0,0]=3 5754 B18R1.60055 CC(C)C(CO)CNC(=O)C=Cc1ccccn1 240690a_100000692819_100000740811 [0,2,0,0,0,0|2,0,0]=4 5755 B18R1.60055 CC(C)C(CO)CNC(=O)C=Cc1cccnc1 240690a_100000692819_100000735890 [0,2,0,0,0,0|2,0,0]=4 5756 B18R1.60055 CC(C)C(CO)CNC(=O)C=Cc1ccncc1 240690a_100000692819_100000682801 [0,2,0,0,0,0|2,0,0]=4 5757 B18R1.60055 CCC(CNC(=O)C=Cc1ccccc1)N(C)C 11a_100000738386_100000210462 [0,2,0,0,0,0|2,0,0]=4 5758 B18R1.60055 CCC(CNC(=O)C=Cc1ccccc1)N(C)C 1626a_100000738386_100000210462 [0,2,0,0,0,0|2,0,0]=4 5759 B18R1.175302 CN(C)C(C)(C)CNC(=O)C=Cc1ccccc1 1626a_100153394228_100000210462 [0,2,0,0,0,0|2,0,0]=4 5760 B16R1.18704 C=Cc1ccccc1C(=O)CCCC(C)C 1458a_100011830265_100011214892 [0,0,1,1,0,0|1,0,0]=3 5761 B16R1.18704 C=Cc1ccccc1C(=O)CCCC(C)O 1458a_100011830265_200000718107 [0,0,1,1,0,0|2,0,0]=4 5762 B16R1.18704 C=Cc1ccccc1C(=O)CCCN(C)C 1458a_100011830265_100000695564 [0,0,1,1,0,0|2,0,0]=4 5763 B16R1.18704 C=Cc1ccccc1C(=O)CCOC(C)C 1458a_100011830265_100000211751 [0,0,1,1,0,0|2,0,0]=4 5764 B16R1.18704 C=Cc1ccccc1C(=O)CCSC(C)C 1458a_100011830265_100000730970 [0,0,1,1,0,0|2,0,0]=4 5765 B16R1.18704 C=Cc1ccccc1C(=O)NCCC(C)C 1626a_100000210545_100011830265 [0,0,1,1,0,0|1,0,0]=3 5766 B16R1.18704 C=Cc1ccccc1C(=O)NNCC(C)C 22a_100000696102_100011830265 [0,0,1,1,0,0|2,0,0]=4 5767 B16R1.18704 CC(C)CCOC(=O)c1ccccc1O[13CH3] 7a_100000030269_200025704644 [0,0,1,1,0,0|1,0,1]=4 5768 B16R1.18704 COc1ccccc1C(=O)OCCC(C)C 7a_100000030269_200000210301 [0,0,1,1,0,0|1,0,1]=4 5769 B16R1.19729 C=Cc1cccc(c1)C(=O)CCCC(C)C 1458a_100011215009_100011214892 [0,0,1,1,0,0|1,0,0]=3 5770 B16R1.19729 C=Cc1cccc(c1)C(=O)CCCC(C)O 1458a_100011215009_200000718107 [0,0,1,1,0,0|2,0,0]=4 5771 B16R1.19729 C=Cc1cccc(c1)C(=O)CCCN(C)C 1458a_100011215009_100000695564 [0,0,1,1,0,0|2,0,0]=4 5772 B16R1.19729 C=Cc1cccc(c1)C(=O)CCOC(C)C 1458a_100011215009_100000211751 [0,0,1,1,0,0|2,0,0]=4 5773 B16R1.19729 C=Cc1cccc(c1)C(=O)CCSC(C)C 1458a_100011215009_100000730970 [0,0,1,1,0,0|2,0,0]=4 5774 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)C 11a_100000210545_100011215009 [0,0,1,1,0,0|1,0,0]=3 5775 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)C 1626a_100000210545_100011215009 [0,0,1,1,0,0|1,0,0]=3 5776 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)C 240690a_100000210545_100011215009 [0,0,1,1,0,0|1,0,0]=3 5777 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)C 527a_100000210545_100011215009 [0,0,1,1,0,0|1,0,0]=3 5778 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)O 240690a_200000755665_100011215009 [0,0,1,1,0,0|2,0,0]=4 5779 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCC(C)O 527a_200000755665_100011215009 [0,0,1,1,0,0|2,0,0]=4 5780 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCN(C)C 240690a_100000210585_100011215009 [0,0,1,1,0,0|2,0,0]=4 5781 B16R1.19729 C=Cc1cccc(c1)C(=O)NCCN(C)C 527a_100000210585_100011215009 [0,0,1,1,0,0|2,0,0]=4 5782 B16R1.19729 C=Cc1cccc(c1)C(=O)NNCC(C)C 22a_100000696102_100011215009 [0,0,1,1,0,0|2,0,0]=4 5783 B16R2.296 CC1CCN1C(=O)C=Cc2ccccc2 11a_100000755817_100000210462 [1,0,0,1,0,0|1,0,0]=3 5784 B16R2.296 CC1CCN1C(=O)C=Cc2ccccn2 11a_100000755817_100000740811 [1,0,0,1,0,0|2,0,0]=4 5785 B16R2.296 CC1CCN1C(=O)C=Cc2ccccn2 240690a_100000755817_100000740811 [1,0,0,1,0,0|2,0,0]=4 5786 B16R2.296 CC1CCN1C(=O)C=Cc2cccnc2 11a_100000755817_100000735890 [1,0,0,1,0,0|2,0,0]=4 5787 B16R2.296 CC1CCN1C(=O)C=Cc2cccnc2 240690a_100000755817_100000735890 [1,0,0,1,0,0|2,0,0]=4 5788 B16R2.296 CC1CCN1C(=O)C=Cc2ccncc2 240690a_100000755817_100000682801 [1,0,0,1,0,0|2,0,0]=4 5789 B16R2.2238 O=C(C=Cc1ccccc1)C2CCCC2 1458a_100000210462_100000179811 [1,0,0,1,0,0|1,0,0]=3 5790 B16R2.2238 O=C(C=Cc1ccccc1)C2CCOC2 1458a_100000210462_100000690089 [1,0,0,1,0,0|2,0,0]=4 5791 B16R2.2238 O=C(C=Cc1ccccc1)N2CCSC2 11a_100011215254_100000210462 [1,0,0,1,0,0|2,0,0]=4 5792 B16R2.2238 O=C(C=Cc1ccccn1)C2CCCC2 1458a_100000740811_100000179811 [1,0,0,1,0,0|2,0,0]=4 5793 B16R2.2238 O=C(C=Cc1ccccn1)N2CCCC2 240690a_100000188435_100000740811 [1,0,0,1,0,0|2,0,0]=4 5794 B16R2.2238 O=C(C=Cc1cccnc1)C2CCCC2 1458a_100000735890_100000179811 [1,0,0,1,0,0|2,0,0]=4 5795 B16R2.2238 O=C(C=Cc1cccnc1)N2CCCC2 240690a_100000188435_100000735890 [1,0,0,1,0,0|2,0,0]=4 5796 B16R2.2238 O=C(C=Cc1ccncc1)C2CCCC2 1458a_100000682801_100000179811 [1,0,0,1,0,0|2,0,0]=4 5797 B16R2.2238 O=C(C=Cc1ccncc1)N2CCCC2 240690a_100000188435_100000682801 [1,0,0,1,0,0|2,0,0]=4 5798 B16R2.2441 CCCCNc1ccc2ccccc2c1 34a_100000211940_100000210210 [1,0,0,1,0,0|2,0,0]=4 5799 B16R2.2441 CCCCNc1ccc2ccccc2c1 7a_100000211940_100000210211 [1,0,0,1,0,0|2,0,0]=4 5800 B16R2.2441 CCCCNc1ccc2ccccc2n1 27a_100000102301_100011291633 [1,0,0,1,0,0|2,0,0]=4 5801 B16R2.2441 CCCCOc1ccc2ccccc2c1 34a_100000185828_100000210210 [1,0,0,1,0,0|1,0,0]=3 5802 B16R2.2441 CCCCOc1ccc2ccccc2c1 7a_100000185828_100000210211 [1,0,0,1,0,0|1,0,0]=3 5803 B16R2.2441 CCCCOc1ccc2cccnc2c1 34a_100011216045_100000210210 [1,0,0,1,0,0|2,0,0]=4 5804 B16R2.2441 CCCCOc1ccc2ccncc2c1 7a_100000752006_100000210211 [1,0,0,1,0,0|2,0,0]=4 5805 B16R2.2441 CCCCOc1ccc2cnccc2c1 34a_100000046372_100000210210 [1,0,0,1,0,0|2,0,0]=4 5806 B16R2.2441 CCCCOc1ccc2cnccc2c1 7a_100000046372_100000210211 [1,0,0,1,0,0|2,0,0]=4 5807 B16R2.2441 CCCCOc1ccc2ncccc2c1 34a_100011215586_100000210210 [1,0,0,1,0,0|2,0,0]=4 5808 B16R2.2441 CCCCOc1ccc2ncccc2c1 7a_100011215586_100000210211 [1,0,0,1,0,0|2,0,0]=4 5809 B16R2.2441 CCCCOc1cnc2ccccc2c1 34a_100011934006_100000210210 [1,0,0,1,0,0|2,0,0]=4 5810 B16R2.2441 CCCCOc1cnc2ccccc2c1 7a_100011934006_100000210211 [1,0,0,1,0,0|2,0,0]=4 5811 B16R2.2441 CCCCSc1ccc2ccccc2c1 62a_100000210211_100000233703 [1,0,0,1,0,0|1,1,0]=4 5812 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100000210211_100011291633 [1,0,0,1,0,0|1,1,0]=4 5813 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100011291633_100000210210 [1,0,0,1,0,0|1,1,0]=4 5814 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_100000185828_100011201679 [1,0,0,1,0,0|2,0,0]=4 5815 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_200011219602_200000210301 [1,0,0,1,0,0|2,0,0]=4 5816 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_100000185828_100000233755 [1,0,0,1,0,0|2,0,0]=4 5817 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_200011219602_200000210301 [1,0,0,1,0,0|2,0,0]=4 5818 B16R2.2441 CSCCOc1ccc2ccccc2c1 34a_100000185828_100000212216 [1,0,0,1,0,0|2,0,0]=4 5819 B16R2.2441 CSCCOc1ccc2ccccc2c1 7a_100000185828_100000212216 [1,0,0,1,0,0|2,0,0]=4 5820 B16R2.2441 FCCCOc1ccc2ccccc2c1 34a_100000185828_100011934791 [1,0,0,1,0,0|2,0,0]=4 5821 B16R2.2441 FCCCOc1ccc2ccccc2c1 7a_100000185828_100011934791 [1,0,0,1,0,0|2,0,0]=4 5822 B16R2.2441 OCCCOc1ccc2ccccc2c1 34a_100000185828_100000230001 [1,0,0,1,0,0|2,0,0]=4 5823 B16R2.2441 OCCCOc1ccc2ccccc2c1 7a_100000185828_100011215043 [1,0,0,1,0,0|2,0,0]=4 5824 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 34a_200011219602_200025704644 [1,0,0,1,0,0|2,0,0]=4 5825 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 7a_200011219602_200025704644 [1,0,0,1,0,0|2,0,0]=4 5826 B16R2.3193 O=C(C=Cc1ccccc1)N[C@@H]2C[C@H]2F 11a_100025746932_100000210462 [1,0,0,1,0,0|2,0,0]=4 5827 B16R2.3193 O=C(C=Cc1ccccc1)N[C@@H]2C[C@H]2F 1626a_100025746932_100000210462 [1,0,0,1,0,0|2,0,0]=4 5828 B16R2.30013 CCCCc1c(ccc2c1cccc2)Br 271570a_100020621405_100010090040 [1,0,0,1,0,0|2,0,0]=4 5829 B16R2.30013 CCCCc1c(ccc2c1cccc2)C 271570a_100020621405_100000759710 [1,0,0,1,0,0|2,0,0]=4 5830 B16R2.30013 CCCCc1c(ccc2c1cccc2)N 271570a_100020621405_100000705303 [1,0,0,1,0,0|2,0,0]=4 5831 B16R2.30013 CCCCc1c(ccc2c1cccc2)O 271570a_100020621405_100000183829 [1,0,0,1,0,0|1,0,1]=4 5832 B16R2.44148 O=C(C=Cc1ccccc1)CC2CCC2 1458a_100000210462_100000763275 [1,0,0,1,0,0|1,0,0]=3 5833 B16R2.44148 O=C(C=Cc1ccccc1)CC2CCO2 1458a_100000210462_100000103362 [1,0,0,1,0,0|2,0,0]=4 5834 B16R2.44148 O=C(C=Cc1ccccc1)CC2COC2 1458a_100000210462_100010264016 [1,0,0,1,0,0|2,0,0]=4 5835 B16R2.44148 O=C(C=Cc1ccccc1)NC2CCC2 11a_100000749019_100000210462 [1,0,0,1,0,0|1,0,0]=3 5836 B16R2.44148 O=C(C=Cc1ccccc1)NC2CCC2 1626a_100000749019_100000210462 [1,0,0,1,0,0|1,0,0]=3 5837 B16R2.44148 O=C(C=Cc1ccccc1)NC2COC2 11a_100016991112_100000210462 [1,0,0,1,0,0|2,0,0]=4 5838 B16R2.44148 O=C(C=Cc1ccccc1)NC2COC2 1626a_100016991112_100000210462 [1,0,0,1,0,0|2,0,0]=4 5839 B16R2.44148 O=C(C=Cc1ccccc1)NC2CSC2 11a_100016994217_100000210462 [1,0,0,1,0,0|2,0,0]=4 5840 B16R2.44148 O=C(C=Cc1ccccc1)NC2CSC2 1626a_100016994217_100000210462 [1,0,0,1,0,0|2,0,0]=4 5841 B16R2.44148 O=C(C=Cc1ccccn1)CC2CCC2 1458a_100000740811_100000763275 [1,0,0,1,0,0|2,0,0]=4 5842 B16R2.44148 O=C(C=Cc1ccccn1)NC2CCC2 11a_100000749019_100000740811 [1,0,0,1,0,0|2,0,0]=4 5843 B16R2.44148 O=C(C=Cc1ccccn1)NC2CCC2 240690a_100000749019_100000740811 [1,0,0,1,0,0|2,0,0]=4 5844 B16R2.44148 O=C(C=Cc1cccnc1)CC2CCC2 1458a_100000735890_100000763275 [1,0,0,1,0,0|2,0,0]=4 5845 B16R2.44148 O=C(C=Cc1cccnc1)NC2CCC2 11a_100000749019_100000735890 [1,0,0,1,0,0|2,0,0]=4 5846 B16R2.44148 O=C(C=Cc1cccnc1)NC2CCC2 240690a_100000749019_100000735890 [1,0,0,1,0,0|2,0,0]=4 5847 B16R2.44148 O=C(C=Cc1ccncc1)CC2CCC2 1458a_100000682801_100000763275 [1,0,0,1,0,0|2,0,0]=4 5848 B16R2.44148 O=C(C=Cc1ccncc1)NC2CCC2 240690a_100000749019_100000682801 [1,0,0,1,0,0|2,0,0]=4 5849 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CC2 1458a_100000210462_100000694398 [1,0,0,1,0,0|1,0,0]=3 5850 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CO2 1458a_100000210462_100000732470 [1,0,0,1,0,0|2,0,0]=4 5851 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 11a_100000735609_100000210462 [1,0,0,1,0,0|1,0,0]=3 5852 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 1626a_100000735609_100000210462 [1,0,0,1,0,0|1,0,0]=3 5853 B16R2.44153 O=C(C=Cc1ccccc1)NNC2CC2 22a_100000701032_100000210462 [1,0,0,1,0,0|2,0,0]=4 5854 B16R2.44153 O=C(C=Cc1ccccn1)CCC2CC2 1458a_100000740811_100000694398 [1,0,0,1,0,0|2,0,0]=4 5855 B16R2.44153 O=C(C=Cc1ccccn1)NCC2CC2 11a_100000735609_100000740811 [1,0,0,1,0,0|2,0,0]=4 5856 B16R2.44153 O=C(C=Cc1ccccn1)NCC2CC2 240690a_100000735609_100000740811 [1,0,0,1,0,0|2,0,0]=4 5857 B16R2.44153 O=C(C=Cc1cccnc1)CCC2CC2 1458a_100000735890_100000694398 [1,0,0,1,0,0|2,0,0]=4 5858 B16R2.44153 O=C(C=Cc1cccnc1)NCC2CC2 11a_100000735609_100000735890 [1,0,0,1,0,0|2,0,0]=4 5859 B16R2.44153 O=C(C=Cc1cccnc1)NCC2CC2 240690a_100000735609_100000735890 [1,0,0,1,0,0|2,0,0]=4 5860 B16R2.44153 O=C(C=Cc1ccncc1)CCC2CC2 1458a_100000682801_100000694398 [1,0,0,1,0,0|2,0,0]=4 5861 B16R2.44153 O=C(C=Cc1ccncc1)NCC2CC2 240690a_100000735609_100000682801 [1,0,0,1,0,0|2,0,0]=4 5862 B16R2.36 CC(C)CCOc1csc2c1cccc2 34a_100000077758_100000210312 [1,0,0,1,0,0|1,0,0]=3 5863 B16R2.36 CC(C)CCOc1csc2c1cccc2 7a_100000077758_100000210626 [1,0,0,1,0,0|1,0,0]=3 5864 B16R2.36 CC(C)CCSc1coc2c1cccc2 62a_100000210312_100009812202 [1,0,0,1,0,0|1,1,0]=4 5865 B16R2.36 CC(C)CCSc1csc2c1cccc2 62a_100000210312_100009813928 [1,0,0,1,0,0|1,1,0]=4 5866 B16R2.36 CC(C)OCOc1csc2c1cccc2 34a_100000077758_100000709892 [1,0,0,1,0,0|2,0,0]=4 5867 B16R2.36 CC(O)CCOc1csc2c1cccc2 34a_100000077758_100012276601 [1,0,0,1,0,0|2,0,0]=4 5868 B16R2.36 CC(O)CCOc1csc2c1cccc2 7a_100000077758_100012276601 [1,0,0,1,0,0|2,0,0]=4 5869 B16R2.36 CN(C)CCOc1csc2c1cccc2 7a_100000077758_100000755713 [1,0,0,1,0,0|2,0,0]=4 5870 B16R2.161 CC(C)Cn1nccc1c2ccccc2 271570a_100010068989_100000210277 [1,0,0,1,0,0|2,0,0]=4 5871 B16R2.2832 C[C@@H]1CCN(C1)C/C=C/c2ccccc2 2230a_100016987628_100016265936 [1,0,0,1,0,0|1,0,1]=4 5872 B16R2.2832 C[C@@H]1CCN(C1)C/C=C/c2ccccc2 269982a_100016987628_100016265936 [1,0,0,1,0,0|1,0,1]=4 5873 B16R2.2832 C[C@@H]1CCN(C1)C/C=C/c2ccccc2 34a_100016987628_100016265936 [1,0,0,1,0,0|1,0,1]=4 5874 B16R2.2832 C[C@@H]1CCN(C1)CC=Cc2ccccc2 270004a_100016987628_100000210105 [1,0,0,1,0,0|1,0,1]=4 5875 B16R2.3192 CC1CC1COC/C=C/c2ccccc2 34a_100000744939_100016265936 [1,0,0,1,0,0|0,0,1]=3 5876 B16R2.3192 CC1CC1COC/C=C/c2ccccc2 7a_100000744939_100016265936 [1,0,0,1,0,0|0,0,1]=3 5877 B16R2.6251 C(=C/c1ccccc1)\CNCCC2CC2 2230a_100020603302_100000694398 [1,0,0,1,0,0|1,0,1]=4 5878 B16R2.6251 C(=C/c1ccccc1)\CNCCC2CC2 34a_100000764129_100016265936 [1,0,0,1,0,0|1,0,1]=4 5879 B16R2.6251 C(=C/c1ccccc1)\CNCCC2CC2 34a_100020603302_100000694398 [1,0,0,1,0,0|1,0,1]=4 5880 B16R2.6251 C(=C/c1ccccc1)\COCCC2CC2 34a_100000210256_100000694398 [1,0,0,1,0,0|0,0,1]=3 5881 B16R2.6251 C(=C/c1ccccc1)\COCCC2CC2 34a_100000754188_100016265936 [1,0,0,1,0,0|0,0,1]=3 5882 B16R2.6251 C(=C/c1ccccc1)\COCCC2CC2 7a_100000754188_100016265936 [1,0,0,1,0,0|0,0,1]=3 5883 B16R2.6251 C(=C/c1ccccc1)\COCCC2CO2 34a_100000210256_100000732470 [1,0,0,1,0,0|1,0,1]=4 5884 B16R2.6251 C(=C/c1ccccc1)\COCC[C@@H]2CO2 34a_100009820653_100016265936 [1,0,0,1,0,0|1,0,1]=4 5885 B16R2.6251 C(=C/c1ccccc1)\CSCCC2CC2 62a_100000764125_100016265936 [1,0,0,1,0,0|0,1,1]=4 5886 B16R2.6251 C(=C/c1ccccc1)\CSCCC2CC2 62a_100016265936_100000764125 [1,0,0,1,0,0|0,1,1]=4 5887 B16R2.6251 C(=C/c1cccnc1)\COCCC2CC2 34a_200102594124_100000694398 [1,0,0,1,0,0|1,0,1]=4 5888 B16R2.6251 C(=Cc1ccccc1)C=NNCC2CC2 4a_100000736359_100000210105 [1,0,0,1,0,0|2,0,0]=4 5889 B16R2.6251 C(=Cc1ccccc1)CNCCC2CC2 270004a_100000764129_100000210105 [1,0,0,1,0,0|1,0,1]=4 5890 B16R2.179941 CC(C)CNc1cccc2c1cccc2 34a_100000185869_100000210624 [1,0,0,1,0,0|2,0,0]=4 5891 B16R2.179941 CC(C)COc1cccc2c1cccc2 34a_100000210388_100000210624 [1,0,0,1,0,0|2,0,0]=4 5892 B16R2.179941 CC(C)COc1cccc2c1cccc2 7a_100000210388_100000210760 [1,0,0,1,0,0|2,0,0]=4 5893 B16R2.179941 CC(C)CSc1cccc2c1cccc2 62a_100000210624_100000210605 [1,0,0,1,0,0|2,0,0]=4 5894 B16R2.179941 CC(C)NCc1cccc2c1cccc2 207a_100138425928_100000210074 [1,0,0,1,0,0|2,0,0]=4 5895 B16R2.179941 CC(C)NCc1cccc2c1cccc2 2230a_100138425928_100011261445 [1,0,0,1,0,0|2,0,0]=4 5896 B16R2.179941 CC(C)NCc1cccc2c1cccc2 34a_100000753325_100000210206 [1,0,0,1,0,0|2,0,0]=4 5897 B16R2.179941 CC(C)NCc1cccc2c1cccc2 34a_100138425928_100011261445 [1,0,0,1,0,0|2,0,0]=4 5898 B16R2.179941 CC(C)OCc1cccc2c1cccc2 34a_100000212225_100011261445 [1,0,0,1,0,0|2,0,0]=4 5899 B16R2.179941 CC(C)OCc1cccc2c1cccc2 34a_100011216843_100000210206 [1,0,0,1,0,0|2,0,0]=4 5900 B16R2.179941 CC(C)OCc1cccc2c1cccc2 7a_100011216843_100000210206 [1,0,0,1,0,0|2,0,0]=4 5901 B16R2.179941 CC(C)SCc1cccc2c1cccc2 62a_100000210206_100000188474 [1,0,0,1,0,0|2,0,0]=4 5902 B16R2.179941 CC(C)SCc1cccc2c1cccc2 62a_100011261445_100000210206 [1,0,0,1,0,0|2,0,0]=4 5903 B16R2.179941 CN(C)CCc1cccc2c1cccc2 2230a_100102631434_100011290781 [1,0,0,1,0,0|2,0,0]=4 5904 B16R2.179941 CN(C)CCc1cccc2c1cccc2 269982a_100102631434_100011290781 [1,0,0,1,0,0|2,0,0]=4 5905 B16R2.2855 C[C@@H]1CCN(C1)C(=O)C=Cc2cccs2 11a_100016987628_100000182767 [0,0,0,1,1,0|2,0,0]=4 5906 B16R2.2855 C[C@@H]1CCN(C1)C(=O)C=Cc2cccs2 240690a_100016987628_100000182767 [0,0,0,1,1,0|2,0,0]=4 5907 B16R2.2855 C[C@@H]1CCN(C1)C(=O)C=Cc2ccoc2 11a_100016987628_100000238621 [0,0,0,1,1,0|2,0,0]=4 5908 B16R2.2855 C[C@@H]1CCN(C1)C(=O)C=Cc2ccoc2 240690a_100016987628_100000238621 [0,0,0,1,1,0|2,0,0]=4 5909 B16R2.2855 C[C@@H]1CCN(C1)C(=O)C=Cc2ccsc2 11a_100016987628_100000698588 [0,0,0,1,1,0|2,0,0]=4 5910 B16R2.2855 C[C@@H]1CCN(C1)C(=O)C=Cc2ccsc2 240690a_100016987628_100000698588 [0,0,0,1,1,0|2,0,0]=4 5911 B16R2.2855 C[C@@H]1CCN(C1)C(=O)C=Cc2ccsc2 527a_100016987628_100000698588 [0,0,0,1,1,0|2,0,0]=4 5912 B16R2.27160 CC(C)CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210312 [0,0,0,1,1,0|2,0,0]=4 5913 B16R2.27160 CC(C)CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210312 [0,0,0,1,1,0|2,0,0]=4 5914 B16R2.27160 CC(C)CCOc1ccc2ccoc2c1 34a_100000089557_100000210312 [0,0,0,1,1,0|2,0,0]=4 5915 B16R2.27160 CC(C)CCOc1ccc2ccoc2c1 7a_100000089557_100000210626 [0,0,0,1,1,0|2,0,0]=4 5916 B16R2.27160 CC(C)CCOc1ccc2occc2c1 34a_100000070125_100000210312 [0,0,0,1,1,0|2,0,0]=4 5917 B16R2.27160 CC(C)CCOc1ccc2occc2c1 7a_100000070125_100000210626 [0,0,0,1,1,0|2,0,0]=4 5918 B16R2.27160 CC(C)CCOc1ccc2sccc2c1 34a_100012180905_100000210312 [0,0,0,1,1,0|2,0,0]=4 5919 B16R2.27160 CC(C)CCOc1ccc2sccc2c1 7a_100012180905_100000210626 [0,0,0,1,1,0|2,0,0]=4 5920 B16R2.27727 O=C(C=Cc1cccs1)NCCC2CC2 1626a_100000764129_100000182767 [0,0,0,1,1,0|2,0,0]=4 5921 B16R2.27727 O=C(C=Cc1cccs1)NCCC2CC2 240690a_100000764129_100000182767 [0,0,0,1,1,0|2,0,0]=4 5922 B16R2.27727 O=C(C=Cc1ccoc1)NCCC2CC2 1626a_100000764129_100000238621 [0,0,0,1,1,0|2,0,0]=4 5923 B16R2.27727 O=C(C=Cc1ccoc1)NCCC2CC2 240690a_100000764129_100000238621 [0,0,0,1,1,0|2,0,0]=4 5924 B16R2.27727 O=C(C=Cc1ccsc1)NCCC2CC2 1626a_100000764129_100000698588 [0,0,0,1,1,0|2,0,0]=4 5925 B16R2.27727 O=C(C=Cc1ccsc1)NCCC2CC2 240690a_100000764129_100000698588 [0,0,0,1,1,0|2,0,0]=4 5926 B16R2.27727 O=C(C=Cc1ccsc1)NCCC2CC2 527a_100000764129_100000698588 [0,0,0,1,1,0|2,0,0]=4 5927 B16R2.492 CC(C)CCSc1cc2ccccc2[nH]1 62a_100000210312_100010232065 [0,0,0,1,1,0|1,1,0]=4 5928 B16R2.492 CC(C)CCSc1cc2ccccc2o1 62a_100000210312_100010159458 [0,0,0,1,1,0|0,1,1]=4 5929 B16R2.492 CC(C)CCSc1cc2ccccc2s1 62a_100000210312_100009816949 [0,0,0,1,1,0|0,2,0]=4 5930 B16R2.2843 C[C@@H]1CCN(C1)C(=O)Nc2ccccc2 2430a_100000106764_100016987628 [0,0,0,1,1,0|2,0,0]=4 5931 B16R2.10947 O=C(NCCC1CC1)Nc2ccccc2 2430a_100000106764_100000764129 [0,0,0,1,1,0|2,0,0]=4 5932 B16R2.477 CC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000210624 [0,0,0,1,1,0|2,0,0]=4 5933 B16R2.477 CC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000210760 [0,0,0,1,1,0|2,0,0]=4 5934 B16R2.477 CC(C)CNc1ccc2ccccc2n1 27a_100000210953_100011291633 [0,0,0,1,1,0|2,0,0]=4 5935 B16R2.477 CC(C)COc1ccc2ccccc2c1 34a_100000185828_100000210624 [0,0,0,1,1,0|1,0,0]=3 5936 B16R2.477 CC(C)COc1ccc2ccccc2c1 7a_100000185828_100000210760 [0,0,0,1,1,0|1,0,0]=3 5937 B16R2.477 CC(C)COc1ccc2cccnc2c1 34a_100011216045_100000210624 [0,0,0,1,1,0|2,0,0]=4 5938 B16R2.477 CC(C)COc1ccc2ccncc2c1 7a_100000752006_100000210760 [0,0,0,1,1,0|2,0,0]=4 5939 B16R2.477 CC(C)COc1ccc2cnccc2c1 34a_100000046372_100000210624 [0,0,0,1,1,0|2,0,0]=4 5940 B16R2.477 CC(C)COc1ccc2cnccc2c1 7a_100000046372_100000210760 [0,0,0,1,1,0|2,0,0]=4 5941 B16R2.477 CC(C)COc1ccc2ncccc2c1 34a_100011215586_100000210624 [0,0,0,1,1,0|2,0,0]=4 5942 B16R2.477 CC(C)COc1ccc2ncccc2c1 7a_100011215586_100000210760 [0,0,0,1,1,0|2,0,0]=4 5943 B16R2.477 CC(C)COc1cnc2ccccc2c1 34a_100011934006_100000210624 [0,0,0,1,1,0|2,0,0]=4 5944 B16R2.477 CC(C)COc1cnc2ccccc2c1 7a_100011934006_100000210760 [0,0,0,1,1,0|2,0,0]=4 5945 B16R2.477 CC(C)CSc1ccc2ccccc2c1 62a_100000210624_100000233703 [0,0,0,1,1,0|1,1,0]=4 5946 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100000210624_100011291633 [0,0,0,1,1,0|1,1,0]=4 5947 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000210760 [0,0,0,1,1,0|1,1,0]=4 5948 B16R2.477 CC(C)NCc1ccc2ccccc2c1 207a_100138425928_100000211584 [0,0,0,1,1,0|2,0,0]=4 5949 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000210206 [0,0,0,1,1,0|2,0,0]=4 5950 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100138425928_100011216711 [0,0,0,1,1,0|2,0,0]=4 5951 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000210206 [0,0,0,1,1,0|2,0,0]=4 5952 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100138425928_100011216711 [0,0,0,1,1,0|2,0,0]=4 5953 B16R2.477 CC(C)NCc1ccc2ccccc2n1 207a_100138425928_100000759686 [0,0,0,1,1,0|2,0,0]=4 5954 B16R2.477 CC(C)NCc1ccc2ccccc2n1 2230a_100138425928_100000737579 [0,0,0,1,1,0|2,0,0]=4 5955 B16R2.477 CC(C)NCc1ccc2ccccc2n1 34a_100138425928_100000737579 [0,0,0,1,1,0|2,0,0]=4 5956 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100000212225_100011216711 [0,0,0,1,1,0|2,0,0]=4 5957 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000210206 [0,0,0,1,1,0|2,0,0]=4 5958 B16R2.477 CC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000210206 [0,0,0,1,1,0|2,0,0]=4 5959 B16R2.477 CC(C)OCc1ccc2ccccc2n1 34a_100000212225_100000737579 [0,0,0,1,1,0|2,0,0]=4 5960 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100000210206_100011216711 [0,0,0,1,1,0|2,0,0]=4 5961 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000210206 [0,0,0,1,1,0|2,0,0]=4 5962 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000210206_100000737579 [0,0,0,1,1,0|2,0,0]=4 5963 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000737579_100000210206 [0,0,0,1,1,0|2,0,0]=4 5964 B16R2.477 CC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218427 [0,0,0,1,1,0|2,0,0]=4 5965 B16R2.477 CC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218427 [0,0,0,1,1,0|2,0,0]=4 5966 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009817552 [0,0,0,1,1,0|2,0,0]=4 5967 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009817552 [0,0,0,1,1,0|2,0,0]=4 5968 B16R2.3322 CC1CC(C1)C(=O)CCc2ccccc2 1458a_100000686124_100000765856 [0,0,0,1,1,0|0,0,2]=4 5969 B16R2.3322 CC1CC(C1)C(=O)NCc2ccccc2 11a_100015324214_100000686124 [0,0,0,1,1,0|1,0,1]=4 5970 B16R2.3322 CC1CC(C1)C(=O)NCc2ccccc2 1626a_100015324214_100000686124 [0,0,0,1,1,0|1,0,1]=4 5971 B16R2.3322 CC1CC(C1)C(=O)NCc2ccccc2 240690a_100015324214_100000686124 [0,0,0,1,1,0|1,0,1]=4 5972 B16R2.3322 CC1CC(C1)C(=O)NCc2ccccc2 527a_100015324214_100000686124 [0,0,0,1,1,0|1,0,1]=4 5973 B16R2.3322 CC1CC(C1)C(=O)NNc2ccccc2 22a_100015195140_100000686124 [0,0,0,1,1,0|2,0,0]=4 5974 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccc2 11a_100000702820_100000210462 [0,0,0,1,1,0|1,0,0]=3 5975 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccn2 11a_100000702820_100000740811 [0,0,0,1,1,0|2,0,0]=4 5976 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccn2 240690a_100000702820_100000740811 [0,0,0,1,1,0|2,0,0]=4 5977 B16R2.3322 CC1CN(C1)C(=O)C=Cc2cccnc2 11a_100000702820_100000735890 [0,0,0,1,1,0|2,0,0]=4 5978 B16R2.3322 CC1CN(C1)C(=O)C=Cc2cccnc2 240690a_100000702820_100000735890 [0,0,0,1,1,0|2,0,0]=4 5979 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccncc2 240690a_100000702820_100000682801 [0,0,0,1,1,0|2,0,0]=4 5980 B16R2.3322 O=C(C=Cc1ccccc1)N2CC(C2)F 11a_100000690557_100000210462 [0,0,0,1,1,0|2,0,0]=4 5981 B16R2.3322 O=C(C=Cc1ccccc1)N2CC(C2)O 11a_100000749847_100000210462 [0,0,0,1,1,0|2,0,0]=4 5982 B16R2.44147 CC1(C[C@@H]1C(=O)CCc2ccccc2)C 1458a_100000692687_100000765856 [0,0,0,1,1,0|0,0,2]=4 5983 B16R2.44147 CC1(C[C@@H]1C(=O)NCc2ccccc2)C 11a_100015324214_100000692687 [0,0,0,1,1,0|1,0,1]=4 5984 B16R2.44147 CC1(C[C@@H]1C(=O)NCc2ccccc2)C 1626a_100015324214_100000692687 [0,0,0,1,1,0|1,0,1]=4 5985 B16R2.44147 CC1(C[C@@H]1C(=O)NCc2ccccc2)C 240690a_100015324214_100000692687 [0,0,0,1,1,0|1,0,1]=4 5986 B16R2.44147 CC1(C[C@@H]1C(=O)NCc2ccccc2)C 527a_100015324214_100000692687 [0,0,0,1,1,0|1,0,1]=4 5987 B16R2.44147 CC1(C[C@@H]1C(=O)NNc2ccccc2)C 22a_100015195140_100000692687 [0,0,0,1,1,0|2,0,0]=4 5988 B16R2.249076 CC(C)CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210312 [0,0,0,1,1,0|0,0,2]=4 5989 B18R2.3723 CN1CCC(C1)CC(=O)C=Cc2ccccc2 1458a_100000210462_200000690779 [0,0,0,1,0,1|2,0,0]=4 5990 B18R2.3723 CN1CCC(C1)NC(=O)C=Cc2ccccc2 1626a_100000744687_100000210462 [0,0,0,1,0,1|2,0,0]=4 5991 B18R2.3723 O=C(C=Cc1ccccc1)N[C@H]2CC[C@H](C2)O 1626a_100015195300_100000210462 [0,0,0,1,0,1|2,0,0]=4 5992 B18R2.4645 CC1CC1COCC(=O)CCc2ccccc2 34a_100000744939_100012361361 [0,0,0,1,0,1|0,0,2]=4 5993 B18R2.4645 CC1CC1COCC(=O)CCc2ccccc2 7a_100000744939_100012361361 [0,0,0,1,0,1|0,0,2]=4 5994 B18R2.4645 CC1CC1COCC(=O)NCc2ccccc2 34a_100000744939_100000183539 [0,0,0,1,0,1|1,0,1]=4 5995 B18R2.4645 CC1CC1COCC(=O)NCc2ccccc2 7a_100000744939_100000183539 [0,0,0,1,0,1|1,0,1]=4 5996 B18R2.4645 CC1CC1COCC(=O)OCc2ccccc2 34a_100000744939_100000753625 [0,0,0,1,0,1|1,0,1]=4 5997 B18R2.4645 CC1CC1COCC(=O)OCc2ccccc2 7a_100000744939_100000753625 [0,0,0,1,0,1|1,0,1]=4 5998 B18R2.6420 O=C(C=Cc1ccccc1)NCC2CC(C2)O 11a_100016992100_100000210462 [0,0,0,1,0,1|2,0,0]=4 5999 B18R2.6463 CC1=CCCN(C1)C(=O)C=Cc2ccccc2 11a_100000725631_100000210462 [0,0,0,1,0,1|1,0,1]=4 6000 B18R2.6463 CC1=CCCN(C1)C(=O)C=Cc2ccccc2 1626a_100000725631_100000210462 [0,0,0,1,0,1|1,0,1]=4 6001 B18R2.6463 CC1CN(CCO1)C(=O)C=Cc2ccccc2 11a_100000729577_100000210462 [0,0,0,1,0,1|1,0,0]=3 6002 B18R2.6463 CC1CN(CCO1)C(=O)C=Cc2ccccc2 1626a_100000729577_100000210462 [0,0,0,1,0,1|1,0,0]=3 6003 B18R2.6463 CC1CN(CCO1)C(=O)C=Cc2ccccn2 11a_100000729577_100000740811 [0,0,0,1,0,1|2,0,0]=4 6004 B18R2.6463 CC1CN(CCO1)C(=O)C=Cc2ccccn2 240690a_100000729577_100000740811 [0,0,0,1,0,1|2,0,0]=4 6005 B18R2.6463 CC1CN(CCO1)C(=O)C=Cc2cccnc2 11a_100000729577_100000735890 [0,0,0,1,0,1|2,0,0]=4 6006 B18R2.6463 CC1CN(CCO1)C(=O)C=Cc2cccnc2 240690a_100000729577_100000735890 [0,0,0,1,0,1|2,0,0]=4 6007 B18R2.6463 CC1CN(CCO1)C(=O)C=Cc2ccncc2 240690a_100000729577_100000682801 [0,0,0,1,0,1|2,0,0]=4 6008 B18R2.6463 C[C@H]1CCCN(C1)C(=O)C=Cc2ccccc2 11a_100000717927_100000210462 [0,0,0,1,0,1|1,0,0]=3 6009 B18R2.6463 C[C@H]1CCCN(C1)C(=O)C=Cc2ccccn2 11a_100000717927_100000740811 [0,0,0,1,0,1|2,0,0]=4 6010 B18R2.6463 C[C@H]1CCCN(C1)C(=O)C=Cc2ccccn2 240690a_100000717927_100000740811 [0,0,0,1,0,1|2,0,0]=4 6011 B18R2.6463 C[C@H]1CCCN(C1)C(=O)C=Cc2cccnc2 11a_100000717927_100000735890 [0,0,0,1,0,1|2,0,0]=4 6012 B18R2.6463 C[C@H]1CCCN(C1)C(=O)C=Cc2cccnc2 240690a_100000717927_100000735890 [0,0,0,1,0,1|2,0,0]=4 6013 B18R2.6463 C[C@H]1CCCN(C1)C(=O)C=Cc2ccncc2 240690a_100000717927_100000682801 [0,0,0,1,0,1|2,0,0]=4 6014 B18R2.6463 O=C(C=Cc1ccccc1)N2CCCC(C2)F 11a_100000697950_100000210462 [0,0,0,1,0,1|2,0,0]=4 6015 B18R2.6463 O=C(C=Cc1ccccc1)N2CCCC(C2)F 1626a_100000697950_100000210462 [0,0,0,1,0,1|2,0,0]=4 6016 B18R2.6463 O=C(C=Cc1ccccc1)N2CCOC(C2)O 11a_100000688207_100000210462 [0,0,0,1,0,1|2,0,0]=4 6017 B18R2.6573 CC(C)CCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210312 [0,0,0,1,0,1|2,0,0]=4 6018 B18R2.6573 CC(C)CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210312 [0,0,0,1,0,1|2,0,0]=4 6019 B18R2.6573 CC(C)CCNc1c(ccc2c1cccc2)O 34a_100000007056_100000210312 [0,0,0,1,0,1|1,0,1]=4 6020 B18R2.6573 CC(C)CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000210312 [0,0,0,1,0,1|1,0,0]=3 6021 B18R2.6573 CC(C)CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000210626 [0,0,0,1,0,1|1,0,0]=3 6022 B18R2.6573 CC(C)CCOc1c(ccc2c1cccc2)N 34a_100000007060_100000210312 [0,0,0,1,0,1|1,0,0]=3 6023 B18R2.6573 CC(C)CCOc1c(ccc2c1nccc2)Br 34a_100009816563_100000210312 [0,0,0,1,0,1|2,0,0]=4 6024 B18R2.6573 CC(C)CCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100000210312 [0,0,0,1,0,1|2,0,0]=4 6025 B18R2.6573 CC(C)CCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100000210626 [0,0,0,1,0,1|2,0,0]=4 6026 B18R2.6573 CC(C)CCSc1c(ccc2c1cccc2)Br 62a_100000210312_100010090040 [0,0,0,1,0,1|1,1,0]=4 6027 B18R2.6573 CC(C)CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210312 [0,0,0,1,0,1|1,1,0]=4 6028 B18R2.6573 CC(C)CCSc1c(ccc2c1cccc2)N 62a_100000210312_100000705303 [0,0,0,1,0,1|1,1,0]=4 6029 B18R2.6573 CC(C)CCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210312 [0,0,0,1,0,1|1,1,0]=4 6030 B18R2.6573 CC(C)CCSc1c(ccc2c1cccc2)O 62a_100000210312_100000183829 [0,0,0,1,0,1|0,1,1]=4 6031 B18R2.6573 CC(C)CNCc1c(ccc2c1cccc2)Br 207a_100000210953_100010090029 [0,0,0,1,0,1|2,0,0]=4 6032 B18R2.6573 CC(C)CNCc1c(ccc2c1cccc2)Br 26a_100000210953_100009996032 [0,0,0,1,0,1|2,0,0]=4 6033 B18R2.6573 CC(C)CNCc1c(ccc2c1cccc2)Br 270004a_100000210953_100010090029 [0,0,0,1,0,1|2,0,0]=4 6034 B18R2.6573 CC(C)OCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000709892 [0,0,0,1,0,1|2,0,0]=4 6035 B18R2.6573 CC(C)OCOc1c(ccc2c1cccc2)N 34a_100000007060_100000709892 [0,0,0,1,0,1|2,0,0]=4 6036 B18R2.6573 CC(O)CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100012276601 [0,0,0,1,0,1|2,0,0]=4 6037 B18R2.6573 CC(O)CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100012276601 [0,0,0,1,0,1|2,0,0]=4 6038 B18R2.6573 CC(O)CCOc1c(ccc2c1cccc2)N 34a_100000007060_100012276601 [0,0,0,1,0,1|2,0,0]=4 6039 B18R2.6573 CN(C)CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000755713 [0,0,0,1,0,1|2,0,0]=4 6040 B18R2.6573 Cc1ccc2ccccc2c1CNCC(C)C 207a_100000210953_100011361466 [0,0,0,1,0,1|2,0,0]=4 6041 B18R2.6573 Cc1ccc2ccccc2c1CNCC(C)C 2230a_100000210953_100000689653 [0,0,0,1,0,1|2,0,0]=4 6042 B18R2.6573 Cc1ccc2ccccc2c1CNCC(C)C 270004a_100000210953_100011361466 [0,0,0,1,0,1|2,0,0]=4 6043 B18R2.6573 Cc1ccc2ccccc2c1CNCC(C)C 34a_100000210953_100000689653 [0,0,0,1,0,1|2,0,0]=4 6044 B18R2.6573 Cc1ccc2ccccc2c1COCC(C)C 34a_100000210257_100000689653 [0,0,0,1,0,1|2,0,0]=4 6045 B18R2.6573 Cc1ccc2ccccc2c1CSCC(C)C 62a_100000210624_100000689653 [0,0,0,1,0,1|2,0,0]=4 6046 B18R2.6573 Cc1ccc2ccccc2c1CSCC(C)C 62a_100000689653_100000210760 [0,0,0,1,0,1|2,0,0]=4 6047 B18R2.6573 Cc1ccc2ccccc2c1NCCC(C)C 34a_100000688109_100000210312 [0,0,0,1,0,1|2,0,0]=4 6048 B18R2.6573 Cc1ccc2ccccc2c1OCCC(C)C 34a_100000039261_100000210312 [0,0,0,1,0,1|1,0,0]=3 6049 B18R2.6573 Cc1ccc2ccccc2c1OCCC(C)C 7a_100000039261_100000210626 [0,0,0,1,0,1|1,0,0]=3 6050 B18R2.6573 Cc1ccc2ccccc2c1OCCC(C)O 34a_100000039261_100012276601 [0,0,0,1,0,1|2,0,0]=4 6051 B18R2.6573 Cc1ccc2ccccc2c1OCCC(C)O 7a_100000039261_100012276601 [0,0,0,1,0,1|2,0,0]=4 6052 B18R2.6573 Cc1ccc2ccccc2c1OCCN(C)C 7a_100000039261_100000755713 [0,0,0,1,0,1|2,0,0]=4 6053 B18R2.6573 Cc1ccc2ccccc2c1OCOC(C)C 34a_100000039261_100000709892 [0,0,0,1,0,1|2,0,0]=4 6054 B18R2.6573 Cc1ccc2ccccc2c1SCCC(C)C 62a_100000210312_100000759710 [0,0,0,1,0,1|1,1,0]=4 6055 B18R2.6573 Cc1ccc2ccccc2c1SCCC(C)C 62a_100000759710_100000210312 [0,0,0,1,0,1|1,1,0]=4 6056 B18R2.9880 CC(C)Cc1nc(no1)C=Cc2ccccc2 270196a_100000735103_100000210554 [0,0,0,1,0,1|1,0,1]=4 6057 B18R2.9909 CC(=CCCOc1ccc2ccccc2c1)C 34a_100000185828_100011217483 [0,0,0,1,0,1|1,0,1]=4 6058 B18R2.9909 CC(=CCCOc1ccc2ccccc2c1)C 7a_100000185828_100011217483 [0,0,0,1,0,1|1,0,1]=4 6059 B18R2.9909 CC(Br)CCOCc1ccc2ccccc2c1 34a_100009893172_100011216711 [0,0,0,1,0,1|2,0,0]=4 6060 B18R2.9909 CC(Br)CCOCc1ccc2ccccc2n1 34a_100009893172_100000737579 [0,0,0,1,0,1|2,0,0]=4 6061 B18R2.9909 CC(C)CCCNc1ccc2ccccc2c1 34a_100000211940_100011214892 [0,0,0,1,0,1|2,0,0]=4 6062 B18R2.9909 CC(C)CCCNc1ccc2ccccc2c1 7a_100000211940_100011214892 [0,0,0,1,0,1|2,0,0]=4 6063 B18R2.9909 CC(C)CCCNc1ccc2ccccc2n1 27a_200000737386_100011291633 [0,0,0,1,0,1|2,0,0]=4 6064 B18R2.9909 CC(C)CCCOc1ccc2ccccc2c1 34a_100000185828_100011214892 [0,0,0,1,0,1|1,0,0]=3 6065 B18R2.9909 CC(C)CCCOc1ccc2ccccc2c1 7a_100000185828_100011214892 [0,0,0,1,0,1|1,0,0]=3 6066 B18R2.9909 CC(C)CCCOc1ccc2cccnc2c1 34a_100011216045_100011214892 [0,0,0,1,0,1|2,0,0]=4 6067 B18R2.9909 CC(C)CCCOc1ccc2ccncc2c1 7a_100000752006_100011214892 [0,0,0,1,0,1|2,0,0]=4 6068 B18R2.9909 CC(C)CCCOc1ccc2cnccc2c1 34a_100000046372_100011214892 [0,0,0,1,0,1|2,0,0]=4 6069 B18R2.9909 CC(C)CCCOc1ccc2cnccc2c1 7a_100000046372_100011214892 [0,0,0,1,0,1|2,0,0]=4 6070 B18R2.9909 CC(C)CCCOc1ccc2ncccc2c1 34a_100011215586_100011214892 [0,0,0,1,0,1|2,0,0]=4 6071 B18R2.9909 CC(C)CCCOc1ccc2ncccc2c1 7a_100011215586_100011214892 [0,0,0,1,0,1|2,0,0]=4 6072 B18R2.9909 CC(C)CCCOc1cnc2ccccc2c1 34a_100011934006_100011214892 [0,0,0,1,0,1|2,0,0]=4 6073 B18R2.9909 CC(C)CCCOc1cnc2ccccc2c1 7a_100011934006_100011214892 [0,0,0,1,0,1|2,0,0]=4 6074 B18R2.9909 CC(C)CCCSc1ccc2ccccc2c1 62a_100011214892_100000233703 [0,0,0,1,0,1|1,1,0]=4 6075 B18R2.9909 CC(C)CCCSc1ccc2ccccc2n1 62a_100011214892_100011291633 [0,0,0,1,0,1|1,1,0]=4 6076 B18R2.9909 CC(C)CCCSc1ccc2ccccc2n1 62a_100011291633_100011214892 [0,0,0,1,0,1|1,1,0]=4 6077 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 207a_100000210545_100000211584 [0,0,0,1,0,1|2,0,0]=4 6078 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210312 [0,0,0,1,0,1|2,0,0]=4 6079 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 269862a_100000739491_100000185833 [0,0,0,1,0,1|2,0,0]=4 6080 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 270004a_100000210545_100000211584 [0,0,0,1,0,1|2,0,0]=4 6081 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 34a_100000739491_100000210312 [0,0,0,1,0,1|2,0,0]=4 6082 B18R2.9909 CC(C)CCNCc1ccc2ccccc2n1 207a_100000210545_100000759686 [0,0,0,1,0,1|2,0,0]=4 6083 B18R2.9909 CC(C)CCNCc1ccc2ccccc2n1 270004a_100000210545_100000759686 [0,0,0,1,0,1|2,0,0]=4 6084 B18R2.9909 CC(C)CCOCc1cc2ccccc2cn1 34a_100000210254_100009869231 [0,0,0,1,0,1|2,0,0]=4 6085 B18R2.9909 CC(C)CCOCc1cc2ccccc2cn1 7a_100000210254_100009869231 [0,0,0,1,0,1|2,0,0]=4 6086 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 34a_100000210254_100011216711 [0,0,0,1,0,1|1,0,0]=3 6087 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 34a_100011215330_100000210312 [0,0,0,1,0,1|1,0,0]=3 6088 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 7a_100000210254_100011216711 [0,0,0,1,0,1|1,0,0]=3 6089 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 7a_100011215330_100000210626 [0,0,0,1,0,1|1,0,0]=3 6090 B18R2.9909 CC(C)CCOCc1ccc2ccccc2n1 34a_100000210254_100000737579 [0,0,0,1,0,1|1,0,0]=3 6091 B18R2.9909 CC(C)CCOCc1ccc2ccccc2n1 7a_100000210254_100000737579 [0,0,0,1,0,1|1,0,0]=3 6092 B18R2.9909 CC(C)CCOCc1ccc2cnccc2c1 34a_100000210254_100020605334 [0,0,0,1,0,1|2,0,0]=4 6093 B18R2.9909 CC(C)CCOCc1ccc2cnccc2c1 7a_100000210254_100020605334 [0,0,0,1,0,1|2,0,0]=4 6094 B18R2.9909 CC(C)CCOCc1ccc2ncccc2c1 34a_100000210254_100000703657 [0,0,0,1,0,1|2,0,0]=4 6095 B18R2.9909 CC(C)CCOCc1ccc2ncccc2c1 34a_100011315636_100000210312 [0,0,0,1,0,1|2,0,0]=4 6096 B18R2.9909 CC(C)CCOCc1ccc2ncccc2c1 7a_100000210254_100000703657 [0,0,0,1,0,1|2,0,0]=4 6097 B18R2.9909 CC(C)CCOCc1cnc2ccccc2c1 34a_100011258773_100000210312 [0,0,0,1,0,1|2,0,0]=4 6098 B18R2.9909 CC(C)CCOCc1cnc2ccccc2n1 7a_100000210254_200000751123 [0,0,0,1,0,1|2,0,0]=4 6099 B18R2.9909 CC(C)CCOCc1ncc2ccccc2n1 34a_100000210254_100009868571 [0,0,0,1,0,1|2,0,0]=4 6100 B18R2.9909 CC(C)CCOCc1ncc2ccccc2n1 7a_100000210254_100009868571 [0,0,0,1,0,1|2,0,0]=4 6101 B18R2.9909 CC(C)CCSCc1ccc2ccccc2c1 62a_100000210312_100011216711 [0,0,0,1,0,1|1,1,0]=4 6102 B18R2.9909 CC(C)CCSCc1ccc2ccccc2c1 62a_100011216711_100000210312 [0,0,0,1,0,1|1,1,0]=4 6103 B18R2.9909 CC(C)CCSCc1ccc2ccccc2n1 62a_100000210312_100000737579 [0,0,0,1,0,1|1,1,0]=4 6104 B18R2.9909 CC(C)CCSCc1ccc2ccccc2n1 62a_100000737579_100000210312 [0,0,0,1,0,1|1,1,0]=4 6105 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 2230a_100000746582_100000210760 [0,0,0,1,0,1|2,0,0]=4 6106 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 270004a_100000746582_100000210432 [0,0,0,1,0,1|2,0,0]=4 6107 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 34a_100000746582_100000210624 [0,0,0,1,0,1|2,0,0]=4 6108 B18R2.9909 CC(C)CNCCc1ccc2ccccc2n1 270004a_100011238595_100000210432 [0,0,0,1,0,1|2,0,0]=4 6109 B18R2.9909 CC(C)COCCc1ccc2ccccc2c1 34a_100000755654_100000210624 [0,0,0,1,0,1|2,0,0]=4 6110 B18R2.9909 CC(C)COCCc1ccc2ccccc2c1 7a_100000755654_100000210760 [0,0,0,1,0,1|2,0,0]=4 6111 B18R2.9909 CC(C)COCCc1ccc2ccccc2n1 34a_100011996444_100000210624 [0,0,0,1,0,1|2,0,0]=4 6112 B18R2.9909 CC(C)OCCNc1ccc2ccccc2c1 34a_100000211940_100000211751 [0,0,0,1,0,1|2,0,0]=4 6113 B18R2.9909 CC(C)OCCNc1ccc2ccccc2c1 7a_100000211940_100000211751 [0,0,0,1,0,1|2,0,0]=4 6114 B18R2.9909 CC(C)OCCNc1ccc2ccccc2n1 27a_100000701111_100011291633 [0,0,0,1,0,1|2,0,0]=4 6115 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 34a_100000185828_100000211751 [0,0,0,1,0,1|1,0,0]=3 6116 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 34a_200011219602_100000210206 [0,0,0,1,0,1|1,0,0]=3 6117 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 7a_100000185828_100000211751 [0,0,0,1,0,1|1,0,0]=3 6118 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 7a_200011219602_100000210206 [0,0,0,1,0,1|1,0,0]=3 6119 B18R2.9909 CC(C)OCCOc1ccc2cccnc2c1 34a_100011216045_100000211751 [0,0,0,1,0,1|2,0,0]=4 6120 B18R2.9909 CC(C)OCCOc1ccc2ccncc2c1 7a_100000752006_100000211751 [0,0,0,1,0,1|2,0,0]=4 6121 B18R2.9909 CC(C)OCCOc1ccc2cnccc2c1 34a_100000046372_100000211751 [0,0,0,1,0,1|2,0,0]=4 6122 B18R2.9909 CC(C)OCCOc1ccc2cnccc2c1 7a_100000046372_100000211751 [0,0,0,1,0,1|2,0,0]=4 6123 B18R2.9909 CC(C)OCCOc1ccc2ncccc2c1 34a_100011215586_100000211751 [0,0,0,1,0,1|2,0,0]=4 6124 B18R2.9909 CC(C)OCCOc1ccc2ncccc2c1 7a_100011215586_100000211751 [0,0,0,1,0,1|2,0,0]=4 6125 B18R2.9909 CC(C)OCCOc1cnc2ccccc2c1 34a_100011934006_100000211751 [0,0,0,1,0,1|2,0,0]=4 6126 B18R2.9909 CC(C)OCCOc1cnc2ccccc2c1 7a_100011934006_100000211751 [0,0,0,1,0,1|2,0,0]=4 6127 B18R2.9909 CC(C)OCCSc1ccc2ccccc2c1 62a_100000211751_100000233703 [0,0,0,1,0,1|1,1,0]=4 6128 B18R2.9909 CC(C)OCCSc1ccc2ccccc2n1 62a_100000211751_100011291633 [0,0,0,1,0,1|1,1,0]=4 6129 B18R2.9909 CC(C)OCCSc1ccc2ccccc2n1 62a_100011291633_100000211751 [0,0,0,1,0,1|1,1,0]=4 6130 B18R2.9909 CC(C)OCOCc1ccc2ccccc2c1 34a_100011215330_100000709892 [0,0,0,1,0,1|2,0,0]=4 6131 B18R2.9909 CC(C)SCCNc1ccc2ccccc2c1 34a_100000211940_100000730970 [0,0,0,1,0,1|2,0,0]=4 6132 B18R2.9909 CC(C)SCCNc1ccc2ccccc2c1 7a_100000211940_100000730970 [0,0,0,1,0,1|2,0,0]=4 6133 B18R2.9909 CC(C)SCCNc1ccc2ccccc2n1 27a_100000731138_100011291633 [0,0,0,1,0,1|2,0,0]=4 6134 B18R2.9909 CC(C)SCCOc1ccc2ccccc2c1 34a_100000185828_100000730970 [0,0,0,1,0,1|1,0,0]=3 6135 B18R2.9909 CC(C)SCCOc1ccc2ccccc2c1 7a_100000185828_100000730970 [0,0,0,1,0,1|1,0,0]=3 6136 B18R2.9909 CC(C)SCCOc1ccc2cccnc2c1 34a_100011216045_100000730970 [0,0,0,1,0,1|2,0,0]=4 6137 B18R2.9909 CC(C)SCCOc1ccc2ccncc2c1 7a_100000752006_100000730970 [0,0,0,1,0,1|2,0,0]=4 6138 B18R2.9909 CC(C)SCCOc1ccc2cnccc2c1 34a_100000046372_100000730970 [0,0,0,1,0,1|2,0,0]=4 6139 B18R2.9909 CC(C)SCCOc1ccc2cnccc2c1 7a_100000046372_100000730970 [0,0,0,1,0,1|2,0,0]=4 6140 B18R2.9909 CC(C)SCCOc1ccc2ncccc2c1 34a_100011215586_100000730970 [0,0,0,1,0,1|2,0,0]=4 6141 B18R2.9909 CC(C)SCCOc1ccc2ncccc2c1 7a_100011215586_100000730970 [0,0,0,1,0,1|2,0,0]=4 6142 B18R2.9909 CC(C)SCCOc1cnc2ccccc2c1 34a_100011934006_100000730970 [0,0,0,1,0,1|2,0,0]=4 6143 B18R2.9909 CC(C)SCCOc1cnc2ccccc2c1 7a_100011934006_100000730970 [0,0,0,1,0,1|2,0,0]=4 6144 B18R2.9909 CC(C)SCCSc1ccc2ccccc2c1 62a_100000730970_100000233703 [0,0,0,1,0,1|1,1,0]=4 6145 B18R2.9909 CC(C)SCCSc1ccc2ccccc2n1 62a_100000730970_100011291633 [0,0,0,1,0,1|1,1,0]=4 6146 B18R2.9909 CC(C)SCCSc1ccc2ccccc2n1 62a_100011291633_100000730970 [0,0,0,1,0,1|1,1,0]=4 6147 B18R2.9909 CC(O)CCCOc1ccc2ccccc2c1 34a_100000185828_200000718107 [0,0,0,1,0,1|2,0,0]=4 6148 B18R2.9909 CC(O)CCCOc1ccc2ccccc2c1 7a_100000185828_200000718107 [0,0,0,1,0,1|2,0,0]=4 6149 B18R2.9909 CC(O)CCOCc1ccc2ccccc2c1 34a_100011215330_100012276601 [0,0,0,1,0,1|2,0,0]=4 6150 B18R2.9909 CC(O)CCOCc1ccc2ccccc2c1 7a_100011215330_100012276601 [0,0,0,1,0,1|2,0,0]=4 6151 B18R2.9909 CN(C)CCCOc1ccc2ccccc2c1 2230a_100102631434_100000750887 [0,0,0,1,0,1|2,0,0]=4 6152 B18R2.9909 CN(C)CCCOc1ccc2ccccc2c1 269982a_100102631434_100000750887 [0,0,0,1,0,1|2,0,0]=4 6153 B18R2.9909 CN(C)CCCOc1ccc2ccccc2c1 7a_100000185828_100000757444 [0,0,0,1,0,1|2,0,0]=4 6154 B18R2.9909 CN(C)CCOCc1ccc2ccccc2c1 7a_100011215330_100000755713 [0,0,0,1,0,1|2,0,0]=4 6155 B18R2.9909 C[C@@H](N)CCOCc1ccc2ccccc2c1 34a_100000706166_100011216711 [0,0,0,1,0,1|2,0,0]=4 6156 B18R2.9909 C[C@@H](N)CCOCc1ccc2ccccc2n1 34a_100000706166_100000737579 [0,0,0,1,0,1|2,0,0]=4 6157 B18R2.11739 CC1(CCCN1C(=O)C=Cc2ccccc2)C 11a_100000761399_100000210462 [0,0,0,1,0,1|1,0,0]=3 6158 B18R2.11739 CC1(CCCN1C(=O)C=Cc2ccccc2)C 1626a_100000761399_100000210462 [0,0,0,1,0,1|1,0,0]=3 6159 B18R2.11739 CC1(CCCN1C(=O)C=Cc2ccccn2)C 11a_100000761399_100000740811 [0,0,0,1,0,1|2,0,0]=4 6160 B18R2.11739 CC1(CCCN1C(=O)C=Cc2ccccn2)C 240690a_100000761399_100000740811 [0,0,0,1,0,1|2,0,0]=4 6161 B18R2.11739 CC1(CCCN1C(=O)C=Cc2cccnc2)C 11a_100000761399_100000735890 [0,0,0,1,0,1|2,0,0]=4 6162 B18R2.11739 CC1(CCCN1C(=O)C=Cc2cccnc2)C 240690a_100000761399_100000735890 [0,0,0,1,0,1|2,0,0]=4 6163 B18R2.11739 CC1(CCCN1C(=O)C=Cc2ccncc2)C 240690a_100000761399_100000682801 [0,0,0,1,0,1|2,0,0]=4 6164 B18R2.11739 CC1(COCN1C(=O)C=Cc2ccccc2)C 1626a_100000043020_100000210462 [0,0,0,1,0,1|1,0,0]=3 6165 B18R2.11739 CC1(COCN1C(=O)C=Cc2ccccn2)C 240690a_100000043020_100000740811 [0,0,0,1,0,1|2,0,0]=4 6166 B18R2.11739 CC1(COCN1C(=O)C=Cc2cccnc2)C 240690a_100000043020_100000735890 [0,0,0,1,0,1|2,0,0]=4 6167 B18R2.11739 CC1(COCN1C(=O)C=Cc2ccncc2)C 240690a_100000043020_100000682801 [0,0,0,1,0,1|2,0,0]=4 6168 B18R2.11739 CC1(SCCN1C(=O)C=Cc2ccccc2)C 11a_100011217261_100000210462 [0,0,0,1,0,1|1,0,0]=3 6169 B18R2.11739 CC1(SCCN1C(=O)C=Cc2ccccc2)C 1626a_100011217261_100000210462 [0,0,0,1,0,1|1,0,0]=3 6170 B18R2.11739 CC1(SCCN1C(=O)C=Cc2ccccn2)C 11a_100011217261_100000740811 [0,0,0,1,0,1|2,0,0]=4 6171 B18R2.11739 CC1(SCCN1C(=O)C=Cc2ccccn2)C 240690a_100011217261_100000740811 [0,0,0,1,0,1|2,0,0]=4 6172 B18R2.11739 CC1(SCCN1C(=O)C=Cc2cccnc2)C 11a_100011217261_100000735890 [0,0,0,1,0,1|2,0,0]=4 6173 B18R2.11739 CC1(SCCN1C(=O)C=Cc2cccnc2)C 240690a_100011217261_100000735890 [0,0,0,1,0,1|2,0,0]=4 6174 B18R2.11739 CC1(SCCN1C(=O)C=Cc2ccncc2)C 240690a_100011217261_100000682801 [0,0,0,1,0,1|2,0,0]=4 6175 B18R2.72736 O=C(CCc1ccccc1)COCCC2CC2 34a_100000754188_100012361361 [0,0,0,1,0,1|0,0,2]=4 6176 B18R2.72736 O=C(CCc1ccccc1)COCCC2CC2 7a_100000754188_100012361361 [0,0,0,1,0,1|0,0,2]=4 6177 B18R2.72736 O=C(COCCC1CC1)NCc2ccccc2 34a_100000754188_100000183539 [0,0,0,1,0,1|1,0,1]=4 6178 B18R2.72736 O=C(COCCC1CC1)NCc2ccccc2 7a_100000754188_100000183539 [0,0,0,1,0,1|1,0,1]=4 6179 B18R2.72736 O=C(COCCC1CC1)OCc2ccccc2 34a_100000754188_100000753625 [0,0,0,1,0,1|1,0,1]=4 6180 B18R2.72736 O=C(COCCC1CC1)OCc2ccccc2 7a_100000754188_100000753625 [0,0,0,1,0,1|1,0,1]=4 6181 B18R2.3732 CN1CCC(C1)C(=O)C/C=C/c2ccccc2 1458a_100000739633_100016265936 [0,0,0,1,0,1|2,0,0]=4 6182 B18R2.3732 C[C@@H]1CCN(C1)C(=O)C/C=C/c2ccccc2 11a_100016987628_100011219626 [0,0,0,1,0,1|1,0,0]=3 6183 B18R2.3732 C[C@@H]1CCN(C1)C(=O)C/C=C/c2ccccc2 240690a_100016987628_100011219626 [0,0,0,1,0,1|1,0,0]=3 6184 B18R2.3732 C[C@@H]1CCN(C1)C(=O)C=CSc2ccccc2 11a_100016987628_100016262050 [0,0,0,1,0,1|1,0,0]=3 6185 B18R2.3732 C[C@@H]1CCN(C1)C(=O)C=CSc2ccccc2 240690a_100016987628_100016262050 [0,0,0,1,0,1|1,0,0]=3 6186 B18R2.3732 O=C(C/C=C/c1ccccc1)C2CCC(C2)O 1458a_100000688591_100016265936 [0,0,0,1,0,1|2,0,0]=4 6187 B18R2.3732 O=C(C/C=C/c1ccccc1)N2CCC(C2)O 240690a_100011215560_100011219626 [0,0,0,1,0,1|2,0,0]=4 6188 B18R2.3732 O=C(C/C=C/c1ccccc1)N2CC[C@@H](C2)F 11a_100015203821_100011219626 [0,0,0,1,0,1|2,0,0]=4 6189 B18R2.3732 O=C(C/C=C/c1ccccc1)N2CC[C@@H](C2)F 1626a_100015203821_100011219626 [0,0,0,1,0,1|2,0,0]=4 6190 B18R2.3732 O=C(C/C=C/c1ccccc1)N2CC[C@@H](C2)F 240690a_100015203821_100011219626 [0,0,0,1,0,1|2,0,0]=4 6191 B18R2.3732 O=C(C=CSc1ccccc1)N2CCC(C2)O 240690a_100011215560_100016262050 [0,0,0,1,0,1|2,0,0]=4 6192 B18R2.3732 O=C(C=CSc1ccccc1)N2CC[C@@H](C2)F 11a_100015203821_100016262050 [0,0,0,1,0,1|2,0,0]=4 6193 B18R2.3732 O=C(C=CSc1ccccc1)N2CC[C@@H](C2)F 1626a_100015203821_100016262050 [0,0,0,1,0,1|2,0,0]=4 6194 B18R2.3732 O=C(C=CSc1ccccc1)N2CC[C@@H](C2)F 240690a_100015203821_100016262050 [0,0,0,1,0,1|2,0,0]=4 6195 B18R2.7034 CC(C)CCNc1nc(cs1)c2ccccc2 27a_100000210545_100011830410 [0,0,0,1,0,1|2,0,0]=4 6196 B18R2.7034 CC(C)CCNc1ncc(o1)c2ccccc2 27a_100000210545_100000729704 [0,0,0,1,0,1|1,0,1]=4 6197 B18R2.7034 CC(C)CCNc1ncc(s1)c2ccccc2 27a_100000210545_100000685549 [0,0,0,1,0,1|1,1,0]=4 6198 B18R2.7034 CC(C)CCSc1c[nH]c(n1)c2ccccc2 62a_100000210312_200010210587 [0,0,0,1,0,1|1,1,0]=4 6199 B18R2.7034 CC(C)CCSc1c[nH]c(n1)c2ccccc2 62a_200010210587_100000210312 [0,0,0,1,0,1|1,1,0]=4 6200 B18R2.7034 CC(C)CCSc1ccc(s1)c2ccccc2 62a_100000210312_100009814279 [0,0,0,1,0,1|0,2,0]=4 6201 B18R2.7034 CC(C)CCSc1ccc(s1)c2ccccc2 62a_100009814279_100000210312 [0,0,0,1,0,1|0,2,0]=4 6202 B18R2.7034 CC(C)CCSc1cnc(o1)c2ccccc2 62a_100000210312_100009814072 [0,0,0,1,0,1|0,1,1]=4 6203 B18R2.7034 CC(C)CCSc1cnc(s1)c2ccccc2 62a_100000210312_100000726391 [0,0,0,1,0,1|0,2,0]=4 6204 B18R2.7034 CC(C)CCSc1cnc(s1)c2ccccc2 62a_100000726391_100000210312 [0,0,0,1,0,1|0,2,0]=4 6205 B18R2.7034 CC(C)CCSc1coc(n1)c2ccccc2 62a_100000210312_100010163736 [0,0,0,1,0,1|1,1,0]=4 6206 B18R2.7034 CC(C)CCSc1coc(n1)c2ccccc2 62a_100010163736_100000210312 [0,0,0,1,0,1|1,1,0]=4 6207 B18R2.7034 CC(C)CCSc1nc(cs1)c2ccccc2 62a_100000210312_100011830410 [0,0,0,1,0,1|1,1,0]=4 6208 B18R2.7034 CC(C)CCSc1nc(cs1)c2ccccc2 62a_100011830410_100000210312 [0,0,0,1,0,1|1,1,0]=4 6209 B18R2.7034 CC(C)CCSc1ncc(o1)c2ccccc2 62a_100000210312_100000729704 [0,0,0,1,0,1|0,1,1]=4 6210 B18R2.7034 CC(C)CCSc1ncc(s1)c2ccccc2 62a_100000210312_100000685549 [0,0,0,1,0,1|0,2,0]=4 6211 B18R2.7034 CC(C)CCSc1ncc(s1)c2ccccc2 62a_100000685549_100000210312 [0,0,0,1,0,1|0,2,0]=4 6212 B18R2.7182 CC(C)CCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100011214892 [0,0,0,1,0,1|1,0,0]=3 6213 B18R2.7182 CC(C)CCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100011214892 [0,0,0,1,0,1|1,0,0]=3 6214 B18R2.7182 CC(C)CCNC(=O)C1=CCc2c1cccc2 11a_100000210545_100000037392 [0,0,0,1,0,1|1,0,0]=3 6215 B18R2.7182 CC(C)CCNC(=O)C1=CCc2c1cccc2 1626a_100000210545_100000037392 [0,0,0,1,0,1|1,0,0]=3 6216 B18R2.7182 CC(C)CCNC(=O)C1=CCc2c1cccc2 240690a_100000210545_100000037392 [0,0,0,1,0,1|1,0,0]=3 6217 B18R2.7182 CC(C)CCNC(=O)C1C=Cc2c1cccc2 1626a_100000210545_200009832160 [0,0,0,1,0,1|1,0,0]=3 6218 B18R2.7182 CC(C)CCNC(=O)C1C=Cc2c1cccc2 240690a_100000210545_200009832160 [0,0,0,1,0,1|1,0,0]=3 6219 B18R2.7182 CC(C)CCNC(=O)C1C=Cc2c1cccc2 527a_100000210545_200009832160 [0,0,0,1,0,1|1,0,0]=3 6220 B18R2.7182 CC(C)CNCC(=O)c1c[nH]c2c1cccc2 2230a_100000210953_100000183220 [0,0,0,1,0,1|2,0,0]=4 6221 B18R2.7182 CC(C)CNCC(=O)c1csc2c1cccc2 2230a_100000210953_100000689783 [0,0,0,1,0,1|2,0,0]=4 6222 B18R2.7182 CC(C)CNNC(=O)C1=CCc2c1cccc2 22a_100000696102_100000037392 [0,0,0,1,0,1|2,0,0]=4 6223 B18R2.7182 CC(C)CSCC(=O)c1c[nH]c2c1cccc2 62a_100000210624_100000183220 [0,0,0,1,0,1|2,0,0]=4 6224 B18R2.7182 CC(C)CSCC(=O)c1coc2c1cccc2 62a_100000233777_100000210760 [0,0,0,1,0,1|2,0,0]=4 6225 B18R2.7182 CC(C)CSCC(=O)c1csc2c1cccc2 62a_100000689783_100000210760 [0,0,0,1,0,1|2,0,0]=4 6226 B18R2.7182 CC(C)OCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000211751 [0,0,0,1,0,1|2,0,0]=4 6227 B18R2.7182 CC(C)OCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000211751 [0,0,0,1,0,1|2,0,0]=4 6228 B18R2.7182 CC(C)SCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000730970 [0,0,0,1,0,1|2,0,0]=4 6229 B18R2.7182 CC(C)SCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000730970 [0,0,0,1,0,1|2,0,0]=4 6230 B18R2.7182 CC(O)CCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000718107 [0,0,0,1,0,1|2,0,0]=4 6231 B18R2.7182 CC(O)CCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000718107 [0,0,0,1,0,1|2,0,0]=4 6232 B18R2.7182 CC(O)CCNC(=O)C1=CCc2c1cccc2 240690a_200000755665_100000037392 [0,0,0,1,0,1|2,0,0]=4 6233 B18R2.7182 CC(O)CCNC(=O)C1C=Cc2c1cccc2 240690a_200000755665_200009832160 [0,0,0,1,0,1|2,0,0]=4 6234 B18R2.7182 CC(O)CCNC(=O)C1C=Cc2c1cccc2 527a_200000755665_200009832160 [0,0,0,1,0,1|2,0,0]=4 6235 B18R2.7182 CN(C)CCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000695564 [0,0,0,1,0,1|2,0,0]=4 6236 B18R2.7182 CN(C)CCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000695564 [0,0,0,1,0,1|2,0,0]=4 6237 B18R2.7182 CN(C)CCNC(=O)C1=CCc2c1cccc2 240690a_100000210585_100000037392 [0,0,0,1,0,1|2,0,0]=4 6238 B18R2.7182 CN(C)CCNC(=O)C1C=Cc2c1cccc2 240690a_100000210585_200009832160 [0,0,0,1,0,1|2,0,0]=4 6239 B18R2.7182 CN(C)CCNC(=O)C1C=Cc2c1cccc2 527a_100000210585_200009832160 [0,0,0,1,0,1|2,0,0]=4 6240 B18R2.41521 CN1CC(C1)NC(=O)C/C=C/c2ccccc2 240690a_100015196640_100011219626 [0,0,0,1,0,1|2,0,0]=4 6241 B18R2.41521 CN1CC(C1)NC(=O)C=CSc2ccccc2 240690a_100015196640_100016262050 [0,0,0,1,0,1|2,0,0]=4 6242 B18R2.41521 O=C(C/C=C/c1ccccc1)NC2CC(C2)F 11a_100016993743_100011219626 [0,0,0,1,0,1|2,0,0]=4 6243 B18R2.41521 O=C(C/C=C/c1ccccc1)NC2CC(C2)F 1626a_100016993743_100011219626 [0,0,0,1,0,1|2,0,0]=4 6244 B18R2.41521 O=C(C/C=C/c1ccccc1)NC2CC(C2)F 240690a_100016993743_100011219626 [0,0,0,1,0,1|2,0,0]=4 6245 B18R2.41521 O=C(C/C=C/c1ccccc1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100011219626 [0,0,0,1,0,1|2,0,0]=4 6246 B18R2.41521 O=C(C/C=C/c1ccccc1)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100011219626 [0,0,0,1,0,1|2,0,0]=4 6247 B18R2.41521 O=C(C/C=C/c1ccccc1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100011219626 [0,0,0,1,0,1|2,0,0]=4 6248 B18R2.41521 O=C(C=CSc1ccccc1)NC2CC(C2)F 11a_100016993743_100016262050 [0,0,0,1,0,1|2,0,0]=4 6249 B18R2.41521 O=C(C=CSc1ccccc1)NC2CC(C2)F 1626a_100016993743_100016262050 [0,0,0,1,0,1|2,0,0]=4 6250 B18R2.41521 O=C(C=CSc1ccccc1)NC2CC(C2)F 240690a_100016993743_100016262050 [0,0,0,1,0,1|2,0,0]=4 6251 B18R2.41521 O=C(C=CSc1ccccc1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100016262050 [0,0,0,1,0,1|2,0,0]=4 6252 B18R2.41521 O=C(C=CSc1ccccc1)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100016262050 [0,0,0,1,0,1|2,0,0]=4 6253 B18R2.41521 O=C(C=CSc1ccccc1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100016262050 [0,0,0,1,0,1|2,0,0]=4 6254 B18R2.565422 O=C(C/C=C/c1ccccc1)CCCC2CO2 1458a_100011219626_100000733510 [0,0,0,1,0,1|2,0,0]=4 6255 B18R2.565422 O=C(C/C=C/c1ccccc1)CSCC2CC2 1458a_200011316215_100016265936 [0,0,0,1,0,1|2,0,0]=4 6256 B18R2.565422 O=C(C/C=C/c1ccccc1)NCCC2CC2 1626a_100000764129_100011219626 [0,0,0,1,0,1|1,0,0]=3 6257 B18R2.565422 O=C(C/C=C/c1ccccc1)NCCC2CC2 240690a_100000764129_100011219626 [0,0,0,1,0,1|1,0,0]=3 6258 B18R2.565422 O=C(C/C=C/c1ccccc1)NNCC2CC2 22a_100000736359_100011219626 [0,0,0,1,0,1|2,0,0]=4 6259 B18R2.565422 O=C(C=CSc1ccccc1)CCCC2CO2 1458a_100016262050_100000733510 [0,0,0,1,0,1|2,0,0]=4 6260 B18R2.565422 O=C(C=CSc1ccccc1)NCCC2CC2 1626a_100000764129_100016262050 [0,0,0,1,0,1|1,0,0]=3 6261 B18R2.565422 O=C(C=CSc1ccccc1)NCCC2CC2 240690a_100000764129_100016262050 [0,0,0,1,0,1|1,0,0]=3 6262 B18R2.565422 O=C(C=CSc1ccccc1)NNCC2CC2 22a_100000736359_100016262050 [0,0,0,1,0,1|2,0,0]=4 6263 B18R2.3702 CC(=CC(=O)N1CCC(C1)O)c2ccccc2 240690a_100011215560_100000743005 [0,1,0,1,0,0|2,0,0]=4 6264 B18R2.3702 CC(=CC(=O)N1CCC(C1)O)c2ccccc2 527a_100011215560_100000743005 [0,1,0,1,0,0|2,0,0]=4 6265 B18R2.3702 CC(=CC(=O)N1CC[C@@H](C1)F)c2ccccc2 11a_100015203821_100000743005 [0,1,0,1,0,0|2,0,0]=4 6266 B18R2.3702 CC(=CC(=O)N1CC[C@@H](C1)F)c2ccccc2 1626a_100015203821_100000743005 [0,1,0,1,0,0|2,0,0]=4 6267 B18R2.3702 CC(=CC(=O)N1CC[C@@H](C1)F)c2ccccc2 240690a_100015203821_100000743005 [0,1,0,1,0,0|2,0,0]=4 6268 B18R2.3702 CC(=CC(=O)N1CC[C@@H](C1)F)c2ccccc2 527a_100015203821_100000743005 [0,1,0,1,0,0|2,0,0]=4 6269 B18R2.3702 CC(=CC(=O)N1CC[C@H](C1)C)c2ccccc2 11a_100016987628_100000743005 [0,1,0,1,0,0|1,0,0]=3 6270 B18R2.3702 CC(=CC(=O)N1CC[C@H](C1)C)c2ccccc2 240690a_100016987628_100000743005 [0,1,0,1,0,0|1,0,0]=3 6271 B18R2.3702 CC(=CC(=O)N1CC[C@H](C1)C)c2ccccc2 527a_100016987628_100000743005 [0,1,0,1,0,0|1,0,0]=3 6272 B18R2.41504 CC(=CC(=O)NC1CC(C1)F)c2ccccc2 11a_100016993743_100000743005 [0,1,0,1,0,0|2,0,0]=4 6273 B18R2.41504 CC(=CC(=O)NC1CC(C1)F)c2ccccc2 1626a_100016993743_100000743005 [0,1,0,1,0,0|2,0,0]=4 6274 B18R2.41504 CC(=CC(=O)NC1CC(C1)F)c2ccccc2 240690a_100016993743_100000743005 [0,1,0,1,0,0|2,0,0]=4 6275 B18R2.41504 CC(=CC(=O)NC1CC(C1)F)c2ccccc2 527a_100016993743_100000743005 [0,1,0,1,0,0|2,0,0]=4 6276 B18R2.41504 CC(=CC(=O)NC1CN(C1)C)c2ccccc2 240690a_100015196640_100000743005 [0,1,0,1,0,0|2,0,0]=4 6277 B18R2.41504 CC(=CC(=O)N[C@H]1C[C@@H](C1)O)c2ccccc2 11a_100020629032_100000743005 [0,1,0,1,0,0|2,0,0]=4 6278 B18R2.41504 CC(=CC(=O)N[C@H]1C[C@@H](C1)O)c2ccccc2 1626a_100020629032_100000743005 [0,1,0,1,0,0|2,0,0]=4 6279 B18R2.41504 CC(=CC(=O)N[C@H]1C[C@@H](C1)O)c2ccccc2 240690a_100020629032_100000743005 [0,1,0,1,0,0|2,0,0]=4 6280 B18R2.41504 CC(=CC(=O)N[C@H]1C[C@@H](C1)O)c2ccccc2 527a_100020629032_100000743005 [0,1,0,1,0,0|2,0,0]=4 6281 B18R2.63530 CC(C)CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210312 [0,1,0,1,0,0|2,0,0]=4 6282 B18R2.63530 CC(C)CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210626 [0,1,0,1,0,0|2,0,0]=4 6283 B18R2.63530 CC(C)CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210312 [0,1,0,1,0,0|2,0,0]=4 6284 B18R2.63530 CC(C)CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210312 [0,1,0,1,0,0|1,0,0]=3 6285 B18R2.63530 CC(C)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210626 [0,1,0,1,0,0|1,0,0]=3 6286 B18R2.63530 CC(C)CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210312 [0,1,0,1,0,0|2,0,0]=4 6287 B18R2.63530 CC(C)CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210626 [0,1,0,1,0,0|2,0,0]=4 6288 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210312 [0,1,0,1,0,0|2,0,0]=4 6289 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210626 [0,1,0,1,0,0|2,0,0]=4 6290 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210312 [0,1,0,1,0,0|2,0,0]=4 6291 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210626 [0,1,0,1,0,0|2,0,0]=4 6292 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210312 [0,1,0,1,0,0|2,0,0]=4 6293 B18R2.63530 CC(C)CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210312_100000090176 [0,1,0,1,0,0|1,1,0]=4 6294 B18R2.63530 CC(C)CCSc1cc(c2ccccc2c1)N 62a_100000210312_100010171453 [0,1,0,1,0,0|1,1,0]=4 6295 B18R2.63530 CC(C)CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210312 [0,1,0,1,0,0|1,1,0]=4 6296 B18R2.63530 CC(C)CCSc1cc(c2ccccc2c1)O 62a_100000210312_100010089979 [0,1,0,1,0,0|1,1,0]=4 6297 B18R2.63530 CC(C)CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210312 [0,1,0,1,0,0|1,1,0]=4 6298 B18R2.63530 CC(C)OCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000709892 [0,1,0,1,0,0|2,0,0]=4 6299 B18R2.63530 CC(O)CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100012276601 [0,1,0,1,0,0|2,0,0]=4 6300 B18R2.63530 CC(O)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100012276601 [0,1,0,1,0,0|2,0,0]=4 6301 B18R2.63530 CN(C)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000755713 [0,1,0,1,0,0|2,0,0]=4 6302 B18R2.63530 Cc1cc(nc2c1cccc2)NCCC(C)C 27a_100000210545_100000184993 [0,1,0,1,0,0|2,0,0]=4 6303 B18R2.63530 Cc1cc(nc2c1cccc2)SCCC(C)C 62a_100000210312_100000184993 [0,1,0,1,0,0|1,1,0]=4 6304 B18R2.63530 Cc1cc(nc2c1cccc2)SCCC(C)C 62a_100012354972_100000210312 [0,1,0,1,0,0|1,1,0]=4 6305 B18R2.72638 CC(=CC(=O)CCCC1CO1)c2ccccc2 1458a_100000743005_100000733510 [0,1,0,1,0,0|2,0,0]=4 6306 B18R2.72638 CC(=CC(=O)NCCC1CC1)c2ccccc2 1626a_100000764129_100000743005 [0,1,0,1,0,0|1,0,0]=3 6307 B18R2.72638 CC(=CC(=O)NCCC1CC1)c2ccccc2 240690a_100000764129_100000743005 [0,1,0,1,0,0|1,0,0]=3 6308 B18R2.72638 CC(=CC(=O)NCCC1CC1)c2ccccc2 527a_100000764129_100000743005 [0,1,0,1,0,0|1,0,0]=3 6309 B18R2.72638 CC(=CC(=O)NNCC1CC1)c2ccccc2 22a_100000736359_100000743005 [0,1,0,1,0,0|2,0,0]=4 6310 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Br 11a_100016987628_100016267368 [0,1,0,1,0,0|1,0,0]=3 6311 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Cl 11a_100016987628_100000184863 [0,1,0,1,0,0|1,0,0]=3 6312 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)Cl 240690a_100016987628_100000184863 [0,1,0,1,0,0|1,0,0]=3 6313 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)F 11a_100016987628_100000182136 [0,1,0,1,0,0|1,0,0]=3 6314 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)F 240690a_100016987628_100000182136 [0,1,0,1,0,0|1,0,0]=3 6315 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)I 11a_100016987628_100102526154 [0,1,0,1,0,0|1,0,0]=3 6316 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)I 240690a_100016987628_100102526154 [0,1,0,1,0,0|1,0,0]=3 6317 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cc2)O 240690a_100016987628_100016269017 [0,1,0,1,0,0|1,0,0]=3 6318 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cn2)F 11a_100016987628_100020630499 [0,1,0,1,0,0|2,0,0]=4 6319 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(cn2)F 240690a_100016987628_100020630499 [0,1,0,1,0,0|2,0,0]=4 6320 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(nc2)Br 11a_100016987628_100020588214 [0,1,0,1,0,0|2,0,0]=4 6321 B18R2.258 C[C@@H]1CCN(C1)C(=O)C=Cc2ccc(nc2)Br 240690a_100016987628_100020588214 [0,1,0,1,0,0|2,0,0]=4 6322 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CCC(C2)O 240690a_100011215560_100000716854 [0,1,0,1,0,0|2,0,0]=4 6323 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@@H](C2)F 11a_100015203821_100000716854 [0,1,0,1,0,0|2,0,0]=4 6324 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@@H](C2)F 1626a_100015203821_100000716854 [0,1,0,1,0,0|2,0,0]=4 6325 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@@H](C2)F 240690a_100015203821_100000716854 [0,1,0,1,0,0|2,0,0]=4 6326 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@H](C2)C 11a_100016987628_100000716854 [0,1,0,1,0,0|1,0,0]=3 6327 B18R2.258 Cc1ccc(cc1)C=CC(=O)N2CC[C@H](C2)C 240690a_100016987628_100000716854 [0,1,0,1,0,0|1,0,0]=3 6328 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CC[C@@H](C2)F 11a_100015203821_100016267368 [0,1,0,1,0,0|2,0,0]=4 6329 B18R2.258 O=C(C=Cc1ccc(cc1)Br)N2CC[C@@H](C2)F 1626a_100015203821_100016267368 [0,1,0,1,0,0|2,0,0]=4 6330 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CCC(C2)O 240690a_100011215560_100000184863 [0,1,0,1,0,0|2,0,0]=4 6331 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CC[C@@H](C2)F 11a_100015203821_100000184863 [0,1,0,1,0,0|2,0,0]=4 6332 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CC[C@@H](C2)F 1626a_100015203821_100000184863 [0,1,0,1,0,0|2,0,0]=4 6333 B18R2.258 O=C(C=Cc1ccc(cc1)Cl)N2CC[C@@H](C2)F 240690a_100015203821_100000184863 [0,1,0,1,0,0|2,0,0]=4 6334 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CCC(C2)O 240690a_100011215560_100000182136 [0,1,0,1,0,0|2,0,0]=4 6335 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CC[C@@H](C2)F 11a_100015203821_100000182136 [0,1,0,1,0,0|2,0,0]=4 6336 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CC[C@@H](C2)F 1626a_100015203821_100000182136 [0,1,0,1,0,0|2,0,0]=4 6337 B18R2.258 O=C(C=Cc1ccc(cc1)F)N2CC[C@@H](C2)F 240690a_100015203821_100000182136 [0,1,0,1,0,0|2,0,0]=4 6338 B18R2.258 O=C(C=Cc1ccc(cc1)I)N2CCC(C2)O 240690a_100011215560_100102526154 [0,1,0,1,0,0|2,0,0]=4 6339 B18R2.258 O=C(C=Cc1ccc(cc1)I)N2CC[C@@H](C2)F 11a_100015203821_100102526154 [0,1,0,1,0,0|2,0,0]=4 6340 B18R2.258 O=C(C=Cc1ccc(cc1)I)N2CC[C@@H](C2)F 1626a_100015203821_100102526154 [0,1,0,1,0,0|2,0,0]=4 6341 B18R2.258 O=C(C=Cc1ccc(cc1)I)N2CC[C@@H](C2)F 240690a_100015203821_100102526154 [0,1,0,1,0,0|2,0,0]=4 6342 B18R2.258 O=C(C=Cc1ccc(cc1)O)N2CCC(C2)O 240690a_100011215560_100016269017 [0,1,0,1,0,0|2,0,0]=4 6343 B18R2.258 O=C(C=Cc1ccc(cc1)O)N2CC[C@@H](C2)F 240690a_100015203821_100016269017 [0,1,0,1,0,0|2,0,0]=4 6344 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)Cl 240690a_100015196640_100000184863 [0,1,0,1,0,0|2,0,0]=4 6345 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)F 240690a_100015196640_100000182136 [0,1,0,1,0,0|2,0,0]=4 6346 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)I 240690a_100015196640_100102526154 [0,1,0,1,0,0|2,0,0]=4 6347 B18R2.29922 CN1CC(C1)NC(=O)C=Cc2ccc(cc2)O 240690a_100015196640_100016269017 [0,1,0,1,0,0|2,0,0]=4 6348 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CC(C2)F 11a_100016993743_100000716854 [0,1,0,1,0,0|2,0,0]=4 6349 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CC(C2)F 1626a_100016993743_100000716854 [0,1,0,1,0,0|2,0,0]=4 6350 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CC(C2)F 240690a_100016993743_100000716854 [0,1,0,1,0,0|2,0,0]=4 6351 B18R2.29922 Cc1ccc(cc1)C=CC(=O)NC2CN(C2)C 240690a_100015196640_100000716854 [0,1,0,1,0,0|2,0,0]=4 6352 B18R2.29922 Cc1ccc(cc1)C=CC(=O)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000716854 [0,1,0,1,0,0|2,0,0]=4 6353 B18R2.29922 Cc1ccc(cc1)C=CC(=O)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000716854 [0,1,0,1,0,0|2,0,0]=4 6354 B18R2.29922 Cc1ccc(cc1)C=CC(=O)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000716854 [0,1,0,1,0,0|2,0,0]=4 6355 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)NC2CC(C2)F 11a_100016993743_100016267368 [0,1,0,1,0,0|2,0,0]=4 6356 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)NC2CC(C2)F 1626a_100016993743_100016267368 [0,1,0,1,0,0|2,0,0]=4 6357 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)N[C@H]2C[C@@H](C2)O 11a_100020629032_100016267368 [0,1,0,1,0,0|2,0,0]=4 6358 B18R2.29922 O=C(C=Cc1ccc(cc1)Br)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100016267368 [0,1,0,1,0,0|2,0,0]=4 6359 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)NC2CC(C2)F 11a_100016993743_100000184863 [0,1,0,1,0,0|2,0,0]=4 6360 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)NC2CC(C2)F 1626a_100016993743_100000184863 [0,1,0,1,0,0|2,0,0]=4 6361 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)NC2CC(C2)F 240690a_100016993743_100000184863 [0,1,0,1,0,0|2,0,0]=4 6362 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000184863 [0,1,0,1,0,0|2,0,0]=4 6363 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000184863 [0,1,0,1,0,0|2,0,0]=4 6364 B18R2.29922 O=C(C=Cc1ccc(cc1)Cl)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000184863 [0,1,0,1,0,0|2,0,0]=4 6365 B18R2.29922 O=C(C=Cc1ccc(cc1)F)NC2CC(C2)F 11a_100016993743_100000182136 [0,1,0,1,0,0|2,0,0]=4 6366 B18R2.29922 O=C(C=Cc1ccc(cc1)F)NC2CC(C2)F 1626a_100016993743_100000182136 [0,1,0,1,0,0|2,0,0]=4 6367 B18R2.29922 O=C(C=Cc1ccc(cc1)F)NC2CC(C2)F 240690a_100016993743_100000182136 [0,1,0,1,0,0|2,0,0]=4 6368 B18R2.29922 O=C(C=Cc1ccc(cc1)F)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000182136 [0,1,0,1,0,0|2,0,0]=4 6369 B18R2.29922 O=C(C=Cc1ccc(cc1)F)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000182136 [0,1,0,1,0,0|2,0,0]=4 6370 B18R2.29922 O=C(C=Cc1ccc(cc1)F)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000182136 [0,1,0,1,0,0|2,0,0]=4 6371 B18R2.29922 O=C(C=Cc1ccc(cc1)I)NC2CC(C2)F 11a_100016993743_100102526154 [0,1,0,1,0,0|2,0,0]=4 6372 B18R2.29922 O=C(C=Cc1ccc(cc1)I)NC2CC(C2)F 1626a_100016993743_100102526154 [0,1,0,1,0,0|2,0,0]=4 6373 B18R2.29922 O=C(C=Cc1ccc(cc1)I)NC2CC(C2)F 240690a_100016993743_100102526154 [0,1,0,1,0,0|2,0,0]=4 6374 B18R2.29922 O=C(C=Cc1ccc(cc1)I)N[C@H]2C[C@@H](C2)O 11a_100020629032_100102526154 [0,1,0,1,0,0|2,0,0]=4 6375 B18R2.29922 O=C(C=Cc1ccc(cc1)I)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100102526154 [0,1,0,1,0,0|2,0,0]=4 6376 B18R2.29922 O=C(C=Cc1ccc(cc1)I)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100102526154 [0,1,0,1,0,0|2,0,0]=4 6377 B18R2.29922 O=C(C=Cc1ccc(cc1)O)NC2CC(C2)F 240690a_100016993743_100016269017 [0,1,0,1,0,0|2,0,0]=4 6378 B18R2.29922 O=C(C=Cc1ccc(cc1)O)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100016269017 [0,1,0,1,0,0|2,0,0]=4 6379 B18R2.31386 CC(C)CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210312 [0,1,0,1,0,0|2,0,0]=4 6380 B18R2.31386 CC(C)CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210626 [0,1,0,1,0,0|2,0,0]=4 6381 B18R2.31386 CC(C)CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210312 [0,1,0,1,0,0|2,0,0]=4 6382 B18R2.31386 CC(C)CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210626 [0,1,0,1,0,0|2,0,0]=4 6383 B18R2.31386 CC(C)CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210312 [0,1,0,1,0,0|2,0,0]=4 6384 B18R2.31386 CC(C)CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210312 [0,1,0,1,0,0|2,0,0]=4 6385 B18R2.31386 CC(C)CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210626 [0,1,0,1,0,0|2,0,0]=4 6386 B18R2.31386 CC(C)CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210312 [0,1,0,1,0,0|1,0,0]=3 6387 B18R2.31386 CC(C)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210626 [0,1,0,1,0,0|1,0,0]=3 6388 B18R2.31386 CC(C)CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210312 [0,1,0,1,0,0|1,0,0]=3 6389 B18R2.31386 CC(C)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210626 [0,1,0,1,0,0|1,0,0]=3 6390 B18R2.31386 CC(C)CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210312 [0,1,0,1,0,0|2,0,0]=4 6391 B18R2.31386 CC(C)CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210626 [0,1,0,1,0,0|2,0,0]=4 6392 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210312 [0,1,0,1,0,0|2,0,0]=4 6393 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210626 [0,1,0,1,0,0|2,0,0]=4 6394 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210312 [0,1,0,1,0,0|2,0,0]=4 6395 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210626 [0,1,0,1,0,0|2,0,0]=4 6396 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210312 [0,1,0,1,0,0|2,0,0]=4 6397 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210626 [0,1,0,1,0,0|2,0,0]=4 6398 B18R2.31386 CC(C)CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210312 [0,1,0,1,0,0|2,0,0]=4 6399 B18R2.31386 CC(C)CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210626 [0,1,0,1,0,0|2,0,0]=4 6400 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2c1)N 62a_100000210312_100010090036 [0,1,0,1,0,0|1,1,0]=4 6401 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210312 [0,1,0,1,0,0|1,1,0]=4 6402 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2c1)O 62a_100000210312_100009816537 [0,1,0,1,0,0|1,1,0]=4 6403 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2n1)O 62a_100000210312_100000079174 [0,1,0,1,0,0|1,1,0]=4 6404 B18R2.31386 CC(C)OCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000709892 [0,1,0,1,0,0|2,0,0]=4 6405 B18R2.31386 CC(C)OCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000709892 [0,1,0,1,0,0|2,0,0]=4 6406 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100012276601 [0,1,0,1,0,0|2,0,0]=4 6407 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100012276601 [0,1,0,1,0,0|2,0,0]=4 6408 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100012276601 [0,1,0,1,0,0|2,0,0]=4 6409 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100012276601 [0,1,0,1,0,0|2,0,0]=4 6410 B18R2.31386 CN(C)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000755713 [0,1,0,1,0,0|2,0,0]=4 6411 B18R2.31386 CN(C)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000755713 [0,1,0,1,0,0|2,0,0]=4 6412 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)C 34a_100000091598_100000210312 [0,1,0,1,0,0|1,0,0]=3 6413 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)C 7a_100000091598_100000210626 [0,1,0,1,0,0|1,0,0]=3 6414 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)O 34a_100000091598_100012276601 [0,1,0,1,0,0|2,0,0]=4 6415 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)O 7a_100000091598_100012276601 [0,1,0,1,0,0|2,0,0]=4 6416 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCN(C)C 7a_100000091598_100000755713 [0,1,0,1,0,0|2,0,0]=4 6417 B18R2.31386 Cc1ccc2ccc(cc2c1)OCOC(C)C 34a_100000091598_100000709892 [0,1,0,1,0,0|2,0,0]=4 6418 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)C 34a_100009867695_100000210312 [0,1,0,1,0,0|2,0,0]=4 6419 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)C 7a_100009867695_100000210626 [0,1,0,1,0,0|2,0,0]=4 6420 B18R2.93538 Cc1ccc(cc1)C=CC(=O)CCCC2CO2 1458a_100000716854_100000733510 [0,1,0,1,0,0|2,0,0]=4 6421 B18R2.93538 Cc1ccc(cc1)C=CC(=O)NCCC2CC2 1626a_100000764129_100000716854 [0,1,0,1,0,0|1,0,0]=3 6422 B18R2.93538 Cc1ccc(cc1)C=CC(=O)NCCC2CC2 240690a_100000764129_100000716854 [0,1,0,1,0,0|1,0,0]=3 6423 B18R2.93538 Cc1ccc(cc1)C=CC(=O)NNCC2CC2 22a_100000736359_100000716854 [0,1,0,1,0,0|2,0,0]=4 6424 B18R2.93538 O=C(C=Cc1ccc(cc1)Br)CCCC2CO2 1458a_100016267368_100000733510 [0,1,0,1,0,0|2,0,0]=4 6425 B18R2.93538 O=C(C=Cc1ccc(cc1)Br)NCCC2CC2 1626a_100000764129_100016267368 [0,1,0,1,0,0|1,0,0]=3 6426 B18R2.93538 O=C(C=Cc1ccc(cc1)Br)NNCC2CC2 22a_100000736359_100016267368 [0,1,0,1,0,0|2,0,0]=4 6427 B18R2.93538 O=C(C=Cc1ccc(cc1)Cl)CCCC2CO2 1458a_100000184863_100000733510 [0,1,0,1,0,0|2,0,0]=4 6428 B18R2.93538 O=C(C=Cc1ccc(cc1)Cl)NCCC2CC2 1626a_100000764129_100000184863 [0,1,0,1,0,0|1,0,0]=3 6429 B18R2.93538 O=C(C=Cc1ccc(cc1)Cl)NCCC2CC2 240690a_100000764129_100000184863 [0,1,0,1,0,0|1,0,0]=3 6430 B18R2.93538 O=C(C=Cc1ccc(cc1)Cl)NNCC2CC2 22a_100000736359_100000184863 [0,1,0,1,0,0|2,0,0]=4 6431 B18R2.93538 O=C(C=Cc1ccc(cc1)F)CCCC2CO2 1458a_100000182136_100000733510 [0,1,0,1,0,0|2,0,0]=4 6432 B18R2.93538 O=C(C=Cc1ccc(cc1)F)NCCC2CC2 1626a_100000764129_100000182136 [0,1,0,1,0,0|1,0,0]=3 6433 B18R2.93538 O=C(C=Cc1ccc(cc1)F)NCCC2CC2 240690a_100000764129_100000182136 [0,1,0,1,0,0|1,0,0]=3 6434 B18R2.93538 O=C(C=Cc1ccc(cc1)F)NNCC2CC2 22a_100000736359_100000182136 [0,1,0,1,0,0|2,0,0]=4 6435 B18R2.93538 O=C(C=Cc1ccc(cc1)I)CCCC2CO2 1458a_100102526154_100000733510 [0,1,0,1,0,0|2,0,0]=4 6436 B18R2.93538 O=C(C=Cc1ccc(cc1)I)NCCC2CC2 1626a_100000764129_100102526154 [0,1,0,1,0,0|1,0,0]=3 6437 B18R2.93538 O=C(C=Cc1ccc(cc1)I)NCCC2CC2 240690a_100000764129_100102526154 [0,1,0,1,0,0|1,0,0]=3 6438 B18R2.93538 O=C(C=Cc1ccc(cc1)I)NNCC2CC2 22a_100000736359_100102526154 [0,1,0,1,0,0|2,0,0]=4 6439 B18R2.93538 O=C(C=Cc1ccc(cc1)O)NCCC2CC2 240690a_100000764129_100016269017 [0,1,0,1,0,0|1,0,0]=3 6440 B18R2.93538 O=C(C=Cc1ccc(cc1)O)NNCC2CC2 22a_100000736359_100016269017 [0,1,0,1,0,0|2,0,0]=4 6441 B18R2.93538 O=C(C=Cc1ccc(cn1)F)NCCC2CC2 1626a_100000764129_100020630499 [0,1,0,1,0,0|2,0,0]=4 6442 B18R2.93538 O=C(C=Cc1ccc(cn1)F)NCCC2CC2 240690a_100000764129_100020630499 [0,1,0,1,0,0|2,0,0]=4 6443 B18R2.93538 O=C(C=Cc1ccc(nc1)Br)NCCC2CC2 1626a_100000764129_100020588214 [0,1,0,1,0,0|2,0,0]=4 6444 B18R2.93538 O=C(C=Cc1ccc(nc1)Br)NCCC2CC2 240690a_100000764129_100020588214 [0,1,0,1,0,0|2,0,0]=4 6445 B18R2.253 CC1=CCN(CC1)C(=O)C=Cc2ccccc2 11a_100000693516_100000210462 [0,1,0,1,0,0|1,0,1]=4 6446 B18R2.253 CC1=CCN(CC1)C(=O)C=Cc2ccccc2 1626a_100000693516_100000210462 [0,1,0,1,0,0|1,0,1]=4 6447 B18R2.253 CC1CCC(CC1)C(=O)C=Cc2ccccc2 1458a_100000210462_200011216234 [0,1,0,1,0,0|1,0,0]=3 6448 B18R2.253 CC1CCC(CC1)C(=O)C=Cc2ccccn2 1458a_100000740811_200011216234 [0,1,0,1,0,0|2,0,0]=4 6449 B18R2.253 CC1CCC(CC1)C(=O)C=Cc2cccnc2 1458a_100000735890_200011216234 [0,1,0,1,0,0|2,0,0]=4 6450 B18R2.253 CC1CCC(CC1)C(=O)C=Cc2ccncc2 1458a_100000682801_200011216234 [0,1,0,1,0,0|2,0,0]=4 6451 B18R2.253 CC1CCN(CC1)C(=O)C=Cc2ccccn2 240690a_100000188429_100000740811 [0,1,0,1,0,0|2,0,0]=4 6452 B18R2.253 CC1CCN(CC1)C(=O)C=Cc2cccnc2 240690a_100000188429_100000735890 [0,1,0,1,0,0|2,0,0]=4 6453 B18R2.253 CC1CCN(CC1)C(=O)C=Cc2ccncc2 240690a_100000188429_100000682801 [0,1,0,1,0,0|2,0,0]=4 6454 B18R2.253 CN1CCN(CC1)C(=O)/C=C/c2ccccc2 2230a_200000285956_200000210301 [0,1,0,1,0,0|2,0,0]=4 6455 B18R2.253 CN1CCN(CC1)C(=O)/C=C/c2ccccc2 269982a_200000285956_200000210301 [0,1,0,1,0,0|2,0,0]=4 6456 B18R2.253 CN1CCN(CC1)C(=O)C=Cc2ccccc2 11a_100000188432_100000210462 [0,1,0,1,0,0|2,0,0]=4 6457 B18R2.253 O=C(C=Cc1ccccc1)N2CCC(CC2)F 11a_100015193889_100000210462 [0,1,0,1,0,0|2,0,0]=4 6458 B18R2.253 O=C(C=Cc1ccccc1)N2CCC(CC2)F 1626a_100015193889_100000210462 [0,1,0,1,0,0|2,0,0]=4 6459 B18R2.253 [13CH3]N1CCN(CC1)C(=O)/C=C/c2ccccc2 2230a_200000285956_200025704644 [0,1,0,1,0,0|2,0,0]=4 6460 B18R2.253 [13CH3]N1CCN(CC1)C(=O)/C=C/c2ccccc2 269982a_200000285956_200025704644 [0,1,0,1,0,0|2,0,0]=4 6461 B18R2.1364 CCN1CC(C1)NC(=O)C=Cc2ccccc2 11a_200015199589_100000210462 [0,1,0,1,0,0|2,0,0]=4 6462 B18R2.1364 CCN1CC(C1)NC(=O)C=Cc2ccccc2 1626a_200015199589_100000210462 [0,1,0,1,0,0|2,0,0]=4 6463 B18R2.1364 CO[C@H]1C[C@@H](C1)NC(=O)C=Cc2ccccc2 11a_100121570643_100000210462 [0,1,0,1,0,0|1,0,0]=3 6464 B18R2.1364 CO[C@H]1C[C@@H](C1)NC(=O)C=Cc2ccccc2 1626a_100121570643_100000210462 [0,1,0,1,0,0|1,0,0]=3 6465 B18R2.1364 CO[C@H]1C[C@@H](C1)NC(=O)C=Cc2ccccn2 11a_100121570643_100000740811 [0,1,0,1,0,0|2,0,0]=4 6466 B18R2.1364 CO[C@H]1C[C@@H](C1)NC(=O)C=Cc2ccccn2 240690a_100121570643_100000740811 [0,1,0,1,0,0|2,0,0]=4 6467 B18R2.1364 CO[C@H]1C[C@@H](C1)NC(=O)C=Cc2cccnc2 11a_100121570643_100000735890 [0,1,0,1,0,0|2,0,0]=4 6468 B18R2.1364 CO[C@H]1C[C@@H](C1)NC(=O)C=Cc2cccnc2 240690a_100121570643_100000735890 [0,1,0,1,0,0|2,0,0]=4 6469 B18R2.1364 CO[C@H]1C[C@@H](C1)NC(=O)C=Cc2ccncc2 240690a_100121570643_100000682801 [0,1,0,1,0,0|2,0,0]=4 6470 B18R2.1364 O=C(C=Cc1ccccn1)NC2CC(C2)CO 240690a_100000095622_100000740811 [0,1,0,1,0,0|2,0,0]=4 6471 B18R2.1364 O=C(C=Cc1cccnc1)NC2CC(C2)CO 240690a_100000095622_100000735890 [0,1,0,1,0,0|2,0,0]=4 6472 B18R2.1364 O=C(C=Cc1ccncc1)NC2CC(C2)CO 240690a_100000095622_100000682801 [0,1,0,1,0,0|2,0,0]=4 6473 B18R2.2744 CO[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2 11a_100000766984_100000210462 [0,1,0,1,0,0|1,0,0]=3 6474 B18R2.2744 CO[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2 1626a_100000766984_100000210462 [0,1,0,1,0,0|1,0,0]=3 6475 B18R2.2744 CO[C@@H]1CCN(C1)C(=O)C=Cc2ccccn2 11a_100000766984_100000740811 [0,1,0,1,0,0|2,0,0]=4 6476 B18R2.2744 CO[C@@H]1CCN(C1)C(=O)C=Cc2ccccn2 240690a_100000766984_100000740811 [0,1,0,1,0,0|2,0,0]=4 6477 B18R2.2744 CO[C@@H]1CCN(C1)C(=O)C=Cc2cccnc2 11a_100000766984_100000735890 [0,1,0,1,0,0|2,0,0]=4 6478 B18R2.2744 CO[C@@H]1CCN(C1)C(=O)C=Cc2cccnc2 240690a_100000766984_100000735890 [0,1,0,1,0,0|2,0,0]=4 6479 B18R2.2744 CO[C@@H]1CCN(C1)C(=O)C=Cc2ccncc2 240690a_100000766984_100000682801 [0,1,0,1,0,0|2,0,0]=4 6480 B18R2.2744 N#CC1CCN(C1)C(=O)C=Cc2ccccc2 11a_100016989334_100000210462 [0,1,0,1,0,0|1,0,1]=4 6481 B18R2.2744 N#CC1CCN(C1)C(=O)C=Cc2ccccc2 1626a_100016989334_100000210462 [0,1,0,1,0,0|1,0,1]=4 6482 B18R2.2744 O=C(C=Cc1ccccn1)N2CCC(C2)CO 240690a_100000748654_100000740811 [0,1,0,1,0,0|2,0,0]=4 6483 B18R2.2744 O=C(C=Cc1cccnc1)N2CCC(C2)CO 240690a_100000748654_100000735890 [0,1,0,1,0,0|2,0,0]=4 6484 B18R2.2744 O=C(C=Cc1ccncc1)N2CCC(C2)CO 240690a_100000748654_100000682801 [0,1,0,1,0,0|2,0,0]=4 6485 B18R2.9469 CC(CO)CCNc1ccc2ccccc2n1 27a_106354213184_100011291633 [0,1,0,1,0,0|2,0,0]=4 6486 B18R2.9469 CCC(C)CCNc1ccc2ccccc2n1 27a_100020591266_100011291633 [0,1,0,1,0,0|2,0,0]=4 6487 B18R2.72675 O=C(C=Cc1ccccc1)NNCC2CCC2 22a_200020586977_100000210462 [0,1,0,1,0,0|2,0,0]=4 6488 B18R2.1714 CC(C)COc1c(ccc2c1cccc2)N=O 34a_100000212301_100000210624 [0,1,0,1,0,0|2,0,0]=4 6489 B18R2.1714 CC(C)CSc1c(ccc2c1cccc2)C=O 62a_100000210624_100009813496 [0,1,0,1,0,0|2,0,0]=4 6490 B18R2.1714 CC(C)CSc1c(ccc2c1cccc2)C=O 62a_100009813496_100000210760 [0,1,0,1,0,0|2,0,0]=4 6491 B18R2.282514 CC(C)CCNc1ccc2ccccc2c1Br 34a_100000705303_100000210312 [0,1,0,1,0,0|2,0,0]=4 6492 B18R2.282514 CC(C)CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210312 [0,1,0,1,0,0|2,0,0]=4 6493 B18R2.282514 CC(C)CCNc1ccc2ccccc2c1O 34a_100000007060_100000210312 [0,1,0,1,0,0|1,0,1]=4 6494 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1Br 34a_100000183829_100000210312 [0,1,0,1,0,0|1,0,0]=3 6495 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1Br 7a_100000183829_100000210626 [0,1,0,1,0,0|1,0,0]=3 6496 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210312 [0,1,0,1,0,0|1,0,0]=3 6497 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210626 [0,1,0,1,0,0|1,0,0]=3 6498 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1I 34a_100000041551_100000210312 [0,1,0,1,0,0|1,0,0]=3 6499 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1I 7a_100000041551_100000210626 [0,1,0,1,0,0|1,0,0]=3 6500 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1N 34a_100000007056_100000210312 [0,1,0,1,0,0|1,0,0]=3 6501 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1N 7a_100000007056_100000210626 [0,1,0,1,0,0|1,0,0]=3 6502 B18R2.282514 CC(C)CCOc1ccc2cccnc2c1Br 34a_100010173343_100000210312 [0,1,0,1,0,0|2,0,0]=4 6503 B18R2.282514 CC(C)CCOc1ccc2cccnc2c1Br 7a_100010173343_100000210626 [0,1,0,1,0,0|2,0,0]=4 6504 B18R2.282514 CC(C)CCOc1ccc2ccncc2c1Br 34a_200010115057_100000210312 [0,1,0,1,0,0|2,0,0]=4 6505 B18R2.282514 CC(C)CCOc1ccc2ccncc2c1Br 7a_200010115057_100000210626 [0,1,0,1,0,0|2,0,0]=4 6506 B18R2.282514 CC(C)CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210312 [0,1,0,1,0,0|2,0,0]=4 6507 B18R2.282514 CC(C)CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210626 [0,1,0,1,0,0|2,0,0]=4 6508 B18R2.282514 CC(C)CCSc1c[nH]c2ccccc2c1=O 62a_100000210312_100012348052 [0,1,0,1,0,0|1,1,0]=4 6509 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1Br 62a_100000210312_200010089984 [0,1,0,1,0,0|1,1,0]=4 6510 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1Br 62a_200010089984_100000210312 [0,1,0,1,0,0|1,1,0]=4 6511 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1F 62a_100000210312_100009832041 [0,1,0,1,0,0|1,1,0]=4 6512 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1F 62a_100009832041_100000210312 [0,1,0,1,0,0|1,1,0]=4 6513 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1N 62a_100009817101_100000210312 [0,1,0,1,0,0|1,1,0]=4 6514 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1O 62a_100000210312_100009996032 [0,1,0,1,0,0|0,1,1]=4 6515 B18R2.282514 CC(C)CCSc1coc2ccccc2c1=O 62a_100000210312_100009813851 [0,1,0,1,0,0|1,1,0]=4 6516 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1Br 34a_100000183829_100000709892 [0,1,0,1,0,0|2,0,0]=4 6517 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1Cl 34a_100000029778_100000709892 [0,1,0,1,0,0|2,0,0]=4 6518 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1I 34a_100000041551_100000709892 [0,1,0,1,0,0|2,0,0]=4 6519 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1N 34a_100000007056_100000709892 [0,1,0,1,0,0|2,0,0]=4 6520 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Br 34a_100000183829_100012276601 [0,1,0,1,0,0|2,0,0]=4 6521 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Br 7a_100000183829_100012276601 [0,1,0,1,0,0|2,0,0]=4 6522 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Cl 34a_100000029778_100012276601 [0,1,0,1,0,0|2,0,0]=4 6523 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100012276601 [0,1,0,1,0,0|2,0,0]=4 6524 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1I 34a_100000041551_100012276601 [0,1,0,1,0,0|2,0,0]=4 6525 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1I 7a_100000041551_100012276601 [0,1,0,1,0,0|2,0,0]=4 6526 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1N 34a_100000007056_100012276601 [0,1,0,1,0,0|2,0,0]=4 6527 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1N 7a_100000007056_100012276601 [0,1,0,1,0,0|2,0,0]=4 6528 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1Br 7a_100000183829_100000755713 [0,1,0,1,0,0|2,0,0]=4 6529 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000755713 [0,1,0,1,0,0|2,0,0]=4 6530 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1I 7a_100000041551_100000755713 [0,1,0,1,0,0|2,0,0]=4 6531 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1N 7a_100000007056_100000755713 [0,1,0,1,0,0|2,0,0]=4 6532 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)C 34a_100009830054_100000210312 [0,1,0,1,0,0|1,0,0]=3 6533 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)C 7a_100009830054_100000210626 [0,1,0,1,0,0|1,0,0]=3 6534 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)O 34a_100009830054_100012276601 [0,1,0,1,0,0|2,0,0]=4 6535 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)O 7a_100009830054_100012276601 [0,1,0,1,0,0|2,0,0]=4 6536 B18R2.282514 Cc1c(ccc2c1cccc2)OCCN(C)C 7a_100009830054_100000755713 [0,1,0,1,0,0|2,0,0]=4 6537 B18R2.282514 Cc1c(ccc2c1cccc2)OCOC(C)C 34a_100009830054_100000709892 [0,1,0,1,0,0|2,0,0]=4 6538 B18R2.282514 Cc1c(ccc2c1cccc2)SCCC(C)C 62a_100000210312_100010221197 [0,1,0,1,0,0|1,1,0]=4 6539 B18R2.282514 Cc1c(ccc2c1cccc2)SCCC(C)C 62a_100010221197_100000210312 [0,1,0,1,0,0|1,1,0]=4 6540 B18R2.14644 CC(C)CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210312 [0,1,0,1,0,0|2,0,0]=4 6541 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210312 [0,1,0,1,0,0|2,0,0]=4 6542 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210312 [0,1,0,1,0,0|2,0,0]=4 6543 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210312 [0,1,0,1,0,0|2,0,0]=4 6544 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2n1 27a_100000742789_100011291633 [0,1,0,1,0,0|2,0,0]=4 6545 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2ccccc2)C 11a_100000764714_100000210462 [0,1,0,1,0,0|1,0,0]=3 6546 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2ccccc2)C 1626a_100000764714_100000210462 [0,1,0,1,0,0|1,0,0]=3 6547 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2ccccc2)O 11a_100000718628_100000210462 [0,1,0,1,0,0|1,0,0]=3 6548 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2ccccn2)C 11a_100000764714_100000740811 [0,1,0,1,0,0|2,0,0]=4 6549 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2ccccn2)C 240690a_100000764714_100000740811 [0,1,0,1,0,0|2,0,0]=4 6550 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2ccccn2)O 11a_100000718628_100000740811 [0,1,0,1,0,0|2,0,0]=4 6551 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2ccccn2)O 240690a_100000718628_100000740811 [0,1,0,1,0,0|2,0,0]=4 6552 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2cccnc2)C 11a_100000764714_100000735890 [0,1,0,1,0,0|2,0,0]=4 6553 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2cccnc2)C 240690a_100000764714_100000735890 [0,1,0,1,0,0|2,0,0]=4 6554 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2cccnc2)O 11a_100000718628_100000735890 [0,1,0,1,0,0|2,0,0]=4 6555 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2cccnc2)O 240690a_100000718628_100000735890 [0,1,0,1,0,0|2,0,0]=4 6556 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2ccncc2)C 240690a_100000764714_100000682801 [0,1,0,1,0,0|2,0,0]=4 6557 B18R2.2298562 CC1(CCN(C1)C(=O)C=Cc2ccncc2)O 240690a_100000718628_100000682801 [0,1,0,1,0,0|2,0,0]=4 6558 B18R2.2298562 O=C(C=Cc1ccccc1)N2CCC(C2)(F)F 11a_100000697292_100000210462 [0,1,0,1,0,0|2,0,0]=4 6559 B18R2.2298562 O=C(C=Cc1ccccc1)N2CCC(C2)(F)F 1626a_100000697292_100000210462 [0,1,0,1,0,0|2,0,0]=4 6560 B18R2.29839 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2Br 11a_100016987628_100000719032 [0,1,0,1,0,0|1,0,0]=3 6561 B18R2.29839 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2Br 240690a_100016987628_100000719032 [0,1,0,1,0,0|1,0,0]=3 6562 B18R2.29839 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2Cl 11a_100016987628_100000720304 [0,1,0,1,0,0|1,0,0]=3 6563 B18R2.29839 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2Cl 240690a_100016987628_100000720304 [0,1,0,1,0,0|1,0,0]=3 6564 B18R2.29839 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2F 11a_100016987628_100016256065 [0,1,0,1,0,0|1,0,0]=3 6565 B18R2.29839 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2F 240690a_100016987628_100016256065 [0,1,0,1,0,0|1,0,0]=3 6566 B18R2.29839 Cc1ccccc1C=CC(=O)N2CC[C@@H](C2)F 1626a_100015203821_100016266485 [0,1,0,1,0,0|2,0,0]=4 6567 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CCC(C2)O 240690a_100011215560_100000719032 [0,1,0,1,0,0|2,0,0]=4 6568 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CC[C@@H](C2)F 11a_100015203821_100000719032 [0,1,0,1,0,0|2,0,0]=4 6569 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CC[C@@H](C2)F 1626a_100015203821_100000719032 [0,1,0,1,0,0|2,0,0]=4 6570 B18R2.29839 O=C(C=Cc1ccccc1Br)N2CC[C@@H](C2)F 240690a_100015203821_100000719032 [0,1,0,1,0,0|2,0,0]=4 6571 B18R2.29839 O=C(C=Cc1ccccc1Cl)N2CCC(C2)O 240690a_100011215560_100000720304 [0,1,0,1,0,0|2,0,0]=4 6572 B18R2.29839 O=C(C=Cc1ccccc1Cl)N2CC[C@@H](C2)F 11a_100015203821_100000720304 [0,1,0,1,0,0|2,0,0]=4 6573 B18R2.29839 O=C(C=Cc1ccccc1Cl)N2CC[C@@H](C2)F 1626a_100015203821_100000720304 [0,1,0,1,0,0|2,0,0]=4 6574 B18R2.29839 O=C(C=Cc1ccccc1Cl)N2CC[C@@H](C2)F 240690a_100015203821_100000720304 [0,1,0,1,0,0|2,0,0]=4 6575 B18R2.29839 O=C(C=Cc1ccccc1F)N2CCC(C2)O 240690a_100011215560_100016256065 [0,1,0,1,0,0|2,0,0]=4 6576 B18R2.29839 O=C(C=Cc1ccccc1F)N2CC[C@@H](C2)F 11a_100015203821_100016256065 [0,1,0,1,0,0|2,0,0]=4 6577 B18R2.29839 O=C(C=Cc1ccccc1F)N2CC[C@@H](C2)F 1626a_100015203821_100016256065 [0,1,0,1,0,0|2,0,0]=4 6578 B18R2.29839 O=C(C=Cc1ccccc1F)N2CC[C@@H](C2)F 240690a_100015203821_100016256065 [0,1,0,1,0,0|2,0,0]=4 6579 B18R2.39587 CN1CC(C1)NC(=O)C=Cc2ccccc2Br 240690a_100015196640_100000719032 [0,1,0,1,0,0|2,0,0]=4 6580 B18R2.39587 CN1CC(C1)NC(=O)C=Cc2ccccc2Cl 240690a_100015196640_100000720304 [0,1,0,1,0,0|2,0,0]=4 6581 B18R2.39587 CN1CC(C1)NC(=O)C=Cc2ccccc2F 240690a_100015196640_100016256065 [0,1,0,1,0,0|2,0,0]=4 6582 B18R2.39587 Cc1ccccc1C=CC(=O)NC2CC(C2)F 1626a_100016993743_100016266485 [0,1,0,1,0,0|2,0,0]=4 6583 B18R2.39587 Cc1ccccc1C=CC(=O)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100016266485 [0,1,0,1,0,0|2,0,0]=4 6584 B18R2.39587 O=C(C=Cc1ccccc1Br)NC2CC(C2)F 11a_100016993743_100000719032 [0,1,0,1,0,0|2,0,0]=4 6585 B18R2.39587 O=C(C=Cc1ccccc1Br)NC2CC(C2)F 1626a_100016993743_100000719032 [0,1,0,1,0,0|2,0,0]=4 6586 B18R2.39587 O=C(C=Cc1ccccc1Br)NC2CC(C2)F 240690a_100016993743_100000719032 [0,1,0,1,0,0|2,0,0]=4 6587 B18R2.39587 O=C(C=Cc1ccccc1Br)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000719032 [0,1,0,1,0,0|2,0,0]=4 6588 B18R2.39587 O=C(C=Cc1ccccc1Br)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000719032 [0,1,0,1,0,0|2,0,0]=4 6589 B18R2.39587 O=C(C=Cc1ccccc1Br)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000719032 [0,1,0,1,0,0|2,0,0]=4 6590 B18R2.39587 O=C(C=Cc1ccccc1Cl)NC2CC(C2)F 11a_100016993743_100000720304 [0,1,0,1,0,0|2,0,0]=4 6591 B18R2.39587 O=C(C=Cc1ccccc1Cl)NC2CC(C2)F 1626a_100016993743_100000720304 [0,1,0,1,0,0|2,0,0]=4 6592 B18R2.39587 O=C(C=Cc1ccccc1Cl)NC2CC(C2)F 240690a_100016993743_100000720304 [0,1,0,1,0,0|2,0,0]=4 6593 B18R2.39587 O=C(C=Cc1ccccc1Cl)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000720304 [0,1,0,1,0,0|2,0,0]=4 6594 B18R2.39587 O=C(C=Cc1ccccc1Cl)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000720304 [0,1,0,1,0,0|2,0,0]=4 6595 B18R2.39587 O=C(C=Cc1ccccc1Cl)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000720304 [0,1,0,1,0,0|2,0,0]=4 6596 B18R2.39587 O=C(C=Cc1ccccc1F)NC2CC(C2)F 11a_100016993743_100016256065 [0,1,0,1,0,0|2,0,0]=4 6597 B18R2.39587 O=C(C=Cc1ccccc1F)NC2CC(C2)F 1626a_100016993743_100016256065 [0,1,0,1,0,0|2,0,0]=4 6598 B18R2.39587 O=C(C=Cc1ccccc1F)NC2CC(C2)F 240690a_100016993743_100016256065 [0,1,0,1,0,0|2,0,0]=4 6599 B18R2.39587 O=C(C=Cc1ccccc1F)N[C@H]2C[C@@H](C2)O 11a_100020629032_100016256065 [0,1,0,1,0,0|2,0,0]=4 6600 B18R2.39587 O=C(C=Cc1ccccc1F)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100016256065 [0,1,0,1,0,0|2,0,0]=4 6601 B18R2.39587 O=C(C=Cc1ccccc1F)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100016256065 [0,1,0,1,0,0|2,0,0]=4 6602 B18R2.59535 CC(C)CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210312 [0,1,0,1,0,0|2,0,0]=4 6603 B18R2.59535 CC(C)CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210626 [0,1,0,1,0,0|2,0,0]=4 6604 B18R2.59535 CC(C)CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210312 [0,1,0,1,0,0|2,0,0]=4 6605 B18R2.59535 CC(C)CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210626 [0,1,0,1,0,0|2,0,0]=4 6606 B18R2.59535 CC(C)CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210312 [0,1,0,1,0,0|2,0,0]=4 6607 B18R2.59535 CC(C)CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210626 [0,1,0,1,0,0|2,0,0]=4 6608 B18R2.59535 CC(C)CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210312 [0,1,0,1,0,0|1,0,0]=3 6609 B18R2.59535 CC(C)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210626 [0,1,0,1,0,0|1,0,0]=3 6610 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210312 [0,1,0,1,0,0|2,0,0]=4 6611 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210626 [0,1,0,1,0,0|2,0,0]=4 6612 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210312 [0,1,0,1,0,0|2,0,0]=4 6613 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210626 [0,1,0,1,0,0|2,0,0]=4 6614 B18R2.59535 CC(C)CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210312 [0,1,0,1,0,0|2,0,0]=4 6615 B18R2.59535 CC(C)CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210626 [0,1,0,1,0,0|2,0,0]=4 6616 B18R2.59535 CC(C)CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210312 [0,1,0,1,0,0|2,0,0]=4 6617 B18R2.59535 CC(C)CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210626 [0,1,0,1,0,0|2,0,0]=4 6618 B18R2.59535 CC(C)CCSc1ccc2c(cccc2c1)N 62a_100000210312_100010090037 [0,1,0,1,0,0|1,1,0]=4 6619 B18R2.59535 CC(C)CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210312 [0,1,0,1,0,0|1,1,0]=4 6620 B18R2.59535 CC(C)CCSc1ccc2c(cccc2c1)O 62a_100000210312_100010202202 [0,1,0,1,0,0|1,1,0]=4 6621 B18R2.59535 CC(C)OCOc1ccc2c(cccc2c1)N 34a_100000034668_100000709892 [0,1,0,1,0,0|2,0,0]=4 6622 B18R2.59535 CC(O)CCOc1ccc2c(cccc2c1)N 34a_100000034668_100012276601 [0,1,0,1,0,0|2,0,0]=4 6623 B18R2.59535 CC(O)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100012276601 [0,1,0,1,0,0|2,0,0]=4 6624 B18R2.59535 CN(C)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000755713 [0,1,0,1,0,0|2,0,0]=4 6625 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)C 34a_200009854145_100000210312 [0,1,0,1,0,0|2,0,0]=4 6626 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)C 7a_200009854145_100000210626 [0,1,0,1,0,0|2,0,0]=4 6627 B18R2.71602 CC(C)CCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100011214892 [0,1,0,1,0,0|1,0,0]=3 6628 B18R2.71602 CC(C)CCNC(=O)C1=Cc2ccccc2C1 11a_100000210545_100009862756 [0,1,0,1,0,0|1,0,0]=3 6629 B18R2.71602 CC(C)CCNC(=O)C1=Cc2ccccc2C1 1626a_100000210545_100009862756 [0,1,0,1,0,0|1,0,0]=3 6630 B18R2.71602 CC(C)CCNC(=O)C1=Cc2ccccc2C1 240690a_100000210545_100009862756 [0,1,0,1,0,0|1,0,0]=3 6631 B18R2.71602 CC(C)CCOC(C)c1cc2ccccc2o1 34a_100000198572_100000210312 [0,1,0,1,0,0|1,0,1]=4 6632 B18R2.71602 CC(C)CCOC(C)c1cc2ccccc2o1 7a_100000198572_100000210626 [0,1,0,1,0,0|1,0,1]=4 6633 B18R2.71602 CC(C)CNCC(=O)c1cc2ccccc2s1 2230a_100000210953_100012351422 [0,1,0,1,0,0|2,0,0]=4 6634 B18R2.71602 CC(C)CNNC(=O)C1=Cc2ccccc2C1 22a_100000696102_100009862756 [0,1,0,1,0,0|2,0,0]=4 6635 B18R2.71602 CC(C)CSCC(=O)c1cc2ccccc2o1 62a_100000210624_100000209828 [0,1,0,1,0,0|2,0,0]=4 6636 B18R2.71602 CC(C)CSCC(=O)c1cc2ccccc2s1 62a_100012351422_100000210760 [0,1,0,1,0,0|2,0,0]=4 6637 B18R2.71602 CC(C)OCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000211751 [0,1,0,1,0,0|2,0,0]=4 6638 B18R2.71602 CC(C)SCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000730970 [0,1,0,1,0,0|2,0,0]=4 6639 B18R2.71602 CC(O)CCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000718107 [0,1,0,1,0,0|2,0,0]=4 6640 B18R2.71602 CC(O)CCNC(=O)C1=Cc2ccccc2C1 240690a_200000755665_100009862756 [0,1,0,1,0,0|2,0,0]=4 6641 B18R2.71602 CN(C)CCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000695564 [0,1,0,1,0,0|2,0,0]=4 6642 B18R2.71602 CN(C)CCNC(=O)C1=Cc2ccccc2C1 240690a_100000210585_100009862756 [0,1,0,1,0,0|2,0,0]=4 6643 B18R2.334922 Cc1ccccc1C=CC(=O)NCCC2CC2 1626a_100000764129_100016266485 [0,1,0,1,0,0|1,0,0]=3 6644 B18R2.334922 Cc1ccccc1C=CC(=O)NNCC2CC2 22a_100000736359_100016266485 [0,1,0,1,0,0|2,0,0]=4 6645 B18R2.334922 O=C(C=Cc1ccccc1Br)CCCC2CO2 1458a_100000719032_100000733510 [0,1,0,1,0,0|2,0,0]=4 6646 B18R2.334922 O=C(C=Cc1ccccc1Br)NCCC2CC2 1626a_100000764129_100000719032 [0,1,0,1,0,0|1,0,0]=3 6647 B18R2.334922 O=C(C=Cc1ccccc1Br)NCCC2CC2 240690a_100000764129_100000719032 [0,1,0,1,0,0|1,0,0]=3 6648 B18R2.334922 O=C(C=Cc1ccccc1Br)NNCC2CC2 22a_100000736359_100000719032 [0,1,0,1,0,0|2,0,0]=4 6649 B18R2.334922 O=C(C=Cc1ccccc1Cl)CCCC2CO2 1458a_100000720304_100000733510 [0,1,0,1,0,0|2,0,0]=4 6650 B18R2.334922 O=C(C=Cc1ccccc1Cl)NCCC2CC2 1626a_100000764129_100000720304 [0,1,0,1,0,0|1,0,0]=3 6651 B18R2.334922 O=C(C=Cc1ccccc1Cl)NCCC2CC2 240690a_100000764129_100000720304 [0,1,0,1,0,0|1,0,0]=3 6652 B18R2.334922 O=C(C=Cc1ccccc1Cl)NNCC2CC2 22a_100000736359_100000720304 [0,1,0,1,0,0|2,0,0]=4 6653 B18R2.334922 O=C(C=Cc1ccccc1F)CCCC2CO2 1458a_100016256065_100000733510 [0,1,0,1,0,0|2,0,0]=4 6654 B18R2.334922 O=C(C=Cc1ccccc1F)NCCC2CC2 1626a_100000764129_100016256065 [0,1,0,1,0,0|1,0,0]=3 6655 B18R2.334922 O=C(C=Cc1ccccc1F)NCCC2CC2 240690a_100000764129_100016256065 [0,1,0,1,0,0|1,0,0]=3 6656 B18R2.334922 O=C(C=Cc1ccccc1F)NNCC2CC2 22a_100000736359_100016256065 [0,1,0,1,0,0|2,0,0]=4 6657 B18R2.334922 O=C(C=Cc1ccccc1O)CCCC2CO2 1458a_100016263591_100000733510 [0,1,0,1,0,0|2,0,0]=4 6658 B18R2.334922 O=C(C=Cc1ccccc1O)NNCC2CC2 22a_100000736359_100016263591 [0,1,0,1,0,0|2,0,0]=4 6659 B18R2.3715 C/C(=C\c1ccccc1)/C(=O)N2CCC(C2)O 527a_100011215560_100016990649 [0,1,0,1,0,0|2,0,0]=4 6660 B18R2.3715 C/C(=C\c1ccccc1)/C(=O)N2CC[C@@H](C2)F 11a_100015203821_100016990649 [0,1,0,1,0,0|2,0,0]=4 6661 B18R2.3715 C/C(=C\c1ccccc1)/C(=O)N2CC[C@@H](C2)F 1626a_100015203821_100016990649 [0,1,0,1,0,0|2,0,0]=4 6662 B18R2.3715 C/C(=C\c1ccccc1)/C(=O)N2CC[C@@H](C2)F 527a_100015203821_100016990649 [0,1,0,1,0,0|2,0,0]=4 6663 B18R2.3715 C/C(=C\c1ccccc1)/C(=O)N2CC[C@H](C2)C 11a_100016987628_100016990649 [0,1,0,1,0,0|1,0,0]=3 6664 B18R2.3715 C/C(=C\c1ccccc1)/C(=O)N2CC[C@H](C2)C 527a_100016987628_100016990649 [0,1,0,1,0,0|1,0,0]=3 6665 B18R2.3715 C/C(=C\c1ccccn1)/C(=O)N2CC[C@H](C2)C 11a_100016987628_100025712827 [0,1,0,1,0,0|2,0,0]=4 6666 B18R2.3715 C/C(=C\c1ccccn1)/C(=O)N2CC[C@H](C2)C 527a_100016987628_100025712827 [0,1,0,1,0,0|2,0,0]=4 6667 B18R2.3715 C=C(Cc1ccccc1)C(=O)N2CC[C@H](C2)C 11a_100016987628_100000066491 [0,1,0,1,0,0|1,0,1]=4 6668 B18R2.3715 C[C@@H]1CCN(C1)C(=O)/C(=C/c2ccccc2)/Cl 11a_100016987628_200020598536 [0,1,0,1,0,0|1,0,0]=3 6669 B18R2.3715 C[C@@H]1CCN(C1)C(=O)/C(=C/c2ccccc2)/Cl 240690a_100016987628_200020598536 [0,1,0,1,0,0|1,0,0]=3 6670 B18R2.3715 C[C@@H]1CCN(C1)C(=O)/C(=C/c2ccccc2)/Cl 527a_100016987628_200020598536 [0,1,0,1,0,0|1,0,0]=3 6671 B18R2.3715 C[C@@H]1CCN(C1)C(=O)/C(=C\c2ccccc2)/F 11a_100016987628_100020889036 [0,1,0,1,0,0|1,0,0]=3 6672 B18R2.3715 C[C@@H]1CCN(C1)C(=O)/C(=C\c2ccccc2)/F 527a_100016987628_100020889036 [0,1,0,1,0,0|1,0,0]=3 6673 B18R2.3715 C[C@@H]1CCN(C1)C(=O)C(=Cc2cccnc2)F 11a_100016987628_100000731744 [0,1,0,1,0,0|2,0,0]=4 6674 B18R2.3715 C[C@@H]1CCN(C1)C(=O)C(=Cc2cccnc2)F 240690a_100016987628_100000731744 [0,1,0,1,0,0|2,0,0]=4 6675 B18R2.3715 C[C@@H]1CCN(C1)C(=O)C(=Cc2cccnc2)F 527a_100016987628_100000731744 [0,1,0,1,0,0|2,0,0]=4 6676 B18R2.3715 C[C@@H]1CCN(C1)C(=O)C(=O)Nc2ccccc2 240690a_100016987628_100000738435 [0,1,0,1,0,0|2,0,0]=4 6677 B18R2.3715 O=C(/C(=C/c1ccccc1)/Cl)N2CCC(C2)O 240690a_100011215560_200020598536 [0,1,0,1,0,0|2,0,0]=4 6678 B18R2.3715 O=C(/C(=C/c1ccccc1)/Cl)N2CCC(C2)O 527a_100011215560_200020598536 [0,1,0,1,0,0|2,0,0]=4 6679 B18R2.3715 O=C(/C(=C/c1ccccc1)/Cl)N2CC[C@@H](C2)F 11a_100015203821_200020598536 [0,1,0,1,0,0|2,0,0]=4 6680 B18R2.3715 O=C(/C(=C/c1ccccc1)/Cl)N2CC[C@@H](C2)F 1626a_100015203821_200020598536 [0,1,0,1,0,0|2,0,0]=4 6681 B18R2.3715 O=C(/C(=C/c1ccccc1)/Cl)N2CC[C@@H](C2)F 240690a_100015203821_200020598536 [0,1,0,1,0,0|2,0,0]=4 6682 B18R2.3715 O=C(/C(=C/c1ccccc1)/Cl)N2CC[C@@H](C2)F 527a_100015203821_200020598536 [0,1,0,1,0,0|2,0,0]=4 6683 B18R2.3715 O=C(/C(=C\c1ccccc1)/F)N2CCC(C2)O 527a_100011215560_100020889036 [0,1,0,1,0,0|2,0,0]=4 6684 B18R2.3715 O=C(/C(=C\c1ccccc1)/F)N2CC[C@@H](C2)F 11a_100015203821_100020889036 [0,1,0,1,0,0|2,0,0]=4 6685 B18R2.3715 O=C(/C(=C\c1ccccc1)/F)N2CC[C@@H](C2)F 527a_100015203821_100020889036 [0,1,0,1,0,0|2,0,0]=4 6686 B18R2.6153 CC(C)CCNc1cc2ccccc2cc1Br 34a_100009991566_100000210312 [0,1,0,1,0,0|2,0,0]=4 6687 B18R2.6153 CC(C)CCNc1cc2ccccc2cc1Br 7a_100009991566_100000210626 [0,1,0,1,0,0|2,0,0]=4 6688 B18R2.6153 CC(C)CCOc1cc2ccccc2cc1Br 34a_100009817189_100000210312 [0,1,0,1,0,0|1,0,0]=3 6689 B18R2.6153 CC(C)CCOc1cc2ccccc2cc1Br 7a_100009817189_100000210626 [0,1,0,1,0,0|1,0,0]=3 6690 B18R2.6153 CC(C)CCOc1cc2ccccc2cc1N 34a_106744474703_100000210312 [0,1,0,1,0,0|1,0,0]=3 6691 B18R2.6153 CC(C)CCOc1cc2ccccc2cc1N 7a_106744474703_100000210626 [0,1,0,1,0,0|1,0,0]=3 6692 B18R2.6153 CC(C)CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210312 [0,1,0,1,0,0|2,0,0]=4 6693 B18R2.6153 CC(C)CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210626 [0,1,0,1,0,0|2,0,0]=4 6694 B18R2.6153 CC(C)CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210626 [0,1,0,1,0,0|2,0,0]=4 6695 B18R2.6153 CC(C)CCOc1cc2cccnc2cc1Br 34a_200010153759_100000210312 [0,1,0,1,0,0|2,0,0]=4 6696 B18R2.6153 CC(C)CCOc1cc2cccnc2cc1Br 7a_200010153759_100000210626 [0,1,0,1,0,0|2,0,0]=4 6697 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1Br 62a_100000210312_200010169544 [0,1,0,1,0,0|1,1,0]=4 6698 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1Br 62a_200010169544_100000210312 [0,1,0,1,0,0|1,1,0]=4 6699 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1Cl 62a_100000210312_100010152806 [0,1,0,1,0,0|1,1,0]=4 6700 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000210312 [0,1,0,1,0,0|1,1,0]=4 6701 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1N 62a_100000210312_100009991566 [0,1,0,1,0,0|1,1,0]=4 6702 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1N 62a_100009991566_100000210312 [0,1,0,1,0,0|1,1,0]=4 6703 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1O 62a_100000210312_100009817189 [0,1,0,1,0,0|1,1,0]=4 6704 B18R2.6153 CC(C)CCSc1nc2ccccc2cc1Br 62a_100000210312_100010072790 [0,1,0,1,0,0|1,1,0]=4 6705 B18R2.6153 CC(C)CCSc1nc2ccccc2cc1Br 62a_100010072790_100000210312 [0,1,0,1,0,0|1,1,0]=4 6706 B18R2.6153 CC(C)CCSc1nc2ccccc2cc1O 62a_100000210312_200000100762 [0,1,0,1,0,0|1,1,0]=4 6707 B18R2.6153 CC(C)OCOc1cc2ccccc2cc1Br 34a_100009817189_100000709892 [0,1,0,1,0,0|2,0,0]=4 6708 B18R2.6153 CC(C)OCOc1cc2ccccc2cc1N 34a_106744474703_100000709892 [0,1,0,1,0,0|2,0,0]=4 6709 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1Br 34a_100009817189_100012276601 [0,1,0,1,0,0|2,0,0]=4 6710 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1Br 7a_100009817189_100012276601 [0,1,0,1,0,0|2,0,0]=4 6711 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1N 34a_106744474703_100012276601 [0,1,0,1,0,0|2,0,0]=4 6712 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1N 7a_106744474703_100012276601 [0,1,0,1,0,0|2,0,0]=4 6713 B18R2.6153 CN(C)CCOc1cc2ccccc2cc1Br 7a_100009817189_100000755713 [0,1,0,1,0,0|2,0,0]=4 6714 B18R2.6153 CN(C)CCOc1cc2ccccc2cc1N 7a_106744474703_100000755713 [0,1,0,1,0,0|2,0,0]=4 6715 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)C 34a_100000091601_100000210312 [0,1,0,1,0,0|1,0,0]=3 6716 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)C 7a_100000091601_100000210626 [0,1,0,1,0,0|1,0,0]=3 6717 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)O 34a_100000091601_100012276601 [0,1,0,1,0,0|2,0,0]=4 6718 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)O 7a_100000091601_100012276601 [0,1,0,1,0,0|2,0,0]=4 6719 B18R2.6153 Cc1cc2ccccc2cc1OCCN(C)C 7a_100000091601_100000755713 [0,1,0,1,0,0|2,0,0]=4 6720 B18R2.6153 Cc1cc2ccccc2cc1OCOC(C)C 34a_100000091601_100000709892 [0,1,0,1,0,0|2,0,0]=4 6721 B18R2.6153 Cc1cc2ccccc2nc1NCCC(C)C 27a_100000210545_100000751756 [0,1,0,1,0,0|2,0,0]=4 6722 B18R2.6153 Cc1cc2ccccc2nc1SCCC(C)C 62a_100000210312_100000751756 [0,1,0,1,0,0|1,1,0]=4 6723 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)C 34a_200000079175_100000210312 [0,1,0,1,0,0|2,0,0]=4 6724 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)C 7a_200000079175_100000210626 [0,1,0,1,0,0|2,0,0]=4 6725 B18R2.6415 C/C(=C\c1ccccc1)/C(=O)NC2CC(C2)F 11a_100016993743_100016990649 [0,1,0,1,0,0|2,0,0]=4 6726 B18R2.6415 C/C(=C\c1ccccc1)/C(=O)NC2CC(C2)F 1626a_100016993743_100016990649 [0,1,0,1,0,0|2,0,0]=4 6727 B18R2.6415 C/C(=C\c1ccccc1)/C(=O)NC2CC(C2)F 527a_100016993743_100016990649 [0,1,0,1,0,0|2,0,0]=4 6728 B18R2.6415 C/C(=C\c1ccccc1)/C(=O)N[C@H]2C[C@@H](C2)O 11a_100020629032_100016990649 [0,1,0,1,0,0|2,0,0]=4 6729 B18R2.6415 C/C(=C\c1ccccc1)/C(=O)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100016990649 [0,1,0,1,0,0|2,0,0]=4 6730 B18R2.6415 C/C(=C\c1ccccc1)/C(=O)N[C@H]2C[C@@H](C2)O 527a_100020629032_100016990649 [0,1,0,1,0,0|2,0,0]=4 6731 B18R2.6415 CN1CC(C1)NC(=O)/C(=C/c2ccccc2)/Cl 240690a_100015196640_200020598536 [0,1,0,1,0,0|2,0,0]=4 6732 B18R2.6415 O=C(NC1CC(C1)F)/C(=C/c2ccccc2)/Cl 11a_100016993743_200020598536 [0,1,0,1,0,0|2,0,0]=4 6733 B18R2.6415 O=C(NC1CC(C1)F)/C(=C/c2ccccc2)/Cl 1626a_100016993743_200020598536 [0,1,0,1,0,0|2,0,0]=4 6734 B18R2.6415 O=C(NC1CC(C1)F)/C(=C/c2ccccc2)/Cl 240690a_100016993743_200020598536 [0,1,0,1,0,0|2,0,0]=4 6735 B18R2.6415 O=C(NC1CC(C1)F)/C(=C/c2ccccc2)/Cl 527a_100016993743_200020598536 [0,1,0,1,0,0|2,0,0]=4 6736 B18R2.6415 O=C(NC1CC(C1)F)/C(=C\c2ccccc2)/F 11a_100016993743_100020889036 [0,1,0,1,0,0|2,0,0]=4 6737 B18R2.6415 O=C(NC1CC(C1)F)/C(=C\c2ccccc2)/F 527a_100016993743_100020889036 [0,1,0,1,0,0|2,0,0]=4 6738 B18R2.6415 O=C(N[C@H]1C[C@@H](C1)O)/C(=C/c2ccccc2)/Cl 11a_100020629032_200020598536 [0,1,0,1,0,0|2,0,0]=4 6739 B18R2.6415 O=C(N[C@H]1C[C@@H](C1)O)/C(=C/c2ccccc2)/Cl 1626a_100020629032_200020598536 [0,1,0,1,0,0|2,0,0]=4 6740 B18R2.6415 O=C(N[C@H]1C[C@@H](C1)O)/C(=C/c2ccccc2)/Cl 240690a_100020629032_200020598536 [0,1,0,1,0,0|2,0,0]=4 6741 B18R2.6415 O=C(N[C@H]1C[C@@H](C1)O)/C(=C/c2ccccc2)/Cl 527a_100020629032_200020598536 [0,1,0,1,0,0|2,0,0]=4 6742 B18R2.6415 O=C(N[C@H]1C[C@@H](C1)O)/C(=C\c2ccccc2)/F 11a_100020629032_100020889036 [0,1,0,1,0,0|2,0,0]=4 6743 B18R2.6415 O=C(N[C@H]1C[C@@H](C1)O)/C(=C\c2ccccc2)/F 527a_100020629032_100020889036 [0,1,0,1,0,0|2,0,0]=4 6744 B18R2.72632 C/C(=C\c1ccccc1)/C(=O)CCCC2CO2 1458a_100016990649_100000733510 [0,1,0,1,0,0|2,0,0]=4 6745 B18R2.72632 C/C(=C\c1ccccc1)/C(=O)NCCC2CC2 1626a_100000764129_100016990649 [0,1,0,1,0,0|1,0,0]=3 6746 B18R2.72632 C/C(=C\c1ccccc1)/C(=O)NCCC2CC2 527a_100000764129_100016990649 [0,1,0,1,0,0|1,0,0]=3 6747 B18R2.72632 C/C(=C\c1ccccc1)/C(=O)NNCC2CC2 22a_100000736359_100016990649 [0,1,0,1,0,0|2,0,0]=4 6748 B18R2.72632 C/C(=C\c1ccccn1)/C(=O)NCCC2CC2 1626a_100000764129_100025712827 [0,1,0,1,0,0|2,0,0]=4 6749 B18R2.72632 C/C(=C\c1ccccn1)/C(=O)NCCC2CC2 527a_100000764129_100025712827 [0,1,0,1,0,0|2,0,0]=4 6750 B18R2.72632 C=C(Cc1ccccc1)C(=O)NCCC2CC2 1626a_100000764129_100000066491 [0,1,0,1,0,0|1,0,1]=4 6751 B18R2.72632 O=C(CCCC1CO1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000733510 [0,1,0,1,0,0|2,0,0]=4 6752 B18R2.72632 O=C(CCCC1CO1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000733510 [0,1,0,1,0,0|2,0,0]=4 6753 B18R2.72632 O=C(NCCC1CC1)/C(=C/c2ccccc2)/Cl 1626a_100000764129_200020598536 [0,1,0,1,0,0|1,0,0]=3 6754 B18R2.72632 O=C(NCCC1CC1)/C(=C/c2ccccc2)/Cl 240690a_100000764129_200020598536 [0,1,0,1,0,0|1,0,0]=3 6755 B18R2.72632 O=C(NCCC1CC1)/C(=C/c2ccccc2)/Cl 527a_100000764129_200020598536 [0,1,0,1,0,0|1,0,0]=3 6756 B18R2.72632 O=C(NCCC1CC1)/C(=C\c2ccccc2)/F 527a_100000764129_100020889036 [0,1,0,1,0,0|1,0,0]=3 6757 B18R2.72632 O=C(NCCC1CC1)C(=Cc2cccnc2)F 240690a_100000764129_100000731744 [0,1,0,1,0,0|2,0,0]=4 6758 B18R2.72632 O=C(NCCC1CC1)C(=Cc2cccnc2)F 527a_100000764129_100000731744 [0,1,0,1,0,0|2,0,0]=4 6759 B18R2.72632 O=C(NCCC1CC1)C(=O)Nc2ccccc2 240690a_100000764129_100000738435 [0,1,0,1,0,0|2,0,0]=4 6760 B18R2.72632 O=C(NNCC1CC1)/C(=C/c2ccccc2)/Cl 22a_100000736359_200020598536 [0,1,0,1,0,0|2,0,0]=4 6761 B18R2.72632 O=C(NNCC1CC1)/C(=C\c2ccccc2)/F 22a_100000736359_100020889036 [0,1,0,1,0,0|2,0,0]=4 6762 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)Br 11a_100016987628_100016258244 [0,1,0,1,0,0|1,0,0]=3 6763 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)Br 240690a_100016987628_100016258244 [0,1,0,1,0,0|1,0,0]=3 6764 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)Cl 11a_100016987628_100000184502 [0,1,0,1,0,0|1,0,0]=3 6765 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)Cl 240690a_100016987628_100000184502 [0,1,0,1,0,0|1,0,0]=3 6766 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)F 11a_100016987628_100000718793 [0,1,0,1,0,0|1,0,0]=3 6767 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)F 240690a_100016987628_100000718793 [0,1,0,1,0,0|1,0,0]=3 6768 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)I 11a_100016987628_100020647043 [0,1,0,1,0,0|1,0,0]=3 6769 B18R2.6468 C[C@@H]1CCN(C1)C(=O)C=Cc2cccc(c2)I 240690a_100016987628_100020647043 [0,1,0,1,0,0|1,0,0]=3 6770 B18R2.6468 Cc1cccc(c1)C=CC(=O)N2CCC(C2)O 240690a_100011215560_100000690095 [0,1,0,1,0,0|2,0,0]=4 6771 B18R2.6468 Cc1cccc(c1)C=CC(=O)N2CC[C@@H](C2)F 11a_100015203821_100000690095 [0,1,0,1,0,0|2,0,0]=4 6772 B18R2.6468 Cc1cccc(c1)C=CC(=O)N2CC[C@@H](C2)F 1626a_100015203821_100000690095 [0,1,0,1,0,0|2,0,0]=4 6773 B18R2.6468 Cc1cccc(c1)C=CC(=O)N2CC[C@@H](C2)F 240690a_100015203821_100000690095 [0,1,0,1,0,0|2,0,0]=4 6774 B18R2.6468 Cc1cccc(c1)C=CC(=O)N2CC[C@H](C2)C 11a_100016987628_100000690095 [0,1,0,1,0,0|1,0,0]=3 6775 B18R2.6468 Cc1cccc(c1)C=CC(=O)N2CC[C@H](C2)C 240690a_100016987628_100000690095 [0,1,0,1,0,0|1,0,0]=3 6776 B18R2.6468 O=C(C=Cc1cccc(c1)Br)N2CCC(C2)O 240690a_100011215560_100016258244 [0,1,0,1,0,0|2,0,0]=4 6777 B18R2.6468 O=C(C=Cc1cccc(c1)Br)N2CC[C@@H](C2)F 11a_100015203821_100016258244 [0,1,0,1,0,0|2,0,0]=4 6778 B18R2.6468 O=C(C=Cc1cccc(c1)Br)N2CC[C@@H](C2)F 1626a_100015203821_100016258244 [0,1,0,1,0,0|2,0,0]=4 6779 B18R2.6468 O=C(C=Cc1cccc(c1)Br)N2CC[C@@H](C2)F 240690a_100015203821_100016258244 [0,1,0,1,0,0|2,0,0]=4 6780 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CCC(C2)O 240690a_100011215560_100000184502 [0,1,0,1,0,0|2,0,0]=4 6781 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CC[C@@H](C2)F 11a_100015203821_100000184502 [0,1,0,1,0,0|2,0,0]=4 6782 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CC[C@@H](C2)F 1626a_100015203821_100000184502 [0,1,0,1,0,0|2,0,0]=4 6783 B18R2.6468 O=C(C=Cc1cccc(c1)Cl)N2CC[C@@H](C2)F 240690a_100015203821_100000184502 [0,1,0,1,0,0|2,0,0]=4 6784 B18R2.6468 O=C(C=Cc1cccc(c1)F)N2CCC(C2)O 240690a_100011215560_100000718793 [0,1,0,1,0,0|2,0,0]=4 6785 B18R2.6468 O=C(C=Cc1cccc(c1)F)N2CC[C@@H](C2)F 11a_100015203821_100000718793 [0,1,0,1,0,0|2,0,0]=4 6786 B18R2.6468 O=C(C=Cc1cccc(c1)F)N2CC[C@@H](C2)F 1626a_100015203821_100000718793 [0,1,0,1,0,0|2,0,0]=4 6787 B18R2.6468 O=C(C=Cc1cccc(c1)F)N2CC[C@@H](C2)F 240690a_100015203821_100000718793 [0,1,0,1,0,0|2,0,0]=4 6788 B18R2.6468 O=C(C=Cc1cccc(c1)I)N2CCC(C2)O 240690a_100011215560_100020647043 [0,1,0,1,0,0|2,0,0]=4 6789 B18R2.6468 O=C(C=Cc1cccc(c1)I)N2CC[C@@H](C2)F 11a_100015203821_100020647043 [0,1,0,1,0,0|2,0,0]=4 6790 B18R2.6468 O=C(C=Cc1cccc(c1)I)N2CC[C@@H](C2)F 1626a_100015203821_100020647043 [0,1,0,1,0,0|2,0,0]=4 6791 B18R2.6468 O=C(C=Cc1cccc(c1)I)N2CC[C@@H](C2)F 240690a_100015203821_100020647043 [0,1,0,1,0,0|2,0,0]=4 6792 B18R2.31156 CN1CC(C1)NC(=O)C=Cc2cccc(c2)Br 240690a_100015196640_100016258244 [0,1,0,1,0,0|2,0,0]=4 6793 B18R2.31156 CN1CC(C1)NC(=O)C=Cc2cccc(c2)Cl 240690a_100015196640_100000184502 [0,1,0,1,0,0|2,0,0]=4 6794 B18R2.31156 CN1CC(C1)NC(=O)C=Cc2cccc(c2)F 240690a_100015196640_100000718793 [0,1,0,1,0,0|2,0,0]=4 6795 B18R2.31156 CN1CC(C1)NC(=O)C=Cc2cccc(c2)I 240690a_100015196640_100020647043 [0,1,0,1,0,0|2,0,0]=4 6796 B18R2.31156 Cc1cccc(c1)C=CC(=O)NC2CC(C2)F 11a_100016993743_100000690095 [0,1,0,1,0,0|2,0,0]=4 6797 B18R2.31156 Cc1cccc(c1)C=CC(=O)NC2CC(C2)F 1626a_100016993743_100000690095 [0,1,0,1,0,0|2,0,0]=4 6798 B18R2.31156 Cc1cccc(c1)C=CC(=O)NC2CC(C2)F 240690a_100016993743_100000690095 [0,1,0,1,0,0|2,0,0]=4 6799 B18R2.31156 Cc1cccc(c1)C=CC(=O)NC2CN(C2)C 240690a_100015196640_100000690095 [0,1,0,1,0,0|2,0,0]=4 6800 B18R2.31156 Cc1cccc(c1)C=CC(=O)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000690095 [0,1,0,1,0,0|2,0,0]=4 6801 B18R2.31156 Cc1cccc(c1)C=CC(=O)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000690095 [0,1,0,1,0,0|2,0,0]=4 6802 B18R2.31156 Cc1cccc(c1)C=CC(=O)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000690095 [0,1,0,1,0,0|2,0,0]=4 6803 B18R2.31156 O=C(C=Cc1cccc(c1)Br)NC2CC(C2)F 11a_100016993743_100016258244 [0,1,0,1,0,0|2,0,0]=4 6804 B18R2.31156 O=C(C=Cc1cccc(c1)Br)NC2CC(C2)F 1626a_100016993743_100016258244 [0,1,0,1,0,0|2,0,0]=4 6805 B18R2.31156 O=C(C=Cc1cccc(c1)Br)NC2CC(C2)F 240690a_100016993743_100016258244 [0,1,0,1,0,0|2,0,0]=4 6806 B18R2.31156 O=C(C=Cc1cccc(c1)Br)N[C@H]2C[C@@H](C2)O 11a_100020629032_100016258244 [0,1,0,1,0,0|2,0,0]=4 6807 B18R2.31156 O=C(C=Cc1cccc(c1)Br)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100016258244 [0,1,0,1,0,0|2,0,0]=4 6808 B18R2.31156 O=C(C=Cc1cccc(c1)Br)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100016258244 [0,1,0,1,0,0|2,0,0]=4 6809 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)NC2CC(C2)F 11a_100016993743_100000184502 [0,1,0,1,0,0|2,0,0]=4 6810 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)NC2CC(C2)F 1626a_100016993743_100000184502 [0,1,0,1,0,0|2,0,0]=4 6811 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)NC2CC(C2)F 240690a_100016993743_100000184502 [0,1,0,1,0,0|2,0,0]=4 6812 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000184502 [0,1,0,1,0,0|2,0,0]=4 6813 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000184502 [0,1,0,1,0,0|2,0,0]=4 6814 B18R2.31156 O=C(C=Cc1cccc(c1)Cl)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000184502 [0,1,0,1,0,0|2,0,0]=4 6815 B18R2.31156 O=C(C=Cc1cccc(c1)F)NC2CC(C2)F 11a_100016993743_100000718793 [0,1,0,1,0,0|2,0,0]=4 6816 B18R2.31156 O=C(C=Cc1cccc(c1)F)NC2CC(C2)F 1626a_100016993743_100000718793 [0,1,0,1,0,0|2,0,0]=4 6817 B18R2.31156 O=C(C=Cc1cccc(c1)F)NC2CC(C2)F 240690a_100016993743_100000718793 [0,1,0,1,0,0|2,0,0]=4 6818 B18R2.31156 O=C(C=Cc1cccc(c1)F)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000718793 [0,1,0,1,0,0|2,0,0]=4 6819 B18R2.31156 O=C(C=Cc1cccc(c1)F)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000718793 [0,1,0,1,0,0|2,0,0]=4 6820 B18R2.31156 O=C(C=Cc1cccc(c1)F)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000718793 [0,1,0,1,0,0|2,0,0]=4 6821 B18R2.31156 O=C(C=Cc1cccc(c1)I)NC2CC(C2)F 11a_100016993743_100020647043 [0,1,0,1,0,0|2,0,0]=4 6822 B18R2.31156 O=C(C=Cc1cccc(c1)I)NC2CC(C2)F 1626a_100016993743_100020647043 [0,1,0,1,0,0|2,0,0]=4 6823 B18R2.31156 O=C(C=Cc1cccc(c1)I)NC2CC(C2)F 240690a_100016993743_100020647043 [0,1,0,1,0,0|2,0,0]=4 6824 B18R2.31156 O=C(C=Cc1cccc(c1)I)N[C@H]2C[C@@H](C2)O 11a_100020629032_100020647043 [0,1,0,1,0,0|2,0,0]=4 6825 B18R2.31156 O=C(C=Cc1cccc(c1)I)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100020647043 [0,1,0,1,0,0|2,0,0]=4 6826 B18R2.31156 O=C(C=Cc1cccc(c1)I)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100020647043 [0,1,0,1,0,0|2,0,0]=4 6827 B18R2.273536 CC(C)CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210312 [0,1,0,1,0,0|2,0,0]=4 6828 B18R2.273536 CC(C)CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210626 [0,1,0,1,0,0|2,0,0]=4 6829 B18R2.273536 CC(C)CCNc1ccc2cc(ccc2n1)F 27a_100000210545_100011998705 [0,1,0,1,0,0|2,0,0]=4 6830 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210312 [0,1,0,1,0,0|1,0,0]=3 6831 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210626 [0,1,0,1,0,0|1,0,0]=3 6832 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210312 [0,1,0,1,0,0|1,0,0]=3 6833 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210626 [0,1,0,1,0,0|1,0,0]=3 6834 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210312 [0,1,0,1,0,0|1,0,0]=3 6835 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210626 [0,1,0,1,0,0|1,0,0]=3 6836 B18R2.273536 CC(C)CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210312 [0,1,0,1,0,0|2,0,0]=4 6837 B18R2.273536 CC(C)CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210626 [0,1,0,1,0,0|2,0,0]=4 6838 B18R2.273536 CC(C)CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210312 [0,1,0,1,0,0|2,0,0]=4 6839 B18R2.273536 CC(C)CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210626 [0,1,0,1,0,0|2,0,0]=4 6840 B18R2.273536 CC(C)CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210312 [0,1,0,1,0,0|2,0,0]=4 6841 B18R2.273536 CC(C)CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210626 [0,1,0,1,0,0|2,0,0]=4 6842 B18R2.273536 CC(C)CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210312 [0,1,0,1,0,0|2,0,0]=4 6843 B18R2.273536 CC(C)CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210626 [0,1,0,1,0,0|2,0,0]=4 6844 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)Br 62a_100000210312_100012344972 [0,1,0,1,0,0|1,1,0]=4 6845 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210312 [0,1,0,1,0,0|1,1,0]=4 6846 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)F 62a_100000210312_100009817052 [0,1,0,1,0,0|1,1,0]=4 6847 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210312 [0,1,0,1,0,0|1,1,0]=4 6848 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210312 [0,1,0,1,0,0|1,1,0]=4 6849 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)N 62a_100000210312_100000185457 [0,1,0,1,0,0|1,1,0]=4 6850 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)O 62a_100000210312_100000185455 [0,1,0,1,0,0|1,1,0]=4 6851 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2n1)F 62a_100000210312_100011998705 [0,1,0,1,0,0|1,1,0]=4 6852 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210312 [0,1,0,1,0,0|1,1,0]=4 6853 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2n1)O 62a_100000210312_100009849208 [0,1,0,1,0,0|1,1,0]=4 6854 B18R2.273536 CC(C)OCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000709892 [0,1,0,1,0,0|2,0,0]=4 6855 B18R2.273536 CC(C)OCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000709892 [0,1,0,1,0,0|2,0,0]=4 6856 B18R2.273536 CC(C)OCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000709892 [0,1,0,1,0,0|2,0,0]=4 6857 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100012276601 [0,1,0,1,0,0|2,0,0]=4 6858 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100012276601 [0,1,0,1,0,0|2,0,0]=4 6859 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100012276601 [0,1,0,1,0,0|2,0,0]=4 6860 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100012276601 [0,1,0,1,0,0|2,0,0]=4 6861 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100012276601 [0,1,0,1,0,0|2,0,0]=4 6862 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100012276601 [0,1,0,1,0,0|2,0,0]=4 6863 B18R2.273536 CN(C)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000755713 [0,1,0,1,0,0|2,0,0]=4 6864 B18R2.273536 CN(C)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000755713 [0,1,0,1,0,0|2,0,0]=4 6865 B18R2.273536 CN(C)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000755713 [0,1,0,1,0,0|2,0,0]=4 6866 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)C 34a_100000074090_100000210312 [0,1,0,1,0,0|1,0,0]=3 6867 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)C 7a_100000074090_100000210626 [0,1,0,1,0,0|1,0,0]=3 6868 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)O 34a_100000074090_100012276601 [0,1,0,1,0,0|2,0,0]=4 6869 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)O 7a_100000074090_100012276601 [0,1,0,1,0,0|2,0,0]=4 6870 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCN(C)C 7a_100000074090_100000755713 [0,1,0,1,0,0|2,0,0]=4 6871 B18R2.273536 Cc1ccc2cc(ccc2c1)OCOC(C)C 34a_100000074090_100000709892 [0,1,0,1,0,0|2,0,0]=4 6872 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)C 34a_100000037634_100000210312 [0,1,0,1,0,0|2,0,0]=4 6873 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)C 7a_100000037634_100000210626 [0,1,0,1,0,0|2,0,0]=4 6874 B18R2.273536 Cc1ccc2nc(ccc2c1)NCCC(C)C 27a_100000210545_100011865911 [0,1,0,1,0,0|2,0,0]=4 6875 B18R2.273536 Cc1ccc2nc(ccc2c1)SCCC(C)C 62a_100000210312_100011865911 [0,1,0,1,0,0|1,1,0]=4 6876 B18R2.273536 Cc1ccc2nc(ccc2c1)SCCC(C)C 62a_200000181977_100000210312 [0,1,0,1,0,0|1,1,0]=4 6877 B18R2.483955 CC(C)CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210312 [0,1,0,1,0,0|2,0,0]=4 6878 B18R2.483955 CC(C)CCNc1ccc2cccc(c2n1)O 27a_100000210545_100010153751 [0,1,0,1,0,0|2,0,0]=4 6879 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210312 [0,1,0,1,0,0|1,0,0]=3 6880 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210626 [0,1,0,1,0,0|1,0,0]=3 6881 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210312 [0,1,0,1,0,0|1,0,0]=3 6882 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210626 [0,1,0,1,0,0|1,0,0]=3 6883 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210312 [0,1,0,1,0,0|1,0,0]=3 6884 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210626 [0,1,0,1,0,0|1,0,0]=3 6885 B18R2.483955 CC(C)CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210312 [0,1,0,1,0,0|2,0,0]=4 6886 B18R2.483955 CC(C)CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210626 [0,1,0,1,0,0|2,0,0]=4 6887 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210312 [0,1,0,1,0,0|2,0,0]=4 6888 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210626 [0,1,0,1,0,0|2,0,0]=4 6889 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210312 [0,1,0,1,0,0|2,0,0]=4 6890 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210626 [0,1,0,1,0,0|2,0,0]=4 6891 B18R2.483955 CC(C)CCSc1ccc2cccc(c2c1)N 62a_100000210312_100010090012 [0,1,0,1,0,0|1,1,0]=4 6892 B18R2.483955 CC(C)CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210312 [0,1,0,1,0,0|1,1,0]=4 6893 B18R2.483955 CC(C)CCSc1ccc2cccc(c2c1)O 62a_100000210312_100010089991 [0,1,0,1,0,0|1,1,0]=4 6894 B18R2.483955 CC(C)CCSc1ccc2cccc(c2n1)F 62a_100000210312_100012017632 [0,1,0,1,0,0|1,1,0]=4 6895 B18R2.483955 CC(C)CCSc1ccc2cccc(c2n1)O 62a_100000210312_100000013812 [0,1,0,1,0,0|1,1,0]=4 6896 B18R2.483955 CC(C)OCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000709892 [0,1,0,1,0,0|2,0,0]=4 6897 B18R2.483955 CC(C)OCOc1ccc2cccc(c2c1)F 34a_100000091619_100000709892 [0,1,0,1,0,0|2,0,0]=4 6898 B18R2.483955 CC(C)OCOc1ccc2cccc(c2c1)N 34a_100000034012_100000709892 [0,1,0,1,0,0|2,0,0]=4 6899 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100012276601 [0,1,0,1,0,0|2,0,0]=4 6900 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100012276601 [0,1,0,1,0,0|2,0,0]=4 6901 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)F 34a_100000091619_100012276601 [0,1,0,1,0,0|2,0,0]=4 6902 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100012276601 [0,1,0,1,0,0|2,0,0]=4 6903 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)N 34a_100000034012_100012276601 [0,1,0,1,0,0|2,0,0]=4 6904 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100012276601 [0,1,0,1,0,0|2,0,0]=4 6905 B18R2.483955 CN(C)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000755713 [0,1,0,1,0,0|2,0,0]=4 6906 B18R2.483955 CN(C)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000755713 [0,1,0,1,0,0|2,0,0]=4 6907 B18R2.483955 CN(C)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000755713 [0,1,0,1,0,0|2,0,0]=4 6908 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)C 34a_200000091600_100000210312 [0,1,0,1,0,0|1,0,0]=3 6909 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)C 7a_200000091600_100000210626 [0,1,0,1,0,0|1,0,0]=3 6910 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)O 34a_200000091600_100012276601 [0,1,0,1,0,0|2,0,0]=4 6911 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)O 7a_200000091600_100012276601 [0,1,0,1,0,0|2,0,0]=4 6912 B18R2.483955 Cc1cccc2c1cc(cc2)OCCN(C)C 7a_200000091600_100000755713 [0,1,0,1,0,0|2,0,0]=4 6913 B18R2.483955 Cc1cccc2c1cc(cc2)OCOC(C)C 34a_200000091600_100000709892 [0,1,0,1,0,0|2,0,0]=4 6914 B18R2.483955 Cc1cccc2c1cc(cc2)SCCC(C)C 62a_100000210312_100010089936 [0,1,0,1,0,0|1,1,0]=4 6915 B18R2.483955 Cc1cccc2c1nc(cc2)NCCC(C)C 27a_100000210545_100012002297 [0,1,0,1,0,0|2,0,0]=4 6916 B18R2.483955 Cc1cccc2c1nc(cc2)SCCC(C)C 62a_100000210312_100012002297 [0,1,0,1,0,0|1,1,0]=4 6917 B18R2.523537 Cc1cccc(c1)C=CC(=O)CCCC2CO2 1458a_100000690095_100000733510 [0,1,0,1,0,0|2,0,0]=4 6918 B18R2.523537 Cc1cccc(c1)C=CC(=O)NCCC2CC2 1626a_100000764129_100000690095 [0,1,0,1,0,0|1,0,0]=3 6919 B18R2.523537 Cc1cccc(c1)C=CC(=O)NCCC2CC2 240690a_100000764129_100000690095 [0,1,0,1,0,0|1,0,0]=3 6920 B18R2.523537 Cc1cccc(c1)C=CC(=O)NNCC2CC2 22a_100000736359_100000690095 [0,1,0,1,0,0|2,0,0]=4 6921 B18R2.523537 O=C(C=Cc1cccc(c1)Br)CCCC2CO2 1458a_100016258244_100000733510 [0,1,0,1,0,0|2,0,0]=4 6922 B18R2.523537 O=C(C=Cc1cccc(c1)Br)NCCC2CC2 1626a_100000764129_100016258244 [0,1,0,1,0,0|1,0,0]=3 6923 B18R2.523537 O=C(C=Cc1cccc(c1)Br)NCCC2CC2 240690a_100000764129_100016258244 [0,1,0,1,0,0|1,0,0]=3 6924 B18R2.523537 O=C(C=Cc1cccc(c1)Br)NNCC2CC2 22a_100000736359_100016258244 [0,1,0,1,0,0|2,0,0]=4 6925 B18R2.523537 O=C(C=Cc1cccc(c1)Cl)CCCC2CO2 1458a_100000184502_100000733510 [0,1,0,1,0,0|2,0,0]=4 6926 B18R2.523537 O=C(C=Cc1cccc(c1)Cl)NCCC2CC2 1626a_100000764129_100000184502 [0,1,0,1,0,0|1,0,0]=3 6927 B18R2.523537 O=C(C=Cc1cccc(c1)Cl)NCCC2CC2 240690a_100000764129_100000184502 [0,1,0,1,0,0|1,0,0]=3 6928 B18R2.523537 O=C(C=Cc1cccc(c1)Cl)NNCC2CC2 22a_100000736359_100000184502 [0,1,0,1,0,0|2,0,0]=4 6929 B18R2.523537 O=C(C=Cc1cccc(c1)F)CCCC2CO2 1458a_100000718793_100000733510 [0,1,0,1,0,0|2,0,0]=4 6930 B18R2.523537 O=C(C=Cc1cccc(c1)F)NCCC2CC2 1626a_100000764129_100000718793 [0,1,0,1,0,0|1,0,0]=3 6931 B18R2.523537 O=C(C=Cc1cccc(c1)F)NCCC2CC2 240690a_100000764129_100000718793 [0,1,0,1,0,0|1,0,0]=3 6932 B18R2.523537 O=C(C=Cc1cccc(c1)F)NNCC2CC2 22a_100000736359_100000718793 [0,1,0,1,0,0|2,0,0]=4 6933 B18R2.523537 O=C(C=Cc1cccc(c1)I)CCCC2CO2 1458a_100020647043_100000733510 [0,1,0,1,0,0|2,0,0]=4 6934 B18R2.523537 O=C(C=Cc1cccc(c1)I)NCCC2CC2 1626a_100000764129_100020647043 [0,1,0,1,0,0|1,0,0]=3 6935 B18R2.523537 O=C(C=Cc1cccc(c1)I)NCCC2CC2 240690a_100000764129_100020647043 [0,1,0,1,0,0|1,0,0]=3 6936 B18R2.523537 O=C(C=Cc1cccc(c1)I)NNCC2CC2 22a_100000736359_100020647043 [0,1,0,1,0,0|2,0,0]=4 6937 B18R2.523537 O=C(C=Cc1cccc(c1)O)NNCC2CC2 22a_100000736359_100102525460 [0,1,0,1,0,0|2,0,0]=4 6938 B18R2.29730 C[C@@H]1CCN(C1)S(=O)(=O)C=Cc2ccccc2 40a_100016987628_100011098038 [0,1,0,1,0,0|2,0,0]=4 6939 B18R2.280298 O=S(=O)(C=Cc1ccccc1)NCCC2CC2 40a_100000764129_100011098038 [0,1,0,1,0,0|2,0,0]=4 6940 B18R2.6550 CC(C)C[C@H](N)c1c(ccc2c1cccc2)Br 271570a_100015190218_100010090040 [0,1,0,1,0,0|2,0,0]=4 6941 B18R2.6550 CC(C)C[C@H](N)c1c(ccc2c1cccc2)N 271570a_100015190218_100000705303 [0,1,0,1,0,0|2,0,0]=4 6942 B18R2.6550 CC(C)C[C@H](N)c1c(ccc2c1cccc2)O 271570a_100015190218_100000183829 [0,1,0,1,0,0|1,0,1]=4 6943 B18R2.6550 Cc1ccc2ccccc2c1[C@@H](N)CC(C)C 271570a_100015190218_100000759710 [0,1,0,1,0,0|2,0,0]=4 6944 B18R2.71948 CC(C)CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000731052 [0,1,0,1,0,0|2,0,0]=4 6945 B18R2.71948 CC(C)CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000731052 [0,1,0,1,0,0|2,0,0]=4 6946 B18R2.71948 CC(C)CC(C)Nc1ccc2ccccc2n1 27a_100000692259_100011291633 [0,1,0,1,0,0|2,0,0]=4 6947 B18R2.71948 CC(C)CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000731052 [0,1,0,1,0,0|1,0,0]=3 6948 B18R2.71948 CC(C)CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000731052 [0,1,0,1,0,0|1,0,0]=3 6949 B18R2.71948 CC(C)CC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000731052 [0,1,0,1,0,0|2,0,0]=4 6950 B18R2.71948 CC(C)CC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000731052 [0,1,0,1,0,0|2,0,0]=4 6951 B18R2.71948 CC(C)CC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000731052 [0,1,0,1,0,0|2,0,0]=4 6952 B18R2.71948 CC(C)CC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000731052 [0,1,0,1,0,0|2,0,0]=4 6953 B18R2.71948 CC(C)CC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000731052 [0,1,0,1,0,0|2,0,0]=4 6954 B18R2.71948 CC(C)CC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000731052 [0,1,0,1,0,0|2,0,0]=4 6955 B18R2.71948 CC(C)CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000731052 [0,1,0,1,0,0|2,0,0]=4 6956 B18R2.71948 CC(C)CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000731052 [0,1,0,1,0,0|2,0,0]=4 6957 B18R2.71948 CC(C)CC(C)Sc1ccc2ccccc2c1 62a_100000731052_100000233703 [0,1,0,1,0,0|1,1,0]=4 6958 B18R2.71948 CC(C)CC(C)Sc1ccc2ccccc2n1 62a_100000731052_100011291633 [0,1,0,1,0,0|1,1,0]=4 6959 B18R2.71948 CC(C)CC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000731052 [0,1,0,1,0,0|1,1,0]=4 6960 B18R2.128578 C[C@@]1(C[C@H](C1)NC(=O)C=Cc2ccccc2)O 11a_100121572536_100000210462 [0,1,0,1,0,0|1,0,0]=3 6961 B18R2.128578 C[C@@]1(C[C@H](C1)NC(=O)C=Cc2ccccc2)O 1626a_100121572536_100000210462 [0,1,0,1,0,0|1,0,0]=3 6962 B18R2.128578 C[C@@]1(C[C@H](C1)NC(=O)C=Cc2ccccn2)O 11a_100121572536_100000740811 [0,1,0,1,0,0|2,0,0]=4 6963 B18R2.128578 C[C@@]1(C[C@H](C1)NC(=O)C=Cc2ccccn2)O 240690a_100121572536_100000740811 [0,1,0,1,0,0|2,0,0]=4 6964 B18R2.128578 C[C@@]1(C[C@H](C1)NC(=O)C=Cc2cccnc2)O 11a_100121572536_100000735890 [0,1,0,1,0,0|2,0,0]=4 6965 B18R2.128578 C[C@@]1(C[C@H](C1)NC(=O)C=Cc2cccnc2)O 240690a_100121572536_100000735890 [0,1,0,1,0,0|2,0,0]=4 6966 B18R2.128578 C[C@@]1(C[C@H](C1)NC(=O)C=Cc2ccncc2)O 240690a_100121572536_100000682801 [0,1,0,1,0,0|2,0,0]=4 6967 B18R2.128578 O=C(C=Cc1ccccc1)CC2CC(C2)(F)F 1458a_100000210462_100009886855 [0,1,0,1,0,0|2,0,0]=4 6968 B18R2.128578 O=C(C=Cc1ccccc1)NC2CC(C2)(F)F 11a_100000756238_100000210462 [0,1,0,1,0,0|2,0,0]=4 6969 B18R2.128578 O=C(C=Cc1ccccc1)NC2CC(C2)(F)F 1626a_100000756238_100000210462 [0,1,0,1,0,0|2,0,0]=4 6970 B18R2.3787 C[C@@H]1CN(C[C@@H]1O)C(=O)C=Cc2ccccc2 11a_200015306588_100000210462 [0,1,0,1,0,0|1,0,0]=3 6971 B18R2.3787 C[C@@H]1CN(C[C@@H]1O)C(=O)C=Cc2ccccn2 11a_200015306588_100000740811 [0,1,0,1,0,0|2,0,0]=4 6972 B18R2.3787 C[C@@H]1CN(C[C@@H]1O)C(=O)C=Cc2ccccn2 240690a_200015306588_100000740811 [0,1,0,1,0,0|2,0,0]=4 6973 B18R2.3787 C[C@@H]1CN(C[C@@H]1O)C(=O)C=Cc2cccnc2 11a_200015306588_100000735890 [0,1,0,1,0,0|2,0,0]=4 6974 B18R2.3787 C[C@@H]1CN(C[C@@H]1O)C(=O)C=Cc2cccnc2 240690a_200015306588_100000735890 [0,1,0,1,0,0|2,0,0]=4 6975 B18R2.3787 C[C@@H]1CN(C[C@@H]1O)C(=O)C=Cc2ccncc2 240690a_200015306588_100000682801 [0,1,0,1,0,0|2,0,0]=4 6976 B18R2.3787 O=C(C=Cc1ccccc1)N2C[C@@H]([C@H](C2)F)O 11a_100020590056_100000210462 [0,1,0,1,0,0|2,0,0]=4 6977 B18R2.3787 O=C(C=Cc1ccccc1)N2C[C@H]([C@H](C2)F)F 11a_100103146936_100000210462 [0,1,0,1,0,0|2,0,0]=4 6978 B18R2.3787 O=C(C=Cc1ccccc1)N2C[C@H]([C@H](C2)F)F 1626a_100103146936_100000210462 [0,1,0,1,0,0|2,0,0]=4 6979 B18R2.3787 O=C(C=Cc1ccccc1)N2C[C@H]([C@H](C2)O)O 11a_100015207562_100000210462 [0,1,0,1,0,0|2,0,0]=4 6980 B18R2.12980 CC(C)C(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210206 [0,1,0,1,0,0|1,0,1]=4 6981 B18R2.12980 CC(C)C(=O)COc1ccc2ccccc2c1 34a_100000185828_100000753385 [0,1,0,1,0,0|1,0,1]=4 6982 B18R2.12980 CC(C)C(=O)COc1ccc2ccccc2c1 7a_100000185828_100000753385 [0,1,0,1,0,0|1,0,1]=4 6983 B18R2.12980 CC(C)C(O)CNc1ccc2ccccc2n1 27a_100000759067_100011291633 [0,1,0,1,0,0|2,0,0]=4 6984 B18R2.128614 O=C(C=Cc1ccccc1)NCC(O)C2CC2 11a_100000751198_100000210462 [0,1,0,1,0,0|1,0,0]=3 6985 B18R2.128614 O=C(C=Cc1ccccn1)NCC(O)C2CC2 11a_100000751198_100000740811 [0,1,0,1,0,0|2,0,0]=4 6986 B18R2.128614 O=C(C=Cc1ccccn1)NCC(O)C2CC2 240690a_100000751198_100000740811 [0,1,0,1,0,0|2,0,0]=4 6987 B18R2.128614 O=C(C=Cc1cccnc1)NCC(O)C2CC2 11a_100000751198_100000735890 [0,1,0,1,0,0|2,0,0]=4 6988 B18R2.128614 O=C(C=Cc1cccnc1)NCC(O)C2CC2 240690a_100000751198_100000735890 [0,1,0,1,0,0|2,0,0]=4 6989 B18R2.128614 O=C(C=Cc1ccncc1)NCC(O)C2CC2 240690a_100000751198_100000682801 [0,1,0,1,0,0|2,0,0]=4 6990 B18R2.14560 CC(C)(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000755188 [0,1,0,1,0,0|2,0,0]=4 6991 B18R2.14560 CC(C)(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000755188 [0,1,0,1,0,0|2,0,0]=4 6992 B18R2.14560 CC(C)(C)CCNc1ccc2ccccc2n1 27a_100000738805_100011291633 [0,1,0,1,0,0|2,0,0]=4 6993 B18R2.14560 CC(C)(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000755188 [0,1,0,1,0,0|1,0,0]=3 6994 B18R2.14560 CC(C)(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000755188 [0,1,0,1,0,0|1,0,0]=3 6995 B18R2.14560 CC(C)(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000755188 [0,1,0,1,0,0|2,0,0]=4 6996 B18R2.14560 CC(C)(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000755188 [0,1,0,1,0,0|2,0,0]=4 6997 B18R2.14560 CC(C)(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000755188 [0,1,0,1,0,0|2,0,0]=4 6998 B18R2.14560 CC(C)(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000755188 [0,1,0,1,0,0|2,0,0]=4 6999 B18R2.14560 CC(C)(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000755188 [0,1,0,1,0,0|2,0,0]=4 7000 B18R2.14560 CC(C)(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000755188 [0,1,0,1,0,0|2,0,0]=4 7001 B18R2.14560 CC(C)(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000755188 [0,1,0,1,0,0|2,0,0]=4 7002 B18R2.14560 CC(C)(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000755188 [0,1,0,1,0,0|2,0,0]=4 7003 B18R2.14560 CC(C)(C)CCSc1ccc2ccccc2c1 62a_100000755188_100000233703 [0,1,0,1,0,0|1,1,0]=4 7004 B18R2.14560 CC(C)(C)CCSc1ccc2ccccc2n1 62a_100000755188_100011291633 [0,1,0,1,0,0|1,1,0]=4 7005 B18R2.14560 CC(C)(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000755188 [0,1,0,1,0,0|1,1,0]=4 7006 B18R2.14560 CC(C)(F)CCNc1ccc2ccccc2n1 27a_100016253952_100011291633 [0,1,0,1,0,0|2,0,0]=4 7007 B18R2.14560 CC(C)(O)CCNc1ccc2ccccc2c1 34a_100000211940_100000702414 [0,1,0,1,0,0|2,0,0]=4 7008 B18R2.14560 CC(C)(O)CCNc1ccc2ccccc2c1 7a_100000211940_100000702414 [0,1,0,1,0,0|2,0,0]=4 7009 B18R2.14560 CC(C)(O)CCNc1ccc2ccccc2n1 27a_100000707701_100011291633 [0,1,0,1,0,0|2,0,0]=4 7010 B18R2.14560 CC(C)(O)CCOc1ccc2ccccc2c1 34a_100000185828_100000702414 [0,1,0,1,0,0|1,0,0]=3 7011 B18R2.14560 CC(C)(O)CCOc1ccc2ccccc2c1 7a_100000185828_100000702414 [0,1,0,1,0,0|1,0,0]=3 7012 B18R2.14560 CC(C)(O)CCOc1ccc2cccnc2c1 34a_100011216045_100000702414 [0,1,0,1,0,0|2,0,0]=4 7013 B18R2.14560 CC(C)(O)CCOc1ccc2ccncc2c1 7a_100000752006_100000702414 [0,1,0,1,0,0|2,0,0]=4 7014 B18R2.14560 CC(C)(O)CCOc1ccc2cnccc2c1 34a_100000046372_100000702414 [0,1,0,1,0,0|2,0,0]=4 7015 B18R2.14560 CC(C)(O)CCOc1ccc2cnccc2c1 7a_100000046372_100000702414 [0,1,0,1,0,0|2,0,0]=4 7016 B18R2.14560 CC(C)(O)CCOc1ccc2ncccc2c1 34a_100011215586_100000702414 [0,1,0,1,0,0|2,0,0]=4 7017 B18R2.14560 CC(C)(O)CCOc1ccc2ncccc2c1 7a_100011215586_100000702414 [0,1,0,1,0,0|2,0,0]=4 7018 B18R2.14560 CC(C)(O)CCOc1cnc2ccccc2c1 34a_100011934006_100000702414 [0,1,0,1,0,0|2,0,0]=4 7019 B18R2.14560 CC(C)(O)CCOc1cnc2ccccc2c1 7a_100011934006_100000702414 [0,1,0,1,0,0|2,0,0]=4 7020 B18R2.14560 CC(C)(O)CCSc1ccc2ccccc2c1 62a_100000702414_100000233703 [0,1,0,1,0,0|1,1,0]=4 7021 B18R2.14560 CC(C)(O)CCSc1ccc2ccccc2n1 62a_100000702414_100011291633 [0,1,0,1,0,0|1,1,0]=4 7022 B18R2.14560 CC(C)(O)CCSc1ccc2ccccc2n1 62a_100011291633_100000702414 [0,1,0,1,0,0|1,1,0]=4 7023 B18R2.14560 C[N+](C)(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000085578 [0,1,0,1,0,0|2,0,0]=4 7024 B18R2.14560 C[N+](C)(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000085578 [0,1,0,1,0,0|2,0,0]=4 7025 B18R2.14560 C[Si](C)(C)CCOc1ccc2ccccc2c1 34a_100000185828_200000733723 [0,1,0,1,0,0|1,1,0]=4 7026 B18R2.14560 C[Si](C)(C)CCOc1ccc2ccccc2c1 7a_100000185828_200000733723 [0,1,0,1,0,0|1,1,0]=4 7027 B18R3.2942 C[C@@H]1CCN(C1)c2ccc3ccccc3n2 27a_100016987628_100011291633 [0,0,0,2,0,0|2,0,0]=4 7028 B18R3.183301 O=C(C=Cc1ccccc1)N2CC3CC3C2 11a_100000741873_100000210462 [0,0,0,2,0,0|1,0,0]=3 7029 B18R3.183301 O=C(C=Cc1ccccc1)N2CC3CC3C2 1626a_100000741873_100000210462 [0,0,0,2,0,0|1,0,0]=3 7030 B18R3.183301 O=C(C=Cc1ccccn1)N2CC3CC3C2 11a_100000741873_100000740811 [0,0,0,2,0,0|2,0,0]=4 7031 B18R3.183301 O=C(C=Cc1ccccn1)N2CC3CC3C2 240690a_100000741873_100000740811 [0,0,0,2,0,0|2,0,0]=4 7032 B18R3.183301 O=C(C=Cc1cccnc1)N2CC3CC3C2 11a_100000741873_100000735890 [0,0,0,2,0,0|2,0,0]=4 7033 B18R3.183301 O=C(C=Cc1cccnc1)N2CC3CC3C2 240690a_100000741873_100000735890 [0,0,0,2,0,0|2,0,0]=4 7034 B18R3.183301 O=C(C=Cc1ccncc1)N2CC3CC3C2 240690a_100000741873_100000682801 [0,0,0,2,0,0|2,0,0]=4 7035 B18R3.6215709 O=C(C=Cc1ccccc1)NC23CC(C2)C3 11a_100016993715_100000210462 [0,0,0,2,0,0|1,0,0]=3 7036 B18R3.6215709 O=C(C=Cc1ccccc1)NC23CC(C2)C3 1626a_100016993715_100000210462 [0,0,0,2,0,0|1,0,0]=3 7037 B18R3.6215709 O=C(C=Cc1ccccn1)NC23CC(C2)C3 11a_100016993715_100000740811 [0,0,0,2,0,0|2,0,0]=4 7038 B18R3.6215709 O=C(C=Cc1ccccn1)NC23CC(C2)C3 240690a_100016993715_100000740811 [0,0,0,2,0,0|2,0,0]=4 7039 B18R3.6215709 O=C(C=Cc1cccnc1)NC23CC(C2)C3 11a_100016993715_100000735890 [0,0,0,2,0,0|2,0,0]=4 7040 B18R3.6215709 O=C(C=Cc1cccnc1)NC23CC(C2)C3 240690a_100016993715_100000735890 [0,0,0,2,0,0|2,0,0]=4 7041 B18R3.6215709 O=C(C=Cc1ccncc1)NC23CC(C2)C3 240690a_100016993715_100000682801 [0,0,0,2,0,0|2,0,0]=4 7042 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CC3 34a_100000046372_100000694398 [0,0,0,2,0,0|2,0,0]=4 7043 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CC3 7a_100000046372_100000764125 [0,0,0,2,0,0|2,0,0]=4 7044 B18R3.228675 c1cc2ccc(cc2cn1)OCCC3CC3 7a_100000752006_100000764125 [0,0,0,2,0,0|2,0,0]=4 7045 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CC3 34a_100000211940_100000694398 [0,0,0,2,0,0|2,0,0]=4 7046 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CC3 7a_100000211940_100000764125 [0,0,0,2,0,0|2,0,0]=4 7047 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CC3 34a_100000185828_100000694398 [0,0,0,2,0,0|1,0,0]=3 7048 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CC3 7a_100000185828_100000764125 [0,0,0,2,0,0|1,0,0]=3 7049 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CO3 34a_100000185828_100000732470 [0,0,0,2,0,0|2,0,0]=4 7050 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CO3 7a_100000185828_100000732470 [0,0,0,2,0,0|2,0,0]=4 7051 B18R3.228675 c1ccc2cc(ccc2c1)SCCC3CC3 62a_100000764125_100000233703 [0,0,0,2,0,0|1,1,0]=4 7052 B18R3.228675 c1ccc2nc(ccc2c1)NCCC3CC3 27a_100000764129_100011291633 [0,0,0,2,0,0|2,0,0]=4 7053 B18R3.228675 c1ccc2nc(ccc2c1)SCCC3CC3 62a_100000764125_100011291633 [0,0,0,2,0,0|1,1,0]=4 7054 B18R3.228675 c1ccc2nc(ccc2c1)SCCC3CC3 62a_100011291633_100000764125 [0,0,0,2,0,0|1,1,0]=4 7055 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CC3 34a_100011934006_100000694398 [0,0,0,2,0,0|2,0,0]=4 7056 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CC3 7a_100011934006_100000764125 [0,0,0,2,0,0|2,0,0]=4 7057 B18R3.228675 c1cnc2cc(ccc2c1)OCCC3CC3 34a_100011216045_100000694398 [0,0,0,2,0,0|2,0,0]=4 7058 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CC3 34a_100011215586_100000694398 [0,0,0,2,0,0|2,0,0]=4 7059 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CC3 7a_100011215586_100000764125 [0,0,0,2,0,0|2,0,0]=4 7060 B14R1.86 CCCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210326 [1,0,0,0,1,0|2,0,0]=4 7061 B14R1.86 CCCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210326 [1,0,0,0,1,0|2,0,0]=4 7062 B14R1.86 CCCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210326 [1,0,0,0,1,0|2,0,0]=4 7063 B14R1.86 CCCCNC(=O)C=Cc1cccs1 11a_100000102301_100000182767 [1,0,0,0,1,0|2,0,0]=4 7064 B14R1.86 CCCCNC(=O)C=Cc1cccs1 1626a_100000102301_100000182767 [1,0,0,0,1,0|2,0,0]=4 7065 B14R1.86 CCCCNC(=O)C=Cc1cccs1 240690a_100000102301_100000182767 [1,0,0,0,1,0|2,0,0]=4 7066 B14R1.86 CCCCNC(=O)C=Cc1ccoc1 11a_100000102301_100000238621 [1,0,0,0,1,0|2,0,0]=4 7067 B14R1.86 CCCCNC(=O)C=Cc1ccoc1 1626a_100000102301_100000238621 [1,0,0,0,1,0|2,0,0]=4 7068 B14R1.86 CCCCNC(=O)C=Cc1ccoc1 240690a_100000102301_100000238621 [1,0,0,0,1,0|2,0,0]=4 7069 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 11a_100000102301_100000698588 [1,0,0,0,1,0|2,0,0]=4 7070 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 1626a_100000102301_100000698588 [1,0,0,0,1,0|2,0,0]=4 7071 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 240690a_100000102301_100000698588 [1,0,0,0,1,0|2,0,0]=4 7072 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 527a_100000102301_100000698588 [1,0,0,0,1,0|2,0,0]=4 7073 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [1,0,0,0,1,0|1,0,1]=4 7074 B14R1.158 CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000212188 [1,0,0,0,1,0|2,0,0]=4 7075 B14R1.158 CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000212188 [1,0,0,0,1,0|2,0,0]=4 7076 B14R1.158 CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000212188 [1,0,0,0,1,0|2,0,0]=4 7077 B14R1.158 CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000212188 [1,0,0,0,1,0|2,0,0]=4 7078 B14R1.158 CCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000102301 [1,0,0,0,1,0|2,0,0]=4 7079 B14R1.422 CC(Br)COC/C=C/c1ccccc1 34a_100012180447_100016265936 [1,0,0,0,1,0|1,0,1]=4 7080 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210254_100000765856 [1,0,0,0,1,0|0,0,2]=4 7081 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210268_100000210312 [1,0,0,0,1,0|0,0,2]=4 7082 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210254_100000765856 [1,0,0,0,1,0|0,0,2]=4 7083 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210268_100000210626 [1,0,0,0,1,0|0,0,2]=4 7084 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100000210953_100016265936 [1,0,0,0,1,0|1,0,1]=4 7085 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000210760 [1,0,0,0,1,0|1,0,1]=4 7086 B14R1.422 CC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000210432 [1,0,0,0,1,0|1,0,1]=4 7087 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100000210953_100016265936 [1,0,0,0,1,0|1,0,1]=4 7088 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000210624 [1,0,0,0,1,0|1,0,1]=4 7089 B14R1.422 CC(C)CNCC=Cc1ccccc1 270004a_100000210953_100000210105 [1,0,0,0,1,0|1,0,1]=4 7090 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210256_100000210624 [1,0,0,0,1,0|0,0,1]=3 7091 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210257_100016265936 [1,0,0,0,1,0|0,0,1]=3 7092 B14R1.422 CC(C)COC/C=C/c1cccnc1 34a_200102594124_100000210624 [1,0,0,0,1,0|1,0,1]=4 7093 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100000210624_100016265936 [1,0,0,0,1,0|0,1,1]=4 7094 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100016265936_100000210760 [1,0,0,0,1,0|0,1,1]=4 7095 B14R1.422 CC(C)NN=CC=Cc1ccccc1 4a_100000741168_100000210105 [1,0,0,0,1,0|2,0,0]=4 7096 B14R1.422 CC(F)COC/C=C/c1ccccc1 34a_100015925927_100016265936 [1,0,0,0,1,0|1,0,1]=4 7097 B14R1.422 CC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218427 [1,0,0,0,1,0|1,0,1]=4 7098 B14R1.422 C[C@@H](Cl)COC/C=C/c1ccccc1 34a_100016084084_100016265936 [1,0,0,0,1,0|1,0,1]=4 7099 B14R1.422 C[C@@H](N)COC/C=C/c1ccccc1 34a_100000737577_100016265936 [1,0,0,0,1,0|1,0,1]=4 7100 B14R1.422 C[C@@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009817552 [1,0,0,0,1,0|1,0,1]=4 7101 B14R1.4526 CC(C)CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210312 [0,0,0,0,2,0|2,0,0]=4 7102 B14R1.4526 CC(C)CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210312 [0,0,0,0,2,0|1,0,0]=3 7103 B14R1.4526 CC(C)CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210312 [0,0,0,0,2,0|1,0,0]=3 7104 B14R1.4526 CC(C)CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210312 [0,0,0,0,2,0|1,0,0]=3 7105 B14R1.4526 CC(C)CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210312 [0,0,0,0,2,0|2,0,0]=4 7106 B14R1.4526 CC(C)CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210312 [0,0,0,0,2,0|2,0,0]=4 7107 B14R1.4526 CC(C)CCC(=O)C=Cc1nccs1 6a_100000750902_100000210476 [0,0,0,0,2,0|2,0,0]=4 7108 B14R1.4526 CC(C)CNC(=O)C=Cc1cccs1 11a_100000210953_100000182767 [0,0,0,0,2,0|2,0,0]=4 7109 B14R1.4526 CC(C)CNC(=O)C=Cc1cccs1 1626a_100000210953_100000182767 [0,0,0,0,2,0|2,0,0]=4 7110 B14R1.4526 CC(C)CNC(=O)C=Cc1cccs1 240690a_100000210953_100000182767 [0,0,0,0,2,0|2,0,0]=4 7111 B14R1.4526 CC(C)CNC(=O)C=Cc1ccoc1 11a_100000210953_100000238621 [0,0,0,0,2,0|2,0,0]=4 7112 B14R1.4526 CC(C)CNC(=O)C=Cc1ccoc1 1626a_100000210953_100000238621 [0,0,0,0,2,0|2,0,0]=4 7113 B14R1.4526 CC(C)CNC(=O)C=Cc1ccoc1 240690a_100000210953_100000238621 [0,0,0,0,2,0|2,0,0]=4 7114 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 11a_100000210953_100000698588 [0,0,0,0,2,0|2,0,0]=4 7115 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 1626a_100000210953_100000698588 [0,0,0,0,2,0|2,0,0]=4 7116 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 240690a_100000210953_100000698588 [0,0,0,0,2,0|2,0,0]=4 7117 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 527a_100000210953_100000698588 [0,0,0,0,2,0|2,0,0]=4 7118 B14R1.4526 CC(O)CCC(=O)C=Cc1cccs1 1458a_100000182767_100012276601 [0,0,0,0,2,0|2,0,0]=4 7119 B14R1.4526 CC(O)CCC(=O)C=Cc1ccoc1 1458a_100000238621_100012276601 [0,0,0,0,2,0|2,0,0]=4 7120 B14R1.4526 CC(O)CCC(=O)C=Cc1ccsc1 1458a_100000698588_100012276601 [0,0,0,0,2,0|2,0,0]=4 7121 B14R1.420 CC(=O)CCOC(=O)c1ccccc1 1458a_100000070787_100000184176 [0,0,0,0,2,0|1,0,1]=4 7122 B14R1.420 CC(C)CCCC(=O)c1ccccc1 1458a_100000185807_100011214892 [0,0,0,0,2,0|1,0,0]=3 7123 B14R1.420 CC(C)CCNC(=O)c1ccccc1 11a_100000210545_100000185807 [0,0,0,0,2,0|1,0,0]=3 7124 B14R1.420 CC(C)CCNC(=O)c1ccccc1 1626a_100000210545_100000185807 [0,0,0,0,2,0|1,0,0]=3 7125 B14R1.420 CC(C)CCNC(=O)c1ccccc1 240690a_100000210545_100000185807 [0,0,0,0,2,0|1,0,0]=3 7126 B14R1.420 CC(C)CCNC(=O)c1ccccc1 527a_100000210545_100000185807 [0,0,0,0,2,0|1,0,0]=3 7127 B14R1.420 CC(C)CCOC(C)c1ccccc1 34a_100000210254_100000211855 [0,0,0,0,2,0|1,0,1]=4 7128 B14R1.420 CC(C)CCOC(C)c1ccccc1 7a_100000210254_100000230085 [0,0,0,0,2,0|1,0,1]=4 7129 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000210312 [0,0,0,0,2,0|1,0,1]=4 7130 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000210626 [0,0,0,0,2,0|1,0,1]=4 7131 B14R1.420 CC(C)CNNC(=O)c1ccccc1 22a_100000696102_100000185807 [0,0,0,0,2,0|2,0,0]=4 7132 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000210624_100000211460 [0,0,0,0,2,0|2,0,0]=4 7133 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000211460_100000210760 [0,0,0,0,2,0|2,0,0]=4 7134 B14R1.420 CC(C)NCCC(=O)c1ccccc1 2230a_100138425928_100000750707 [0,0,0,0,2,0|2,0,0]=4 7135 B14R1.420 CC(C)OCCC(=O)c1ccccc1 1458a_100000185807_100000211751 [0,0,0,0,2,0|2,0,0]=4 7136 B14R1.420 CC(C)SCCC(=O)c1ccccc1 1458a_100000185807_100000730970 [0,0,0,0,2,0|2,0,0]=4 7137 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000210206_100000750707 [0,0,0,0,2,0|2,0,0]=4 7138 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000210206 [0,0,0,0,2,0|2,0,0]=4 7139 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000210206 [0,0,0,0,2,0|1,0,0]=3 7140 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000210206_100000073877 [0,0,0,0,2,0|1,0,0]=3 7141 B14R1.420 CC(O)CCCC(=O)c1ccccc1 1458a_100000185807_200000718107 [0,0,0,0,2,0|2,0,0]=4 7142 B14R1.420 CC(O)CCNC(=O)c1ccccc1 240690a_200000755665_100000185807 [0,0,0,0,2,0|2,0,0]=4 7143 B14R1.420 CC(O)CCNC(=O)c1ccccc1 527a_200000755665_100000185807 [0,0,0,0,2,0|2,0,0]=4 7144 B14R1.420 CN(C)CCCC(=O)c1ccccc1 1458a_100000185807_100000695564 [0,0,0,0,2,0|2,0,0]=4 7145 B14R1.420 CN(C)CCCC(=O)c1ccccc1 2230a_100102631434_100000211006 [0,0,0,0,2,0|2,0,0]=4 7146 B14R1.420 CN(C)CCCC(=O)c1ccccc1 269982a_100102631434_100000211006 [0,0,0,0,2,0|2,0,0]=4 7147 B14R1.420 CN(C)CCNC(=O)c1ccccc1 240690a_100000210585_100000185807 [0,0,0,0,2,0|2,0,0]=4 7148 B14R1.420 CN(C)CCNC(=O)c1ccccc1 269982a_100102631434_200011215302 [0,0,0,0,2,0|2,0,0]=4 7149 B14R1.420 CN(C)CCNC(=O)c1ccccc1 527a_100000210585_100000185807 [0,0,0,0,2,0|2,0,0]=4 7150 B14R1.420 CN(C)CCOC(=O)c1ccccc1 269982a_100102631434_100009812718 [0,0,0,0,2,0|1,0,0]=3 7151 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 34a_200025717232_100000210206 [0,0,0,0,2,0|2,0,0]=4 7152 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 7a_200025717232_100000210206 [0,0,0,0,2,0|2,0,0]=4 7153 B14R1.423 CC(C)CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210312 [0,0,0,0,2,0|1,0,1]=4 7154 B14R1.423 CC(C)CCC(=O)Cc1ccccc1 1458a_100000181311_100015291786 [0,0,0,0,2,0|0,0,1]=3 7155 B14R1.423 CC(C)CCC(=O)Cc1ccccn1 1458a_100000181311_100000721315 [0,0,0,0,2,0|1,0,1]=4 7156 B14R1.423 CC(C)CCC(=O)Cc1ccccn1 1458a_100000233486_100000210312 [0,0,0,0,2,0|1,0,1]=4 7157 B14R1.423 CC(C)CCC(=O)Cc1cccnc1 1458a_100000181311_100000733263 [0,0,0,0,2,0|1,0,1]=4 7158 B14R1.423 CC(C)CCC(=O)Cc1cccnc1 1458a_100000737805_100000210312 [0,0,0,0,2,0|1,0,1]=4 7159 B14R1.423 CC(C)CCC(=O)Cc1ccncc1 1458a_100000181311_100000705612 [0,0,0,0,2,0|1,0,1]=4 7160 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000181311 [0,0,0,0,2,0|1,0,0]=3 7161 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000181311 [0,0,0,0,2,0|1,0,0]=3 7162 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000181311 [0,0,0,0,2,0|1,0,0]=3 7163 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000181311 [0,0,0,0,2,0|1,0,0]=3 7164 B14R1.423 CC(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210953 [0,0,0,0,2,0|2,0,0]=4 7165 B14R1.423 CC(C)NCC(=O)Cc1ccccc1 2230a_100138425928_100000233483 [0,0,0,0,2,0|1,0,1]=4 7166 B14R1.423 CC(C)NCC(=O)Nc1ccccc1 2230a_100138425928_100000182850 [0,0,0,0,2,0|2,0,0]=4 7167 B14R1.423 CC(C)NCC(=O)Nc1ccccc1 34a_100138425928_100000182850 [0,0,0,0,2,0|2,0,0]=4 7168 B14R1.423 CC(C)NCC(=O)Oc1ccccc1 2230a_100138425928_100009813826 [0,0,0,0,2,0|2,0,0]=4 7169 B14R1.423 CC(C)NCC(=O)Oc1ccccc1 34a_100138425928_100009813826 [0,0,0,0,2,0|2,0,0]=4 7170 B14R1.423 CC(C)OCC(=O)Cc1ccccc1 1458a_100000745533_100015291786 [0,0,0,0,2,0|1,0,1]=4 7171 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 11a_100000106764_100000745533 [0,0,0,0,2,0|2,0,0]=4 7172 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 1626a_100000106764_100000745533 [0,0,0,0,2,0|2,0,0]=4 7173 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 22a_100000106764_100000745533 [0,0,0,0,2,0|2,0,0]=4 7174 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 34a_100000212225_100000182850 [0,0,0,0,2,0|2,0,0]=4 7175 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 34a_100000246334_100000210206 [0,0,0,0,2,0|2,0,0]=4 7176 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 527a_100000106764_100000745533 [0,0,0,0,2,0|2,0,0]=4 7177 B14R1.423 CC(C)OCC(=O)Oc1ccccc1 34a_100000212225_100009813826 [0,0,0,0,2,0|2,0,0]=4 7178 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 1458a_100000241585_100015291786 [0,0,0,0,2,0|1,0,1]=4 7179 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 62a_100000210206_100000233483 [0,0,0,0,2,0|1,0,1]=4 7180 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 62a_100000233483_100000210206 [0,0,0,0,2,0|1,0,1]=4 7181 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 11a_100000106764_100000241585 [0,0,0,0,2,0|2,0,0]=4 7182 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 1626a_100000106764_100000241585 [0,0,0,0,2,0|2,0,0]=4 7183 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 22a_100000106764_100000241585 [0,0,0,0,2,0|2,0,0]=4 7184 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 527a_100000106764_100000241585 [0,0,0,0,2,0|2,0,0]=4 7185 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 62a_100000210206_100000182850 [0,0,0,0,2,0|2,0,0]=4 7186 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 62a_100012148978_100000210206 [0,0,0,0,2,0|2,0,0]=4 7187 B14R1.423 CC(C)SCC(=O)Oc1ccccc1 62a_100000210206_100009813826 [0,0,0,0,2,0|2,0,0]=4 7188 B14R1.423 CC(C)SCC(=O)Oc1ccccc1 62a_100009813826_100000210206 [0,0,0,0,2,0|2,0,0]=4 7189 B14R1.423 CC(O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000718519 [0,0,0,0,2,0|2,0,0]=4 7190 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000689311 [0,0,0,0,2,0|2,0,0]=4 7191 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 2230a_100102631434_100000242058 [0,0,0,0,2,0|2,0,0]=4 7192 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000689311 [0,0,0,0,2,0|2,0,0]=4 7193 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 269982a_100102631434_100000242058 [0,0,0,0,2,0|2,0,0]=4 7194 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000689311 [0,0,0,0,2,0|2,0,0]=4 7195 B14R1.423 CN(C)CCC(=O)Oc1ccccc1 2230a_100102631434_200000035796 [0,0,0,0,2,0|2,0,0]=4 7196 B14R1.423 CN(C)CCC(=O)Oc1ccccc1 269982a_100102631434_200000035796 [0,0,0,0,2,0|2,0,0]=4 7197 B14R1.423 C[S+](C)CCC(=O)Cc1ccccc1 1458a_100009452791_100015291786 [0,0,0,0,2,0|1,0,1]=4 7198 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 11a_100000106764_100009452791 [0,0,0,0,2,0|2,0,0]=4 7199 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 1626a_100000106764_100009452791 [0,0,0,0,2,0|2,0,0]=4 7200 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 22a_100000106764_100009452791 [0,0,0,0,2,0|2,0,0]=4 7201 B14R1.818 C=C(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748629 [0,0,0,0,2,0|0,0,2]=4 7202 B14R1.818 CC(C)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000210624 [0,0,0,0,2,0|0,0,2]=4 7203 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [0,0,0,0,2,0|0,0,0]=2 7204 B14R1.818 CC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000210624 [0,0,0,0,2,0|1,0,0]=3 7205 B14R1.818 CC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000210624 [0,0,0,0,2,0|1,0,0]=3 7206 B14R1.818 CC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000210624 [0,0,0,0,2,0|1,0,0]=3 7207 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000210624 [0,0,0,0,2,0|0,0,2]=4 7208 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000210554_100000765856 [0,0,0,0,2,0|0,0,2]=4 7209 B14R1.818 CC(C)CC(=O)COc1ccccc1 1458a_100000186222_100000210624 [0,0,0,0,2,0|1,0,1]=4 7210 B14R1.818 CC(C)CC(=O)CSc1ccccc1 1458a_100000211596_100000210624 [0,0,0,0,2,0|1,0,1]=4 7211 B14R1.818 CC(C)CC(=O)NCc1ccccc1 11a_100015324214_100000210554 [0,0,0,0,2,0|1,0,1]=4 7212 B14R1.818 CC(C)CC(=O)NCc1ccccc1 1626a_100015324214_100000210554 [0,0,0,0,2,0|1,0,1]=4 7213 B14R1.818 CC(C)CC(=O)NCc1ccccc1 240690a_100015324214_100000210554 [0,0,0,0,2,0|1,0,1]=4 7214 B14R1.818 CC(C)CC(=O)NCc1ccccc1 527a_100015324214_100000210554 [0,0,0,0,2,0|1,0,1]=4 7215 B14R1.818 CC(C)CC(=O)NNc1ccccc1 22a_100015195140_100000210554 [0,0,0,0,2,0|2,0,0]=4 7216 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 11a_100138425928_100000210462 [0,0,0,0,2,0|1,0,0]=3 7217 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 1626a_100138425928_100000210462 [0,0,0,0,2,0|1,0,0]=3 7218 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 11a_100138425928_100000740811 [0,0,0,0,2,0|2,0,0]=4 7219 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 240690a_100138425928_100000740811 [0,0,0,0,2,0|2,0,0]=4 7220 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 11a_100138425928_100000735890 [0,0,0,0,2,0|2,0,0]=4 7221 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 240690a_100138425928_100000735890 [0,0,0,0,2,0|2,0,0]=4 7222 B14R1.818 CC(C)NC(=O)C=Cc1ccncc1 240690a_100138425928_100000682801 [0,0,0,0,2,0|2,0,0]=4 7223 B14R1.818 CC(C)OC(=O)CNc1ccccc1 34a_100000106764_100011215430 [0,0,0,0,2,0|1,0,1]=4 7224 B14R1.818 CC(C)OC(=O)COc1ccccc1 34a_100000210340_100011215430 [0,0,0,0,2,0|1,0,1]=4 7225 B14R1.818 CC(C)OC(=O)COc1ccccc1 7a_100000210340_100011215430 [0,0,0,0,2,0|1,0,1]=4 7226 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100000719477_100011215430 [0,0,0,0,2,0|1,0,1]=4 7227 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100011215430_100000041952 [0,0,0,0,2,0|1,0,1]=4 7228 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [0,0,0,0,2,0|1,0,0]=3 7229 B14R1.818 CC(O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011218427 [0,0,0,0,2,0|2,0,0]=4 7230 B14R1.818 CC(O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011218427 [0,0,0,0,2,0|2,0,0]=4 7231 B14R1.818 CC(O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011218427 [0,0,0,0,2,0|2,0,0]=4 7232 B14R1.818 O=C(C=Cc1ccccc1)CC(F)F 1458a_100000210462_100011934356 [0,0,0,0,2,0|2,0,0]=4 7233 B16R1.1694 CCCC#CC(=O)C/C=C/c1ccccc1 1458a_200011218047_100016265936 [1,0,0,0,0,1|1,0,1]=4 7234 B16R1.1694 CCCC=CC(=O)C/C=C/c1ccccc1 1458a_100000212230_100016265936 [1,0,0,0,0,1|1,0,1]=4 7235 B16R1.1694 CCCCCC(=O)C/C=C/c1ccccc1 1458a_100000212188_100016265936 [1,0,0,0,0,1|1,0,0]=3 7236 B16R1.1694 CCCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210326 [1,0,0,0,0,1|1,0,0]=3 7237 B16R1.1694 CCCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210326 [1,0,0,0,0,1|1,0,0]=3 7238 B16R1.1694 CCCCCC(=O)NN=Cc1ccccc1 4a_100000189784_100015611070 [1,0,0,0,0,1|2,0,0]=4 7239 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 11a_100000102301_100011219626 [1,0,0,0,0,1|1,0,0]=3 7240 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 1626a_100000102301_100011219626 [1,0,0,0,0,1|1,0,0]=3 7241 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 240690a_100000102301_100011219626 [1,0,0,0,0,1|1,0,0]=3 7242 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 11a_100000102301_100016262050 [1,0,0,0,0,1|1,0,0]=3 7243 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 1626a_100000102301_100016262050 [1,0,0,0,0,1|1,0,0]=3 7244 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 240690a_100000102301_100016262050 [1,0,0,0,0,1|1,0,0]=3 7245 B16R1.1694 CCCCOC(=O)CNCc1ccccc1 2230a_100015324214_100000211628 [1,0,0,0,0,1|0,0,2]=4 7246 B16R1.1694 CCCCOC(=O)CNCc1ccccc1 34a_100015324214_100000211628 [1,0,0,0,0,1|0,0,2]=4 7247 B16R1.1694 CCCCOC(=O)COCc1ccccc1 34a_100000210790_100000211628 [1,0,0,0,0,1|0,0,2]=4 7248 B16R1.1694 CCCCOC(=O)COCc1ccccc1 7a_100000210790_100000211628 [1,0,0,0,0,1|0,0,2]=4 7249 B16R1.1694 CCCCOC(=O)CSCc1ccccc1 62a_100000211182_100000211628 [1,0,0,0,0,1|0,0,2]=4 7250 B16R1.1694 CCCCOC(=O)CSCc1ccccc1 62a_100000211628_100015291786 [1,0,0,0,0,1|0,0,2]=4 7251 B16R1.1694 CCCNNC(=O)C/C=C/c1ccccc1 22a_100000740057_100011219626 [1,0,0,0,0,1|2,0,0]=4 7252 B16R1.1694 CCCNNC(=O)C=CSc1ccccc1 22a_100000740057_100016262050 [1,0,0,0,0,1|2,0,0]=4 7253 B16R1.1694 CCCOCC(=O)C/C=C/c1ccccc1 1458a_100000745993_100016265936 [1,0,0,0,0,1|2,0,0]=4 7254 B16R1.1694 CCCSCC(=O)C/C=C/c1ccccc1 1458a_100000217233_100016265936 [1,0,0,0,0,1|2,0,0]=4 7255 B16R1.1694 CCOCCC(=O)C/C=C/c1ccccc1 1458a_100000749530_100016265936 [1,0,0,0,0,1|2,0,0]=4 7256 B16R1.1694 CCOCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215890 [1,0,0,0,0,1|2,0,0]=4 7257 B16R1.1694 CCOCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215890 [1,0,0,0,0,1|2,0,0]=4 7258 B16R1.1694 CCSCCC(=O)C/C=C/c1ccccc1 1458a_100000230768_100016265936 [1,0,0,0,0,1|2,0,0]=4 7259 B16R1.1694 CCSCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000757381 [1,0,0,0,0,1|2,0,0]=4 7260 B16R1.1694 CCSCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000757381 [1,0,0,0,0,1|2,0,0]=4 7261 B16R1.1694 COCCCC(=O)C/C=C/c1ccccc1 1458a_100000741012_100016265936 [1,0,0,0,0,1|2,0,0]=4 7262 B16R1.1694 COCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000740836 [1,0,0,0,0,1|2,0,0]=4 7263 B16R1.1694 COCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000740836 [1,0,0,0,0,1|2,0,0]=4 7264 B16R1.1694 COCCNC(=O)C/C=C/c1ccccc1 1626a_100000209980_100011219626 [1,0,0,0,0,1|2,0,0]=4 7265 B16R1.1694 COCCNC(=O)C/C=C/c1ccccc1 240690a_100000209980_100011219626 [1,0,0,0,0,1|2,0,0]=4 7266 B16R1.1694 COCCNC(=O)C=CSc1ccccc1 1626a_100000209980_100016262050 [1,0,0,0,0,1|2,0,0]=4 7267 B16R1.1694 COCCNC(=O)C=CSc1ccccc1 240690a_100000209980_100016262050 [1,0,0,0,0,1|2,0,0]=4 7268 B16R1.1694 CSCCCC(=O)C/C=C/c1ccccc1 1458a_100000173376_100016265936 [1,0,0,0,0,1|2,0,0]=4 7269 B16R1.1694 CSCCNC(=O)C/C=C/c1ccccc1 11a_100020590264_100011219626 [1,0,0,0,0,1|2,0,0]=4 7270 B16R1.1694 CSCCNC(=O)C/C=C/c1ccccc1 1626a_100020590264_100011219626 [1,0,0,0,0,1|2,0,0]=4 7271 B16R1.1694 CSCCNC(=O)C/C=C/c1ccccc1 240690a_100020590264_100011219626 [1,0,0,0,0,1|2,0,0]=4 7272 B16R1.1694 CSCCNC(=O)C=CSc1ccccc1 11a_100020590264_100016262050 [1,0,0,0,0,1|2,0,0]=4 7273 B16R1.1694 CSCCNC(=O)C=CSc1ccccc1 1626a_100020590264_100016262050 [1,0,0,0,0,1|2,0,0]=4 7274 B16R1.1694 CSCCNC(=O)C=CSc1ccccc1 240690a_100020590264_100016262050 [1,0,0,0,0,1|2,0,0]=4 7275 B16R1.1694 O=C(C/C=C/c1ccccc1)CCCCF 1458a_100011219626_100000729493 [1,0,0,0,0,1|2,0,0]=4 7276 B16R1.1694 O=C(C/C=C/c1ccccc1)CCCCO 1458a_100000695505_100016265936 [1,0,0,0,0,1|2,0,0]=4 7277 B16R1.1694 O=C(C/C=C/c1ccccc1)CCCCO 1458a_100011219626_100000210776 [1,0,0,0,0,1|2,0,0]=4 7278 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCF 11a_100015189416_100011219626 [1,0,0,0,0,1|2,0,0]=4 7279 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCF 1626a_100015189416_100011219626 [1,0,0,0,0,1|2,0,0]=4 7280 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCF 240690a_100015189416_100011219626 [1,0,0,0,0,1|2,0,0]=4 7281 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCO 240690a_100000182051_100011219626 [1,0,0,0,0,1|2,0,0]=4 7282 B16R1.1694 O=C(C=CSc1ccccc1)CCCCF 1458a_100016262050_100000729493 [1,0,0,0,0,1|2,0,0]=4 7283 B16R1.1694 O=C(C=CSc1ccccc1)CCCCO 1458a_100016262050_100000210776 [1,0,0,0,0,1|2,0,0]=4 7284 B16R1.1694 O=C(C=CSc1ccccc1)NCCCF 11a_100015189416_100016262050 [1,0,0,0,0,1|2,0,0]=4 7285 B16R1.1694 O=C(C=CSc1ccccc1)NCCCF 1626a_100015189416_100016262050 [1,0,0,0,0,1|2,0,0]=4 7286 B16R1.1694 O=C(C=CSc1ccccc1)NCCCF 240690a_100015189416_100016262050 [1,0,0,0,0,1|2,0,0]=4 7287 B16R1.1694 O=C(C=CSc1ccccc1)NCCCO 240690a_100000182051_100016262050 [1,0,0,0,0,1|2,0,0]=4 7288 B16R1.596 CC(=CCCOC/C=C/c1ccccc1)C 34a_100000210256_100011217483 [1,0,0,0,0,1|0,0,2]=4 7289 B16R1.596 CC(C)CCCNC/C=C/c1ccccc1 2230a_100020603302_100011214892 [1,0,0,0,0,1|1,0,1]=4 7290 B16R1.596 CC(C)CCCNC/C=C/c1ccccc1 2230a_200000737386_100016265936 [1,0,0,0,0,1|1,0,1]=4 7291 B16R1.596 CC(C)CCCNC/C=C/c1ccccc1 34a_100020603302_100011214892 [1,0,0,0,0,1|1,0,1]=4 7292 B16R1.596 CC(C)CCCNC/C=C/c1ccccc1 34a_200000737386_100016265936 [1,0,0,0,0,1|1,0,1]=4 7293 B16R1.596 CC(C)CCCNCC=Cc1ccccc1 270004a_200000737386_100000210105 [1,0,0,0,0,1|1,0,1]=4 7294 B16R1.596 CC(C)CCCOC/C=C/c1ccccc1 34a_100000210256_100011214892 [1,0,0,0,0,1|0,0,1]=3 7295 B16R1.596 CC(C)CCCOC/C=C/c1ccccc1 34a_100000210774_100016265936 [1,0,0,0,0,1|0,0,1]=3 7296 B16R1.596 CC(C)CCCOC/C=C/c1ccccc1 7a_100000210774_100016265936 [1,0,0,0,0,1|0,0,1]=3 7297 B16R1.596 CC(C)CCCOC/C=C/c1cccnc1 34a_200102594124_100011214892 [1,0,0,0,0,1|1,0,1]=4 7298 B16R1.596 CC(C)CCCSC/C=C/c1ccccc1 62a_100011214892_100016265936 [1,0,0,0,0,1|0,1,1]=4 7299 B16R1.596 CC(C)CCCSC/C=C/c1ccccc1 62a_100016265936_100011214892 [1,0,0,0,0,1|0,1,1]=4 7300 B16R1.596 CC(C)NCCOC/C=C/c1ccccc1 34a_100000224655_100016265936 [1,0,0,0,0,1|0,0,1]=3 7301 B16R1.596 CC(C)OCCNC/C=C/c1ccccc1 2230a_100000701111_100016265936 [1,0,0,0,0,1|1,0,1]=4 7302 B16R1.596 CC(C)OCCNC/C=C/c1ccccc1 2230a_100020603302_100000211751 [1,0,0,0,0,1|1,0,1]=4 7303 B16R1.596 CC(C)OCCNC/C=C/c1ccccc1 34a_100000701111_100016265936 [1,0,0,0,0,1|1,0,1]=4 7304 B16R1.596 CC(C)OCCNC/C=C/c1ccccc1 34a_100020603302_100000211751 [1,0,0,0,0,1|1,0,1]=4 7305 B16R1.596 CC(C)OCCNC/C=C/c1ccccc1 34a_100020603566_100000210206 [1,0,0,0,0,1|1,0,1]=4 7306 B16R1.596 CC(C)OCCNCC=Cc1ccccc1 270004a_100000701111_100000210105 [1,0,0,0,0,1|1,0,1]=4 7307 B16R1.596 CC(C)OCCOC/C=C/c1ccccc1 34a_100000210256_100000211751 [1,0,0,0,0,1|0,0,1]=3 7308 B16R1.596 CC(C)OCCOC/C=C/c1ccccc1 34a_100000211219_100016265936 [1,0,0,0,0,1|0,0,1]=3 7309 B16R1.596 CC(C)OCCOC/C=C/c1ccccc1 7a_100000211219_100016265936 [1,0,0,0,0,1|0,0,1]=3 7310 B16R1.596 CC(C)OCCOC/C=C/c1cccnc1 34a_200102594124_100000211751 [1,0,0,0,0,1|1,0,1]=4 7311 B16R1.596 CC(C)OCCSC/C=C/c1ccccc1 62a_100000211751_100016265936 [1,0,0,0,0,1|0,1,1]=4 7312 B16R1.596 CC(C)OCCSC/C=C/c1ccccc1 62a_100016265936_100000211751 [1,0,0,0,0,1|0,1,1]=4 7313 B16R1.596 CC(C)SCCNC/C=C/c1ccccc1 2230a_100000731138_100016265936 [1,0,0,0,0,1|1,0,1]=4 7314 B16R1.596 CC(C)SCCNC/C=C/c1ccccc1 2230a_100020603302_100000730970 [1,0,0,0,0,1|1,0,1]=4 7315 B16R1.596 CC(C)SCCNC/C=C/c1ccccc1 34a_100000731138_100016265936 [1,0,0,0,0,1|1,0,1]=4 7316 B16R1.596 CC(C)SCCNC/C=C/c1ccccc1 34a_100020603302_100000730970 [1,0,0,0,0,1|1,0,1]=4 7317 B16R1.596 CC(C)SCCNCC=Cc1ccccc1 270004a_100000731138_100000210105 [1,0,0,0,0,1|1,0,1]=4 7318 B16R1.596 CC(C)SCCOC/C=C/c1ccccc1 34a_100000210256_100000730970 [1,0,0,0,0,1|0,0,1]=3 7319 B16R1.596 CC(C)SCCOC/C=C/c1ccccc1 34a_200011212901_100016265936 [1,0,0,0,0,1|0,0,1]=3 7320 B16R1.596 CC(C)SCCOC/C=C/c1ccccc1 7a_200011212901_100016265936 [1,0,0,0,0,1|0,0,1]=3 7321 B16R1.596 CC(C)SCCOC/C=C/c1cccnc1 34a_200102594124_100000730970 [1,0,0,0,0,1|1,0,1]=4 7322 B16R1.596 CC(C)SCCSC/C=C/c1ccccc1 62a_100000730970_100016265936 [1,0,0,0,0,1|0,1,1]=4 7323 B16R1.596 CC(C)SCCSC/C=C/c1ccccc1 62a_100016265936_100000730970 [1,0,0,0,0,1|0,1,1]=4 7324 B16R1.596 CC(O)CCCOC/C=C/c1ccccc1 34a_100000210256_200000718107 [1,0,0,0,0,1|1,0,1]=4 7325 B16R1.1291 CC(C)CCCCC(=O)C=Cc1cccs1 1458a_100000182767_100011216152 [0,0,0,0,1,1|2,0,0]=4 7326 B16R1.1291 CC(C)CCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100011216152 [0,0,0,0,1,1|2,0,0]=4 7327 B16R1.1291 CC(C)CCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100011216152 [0,0,0,0,1,1|2,0,0]=4 7328 B16R1.1291 CC(C)CCCNC(=O)C=Cc1cccs1 11a_200000737386_100000182767 [0,0,0,0,1,1|2,0,0]=4 7329 B16R1.1291 CC(C)CCCNC(=O)C=Cc1cccs1 1626a_200000737386_100000182767 [0,0,0,0,1,1|2,0,0]=4 7330 B16R1.1291 CC(C)CCCNC(=O)C=Cc1cccs1 240690a_200000737386_100000182767 [0,0,0,0,1,1|2,0,0]=4 7331 B16R1.1291 CC(C)CCCNC(=O)C=Cc1ccoc1 11a_200000737386_100000238621 [0,0,0,0,1,1|2,0,0]=4 7332 B16R1.1291 CC(C)CCCNC(=O)C=Cc1ccoc1 1626a_200000737386_100000238621 [0,0,0,0,1,1|2,0,0]=4 7333 B16R1.1291 CC(C)CCCNC(=O)C=Cc1ccoc1 240690a_200000737386_100000238621 [0,0,0,0,1,1|2,0,0]=4 7334 B16R1.1291 CC(C)CCCNC(=O)C=Cc1ccsc1 11a_200000737386_100000698588 [0,0,0,0,1,1|2,0,0]=4 7335 B16R1.1291 CC(C)CCCNC(=O)C=Cc1ccsc1 1626a_200000737386_100000698588 [0,0,0,0,1,1|2,0,0]=4 7336 B16R1.1291 CC(C)CCCNC(=O)C=Cc1ccsc1 240690a_200000737386_100000698588 [0,0,0,0,1,1|2,0,0]=4 7337 B16R1.1291 CC(C)CCCNC(=O)C=Cc1ccsc1 527a_200000737386_100000698588 [0,0,0,0,1,1|2,0,0]=4 7338 B16R1.1291 CC(C)OCCNC(=O)C=Cc1cccs1 11a_100000701111_100000182767 [0,0,0,0,1,1|2,0,0]=4 7339 B16R1.1291 CC(C)OCCNC(=O)C=Cc1cccs1 1626a_100000701111_100000182767 [0,0,0,0,1,1|2,0,0]=4 7340 B16R1.1291 CC(C)OCCNC(=O)C=Cc1cccs1 240690a_100000701111_100000182767 [0,0,0,0,1,1|2,0,0]=4 7341 B16R1.1291 CC(C)OCCNC(=O)C=Cc1ccoc1 11a_100000701111_100000238621 [0,0,0,0,1,1|2,0,0]=4 7342 B16R1.1291 CC(C)OCCNC(=O)C=Cc1ccoc1 1626a_100000701111_100000238621 [0,0,0,0,1,1|2,0,0]=4 7343 B16R1.1291 CC(C)OCCNC(=O)C=Cc1ccoc1 240690a_100000701111_100000238621 [0,0,0,0,1,1|2,0,0]=4 7344 B16R1.1291 CC(C)OCCNC(=O)C=Cc1ccsc1 11a_100000701111_100000698588 [0,0,0,0,1,1|2,0,0]=4 7345 B16R1.1291 CC(C)OCCNC(=O)C=Cc1ccsc1 1626a_100000701111_100000698588 [0,0,0,0,1,1|2,0,0]=4 7346 B16R1.1291 CC(C)OCCNC(=O)C=Cc1ccsc1 240690a_100000701111_100000698588 [0,0,0,0,1,1|2,0,0]=4 7347 B16R1.1291 CC(C)OCCNC(=O)C=Cc1ccsc1 527a_100000701111_100000698588 [0,0,0,0,1,1|2,0,0]=4 7348 B16R1.1291 CC(C)SCCNC(=O)C=Cc1cccs1 11a_100000731138_100000182767 [0,0,0,0,1,1|2,0,0]=4 7349 B16R1.1291 CC(C)SCCNC(=O)C=Cc1cccs1 1626a_100000731138_100000182767 [0,0,0,0,1,1|2,0,0]=4 7350 B16R1.1291 CC(C)SCCNC(=O)C=Cc1cccs1 240690a_100000731138_100000182767 [0,0,0,0,1,1|2,0,0]=4 7351 B16R1.1291 CC(C)SCCNC(=O)C=Cc1ccoc1 11a_100000731138_100000238621 [0,0,0,0,1,1|2,0,0]=4 7352 B16R1.1291 CC(C)SCCNC(=O)C=Cc1ccoc1 1626a_100000731138_100000238621 [0,0,0,0,1,1|2,0,0]=4 7353 B16R1.1291 CC(C)SCCNC(=O)C=Cc1ccoc1 240690a_100000731138_100000238621 [0,0,0,0,1,1|2,0,0]=4 7354 B16R1.1291 CC(C)SCCNC(=O)C=Cc1ccsc1 11a_100000731138_100000698588 [0,0,0,0,1,1|2,0,0]=4 7355 B16R1.1291 CC(C)SCCNC(=O)C=Cc1ccsc1 1626a_100000731138_100000698588 [0,0,0,0,1,1|2,0,0]=4 7356 B16R1.1291 CC(C)SCCNC(=O)C=Cc1ccsc1 240690a_100000731138_100000698588 [0,0,0,0,1,1|2,0,0]=4 7357 B16R1.1291 CC(C)SCCNC(=O)C=Cc1ccsc1 527a_100000731138_100000698588 [0,0,0,0,1,1|2,0,0]=4 7358 B18R1.10618 CC(C)CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210682 [0,0,0,0,0,2|1,0,0]=3 7359 B18R1.10618 CC(C)CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210682 [0,0,0,0,0,2|2,0,0]=4 7360 B18R1.10618 CC(C)CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210682 [0,0,0,0,0,2|2,0,0]=4 7361 B18R1.10618 CC(C)CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210682 [0,0,0,0,0,2|2,0,0]=4 7362 B18R1.10618 CC(C)CCCOCC(=O)CCc1ccccc1 34a_100000210774_100012361361 [0,0,0,0,0,2|0,0,2]=4 7363 B18R1.10618 CC(C)CCCOCC(=O)CCc1ccccc1 7a_100000210774_100012361361 [0,0,0,0,0,2|0,0,2]=4 7364 B18R1.10618 CC(C)CCCOCC(=O)NCc1ccccc1 34a_100000210774_100000183539 [0,0,0,0,0,2|1,0,1]=4 7365 B18R1.10618 CC(C)CCCOCC(=O)NCc1ccccc1 7a_100000210774_100000183539 [0,0,0,0,0,2|1,0,1]=4 7366 B18R1.10618 CC(C)CCCOCC(=O)OCc1ccccc1 34a_100000210774_100000753625 [0,0,0,0,0,2|1,0,1]=4 7367 B18R1.10618 CC(C)CCCOCC(=O)OCc1ccccc1 7a_100000210774_100000753625 [0,0,0,0,0,2|1,0,1]=4 7368 B18R1.10618 CC(C)CCOCCC(=O)OCc1ccccc1 7a_100000210254_100009813219 [0,0,0,0,0,2|1,0,1]=4 7369 B18R1.10618 CC(C)CCOCCC(=O)OCc1ccccc1 7a_100009831632_100000210626 [0,0,0,0,0,2|1,0,1]=4 7370 B18R1.10618 CC(C)NCCOCC(=O)CCc1ccccc1 34a_100000224655_100012361361 [0,0,0,0,0,2|0,0,2]=4 7371 B18R1.10618 CC(C)NCCOCC(=O)NCc1ccccc1 34a_100000224655_100000183539 [0,0,0,0,0,2|1,0,1]=4 7372 B18R1.10618 CC(C)NCCOCC(=O)OCc1ccccc1 34a_100000224655_100000753625 [0,0,0,0,0,2|1,0,1]=4 7373 B18R1.10618 CC(C)OCCCNC(=O)C=Cc1ccccc1 11a_100000737246_100000210462 [0,0,0,0,0,2|1,0,0]=3 7374 B18R1.10618 CC(C)OCCCNC(=O)C=Cc1ccccc1 1626a_100000737246_100000210462 [0,0,0,0,0,2|1,0,0]=3 7375 B18R1.10618 CC(C)OCCCNC(=O)C=Cc1ccccn1 11a_100000737246_100000740811 [0,0,0,0,0,2|2,0,0]=4 7376 B18R1.10618 CC(C)OCCCNC(=O)C=Cc1ccccn1 240690a_100000737246_100000740811 [0,0,0,0,0,2|2,0,0]=4 7377 B18R1.10618 CC(C)OCCCNC(=O)C=Cc1cccnc1 11a_100000737246_100000735890 [0,0,0,0,0,2|2,0,0]=4 7378 B18R1.10618 CC(C)OCCCNC(=O)C=Cc1cccnc1 240690a_100000737246_100000735890 [0,0,0,0,0,2|2,0,0]=4 7379 B18R1.10618 CC(C)OCCCNC(=O)C=Cc1ccncc1 240690a_100000737246_100000682801 [0,0,0,0,0,2|2,0,0]=4 7380 B18R1.10618 CC(C)OCCOCC(=O)CCc1ccccc1 34a_100000211219_100012361361 [0,0,0,0,0,2|0,0,2]=4 7381 B18R1.10618 CC(C)OCCOCC(=O)CCc1ccccc1 7a_100000211219_100012361361 [0,0,0,0,0,2|0,0,2]=4 7382 B18R1.10618 CC(C)OCCOCC(=O)NCc1ccccc1 34a_100000211219_100000183539 [0,0,0,0,0,2|1,0,1]=4 7383 B18R1.10618 CC(C)OCCOCC(=O)NCc1ccccc1 7a_100000211219_100000183539 [0,0,0,0,0,2|1,0,1]=4 7384 B18R1.10618 CC(C)OCCOCC(=O)OCc1ccccc1 34a_100000211219_100000753625 [0,0,0,0,0,2|1,0,1]=4 7385 B18R1.10618 CC(C)OCCOCC(=O)OCc1ccccc1 7a_100000211219_100000753625 [0,0,0,0,0,2|1,0,1]=4 7386 B18R1.10618 CC(C)SCCOCC(=O)CCc1ccccc1 34a_200011212901_100012361361 [0,0,0,0,0,2|0,0,2]=4 7387 B18R1.10618 CC(C)SCCOCC(=O)CCc1ccccc1 7a_200011212901_100012361361 [0,0,0,0,0,2|0,0,2]=4 7388 B18R1.10618 CC(C)SCCOCC(=O)NCc1ccccc1 34a_200011212901_100000183539 [0,0,0,0,0,2|1,0,1]=4 7389 B18R1.10618 CC(C)SCCOCC(=O)NCc1ccccc1 7a_200011212901_100000183539 [0,0,0,0,0,2|1,0,1]=4 7390 B18R1.10618 CC(C)SCCOCC(=O)OCc1ccccc1 34a_200011212901_100000753625 [0,0,0,0,0,2|1,0,1]=4 7391 B18R1.10618 CC(C)SCCOCC(=O)OCc1ccccc1 7a_200011212901_100000753625 [0,0,0,0,0,2|1,0,1]=4 7392 B18R1.20927 CC(C)CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011216152 [0,0,0,0,0,2|1,0,0]=3 7393 B18R1.20927 CC(C)CCCCC(=O)C/C=C/c1ccccc1 1458a_100011933920_100016265936 [0,0,0,0,0,2|1,0,0]=3 7394 B18R1.20927 CC(C)CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011216152 [0,0,0,0,0,2|1,0,0]=3 7395 B18R1.20927 CC(C)CCCNC(=O)C/C=C/c1ccccc1 11a_200000737386_100011219626 [0,0,0,0,0,2|1,0,0]=3 7396 B18R1.20927 CC(C)CCCNC(=O)C/C=C/c1ccccc1 1626a_200000737386_100011219626 [0,0,0,0,0,2|1,0,0]=3 7397 B18R1.20927 CC(C)CCCNC(=O)C/C=C/c1ccccc1 240690a_200000737386_100011219626 [0,0,0,0,0,2|1,0,0]=3 7398 B18R1.20927 CC(C)CCCNC(=O)C=CSc1ccccc1 11a_200000737386_100016262050 [0,0,0,0,0,2|1,0,0]=3 7399 B18R1.20927 CC(C)CCCNC(=O)C=CSc1ccccc1 1626a_200000737386_100016262050 [0,0,0,0,0,2|1,0,0]=3 7400 B18R1.20927 CC(C)CCCNC(=O)C=CSc1ccccc1 240690a_200000737386_100016262050 [0,0,0,0,0,2|1,0,0]=3 7401 B18R1.20927 CC(C)CCOCC(=O)NCCc1ccccc1 34a_100000210254_100000183012 [0,0,0,0,0,2|0,0,2]=4 7402 B18R1.20927 CC(C)CCOCC(=O)NCCc1ccccc1 7a_100000210254_100000183012 [0,0,0,0,0,2|0,0,2]=4 7403 B18R1.20927 CC(C)CCOCC(=O)NOCc1ccccc1 34a_100000210254_100000230105 [0,0,0,0,0,2|1,0,1]=4 7404 B18R1.20927 CC(C)CCOCC(=O)NOCc1ccccc1 7a_100000210254_100000230105 [0,0,0,0,0,2|1,0,1]=4 7405 B18R1.20927 CC(C)CCOCC(=O)OCCc1ccccc1 34a_100000210254_200000077782 [0,0,0,0,0,2|0,0,2]=4 7406 B18R1.20927 CC(C)CCOCC(=O)OCCc1ccccc1 7a_100000210254_200000077782 [0,0,0,0,0,2|0,0,2]=4 7407 B18R1.20927 CC(C)OCCNC(=O)C/C=C/c1ccccc1 11a_100000701111_100011219626 [0,0,0,0,0,2|1,0,0]=3 7408 B18R1.20927 CC(C)OCCNC(=O)C/C=C/c1ccccc1 1626a_100000701111_100011219626 [0,0,0,0,0,2|1,0,0]=3 7409 B18R1.20927 CC(C)OCCNC(=O)C/C=C/c1ccccc1 240690a_100000701111_100011219626 [0,0,0,0,0,2|1,0,0]=3 7410 B18R1.20927 CC(C)OCCNC(=O)C=CSc1ccccc1 11a_100000701111_100016262050 [0,0,0,0,0,2|1,0,0]=3 7411 B18R1.20927 CC(C)OCCNC(=O)C=CSc1ccccc1 1626a_100000701111_100016262050 [0,0,0,0,0,2|1,0,0]=3 7412 B18R1.20927 CC(C)OCCNC(=O)C=CSc1ccccc1 240690a_100000701111_100016262050 [0,0,0,0,0,2|1,0,0]=3 7413 B18R1.20927 CC(C)SCCNC(=O)C/C=C/c1ccccc1 11a_100000731138_100011219626 [0,0,0,0,0,2|1,0,0]=3 7414 B18R1.20927 CC(C)SCCNC(=O)C/C=C/c1ccccc1 1626a_100000731138_100011219626 [0,0,0,0,0,2|1,0,0]=3 7415 B18R1.20927 CC(C)SCCNC(=O)C/C=C/c1ccccc1 240690a_100000731138_100011219626 [0,0,0,0,0,2|1,0,0]=3 7416 B18R1.20927 CC(C)SCCNC(=O)C=CSc1ccccc1 11a_100000731138_100016262050 [0,0,0,0,0,2|1,0,0]=3 7417 B18R1.20927 CC(C)SCCNC(=O)C=CSc1ccccc1 1626a_100000731138_100016262050 [0,0,0,0,0,2|1,0,0]=3 7418 B18R1.20927 CC(C)SCCNC(=O)C=CSc1ccccc1 240690a_100000731138_100016262050 [0,0,0,0,0,2|1,0,0]=3 7419 B18R1.20927 CN(C)CCCNC(=O)C/C=C/c1ccccc1 240690a_102531767803_100011219626 [0,0,0,0,0,2|2,0,0]=4 7420 B18R1.20927 CN(C)CCCNC(=O)C=CSc1ccccc1 240690a_102531767803_100016262050 [0,0,0,0,0,2|2,0,0]=4 7421 B18R1.20927 CN(C)CCNNC(=O)C/C=C/c1ccccc1 22a_100000738145_100011219626 [0,0,0,0,0,2|2,0,0]=4 7422 B18R1.20927 CN(C)CCNNC(=O)C=CSc1ccccc1 22a_100000738145_100016262050 [0,0,0,0,0,2|2,0,0]=4 7423 B18R1.21046 CC(C)CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100011214892 [0,0,0,0,0,2|1,0,0]=3 7424 B18R1.21046 CC(C)CCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100011214892 [0,0,0,0,0,2|1,0,0]=3 7425 B18R1.21046 CC(C)CCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100011216857 [0,0,0,0,0,2|1,0,0]=3 7426 B18R1.21046 CC(C)CCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100011216857 [0,0,0,0,0,2|1,0,0]=3 7427 B18R1.21046 CC(C)CCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100011216857 [0,0,0,0,0,2|1,0,0]=3 7428 B18R1.21046 CC(C)CCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100011216857 [0,0,0,0,0,2|1,0,0]=3 7429 B18R1.21046 CC(C)CCNC(=O)C=C/C=C/c1ccccc1 1626a_100000210545_100016289705 [0,0,0,0,0,2|1,0,0]=3 7430 B18R1.21046 CC(C)CCNC(=O)C=CCCc1ccccc1 11a_100000210545_100016484021 [0,0,0,0,0,2|1,0,0]=3 7431 B18R1.21046 CC(C)CCNC(=O)C=CCCc1ccccc1 1626a_100000210545_100016484021 [0,0,0,0,0,2|1,0,0]=3 7432 B18R1.21046 CC(C)CCNC(=O)C=CCCc1ccccc1 240690a_100000210545_100016484021 [0,0,0,0,0,2|1,0,0]=3 7433 B18R1.21046 CC(C)CCNC(=O)NC/C=C/c1ccccc1 2708a_100000210545_100020603302 [0,0,0,0,0,2|1,0,0]=3 7434 B18R1.21046 CC(C)CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100000210545 [0,0,0,0,0,2|1,0,0]=3 7435 B18R1.21046 CC(C)CCNC(=O)NC/C=C/c1ccccc1 273464a_100000210545_100020603302 [0,0,0,0,0,2|1,0,0]=3 7436 B18R1.21046 CC(C)CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000210545 [0,0,0,0,0,2|1,0,0]=3 7437 B18R1.21046 CC(C)CCNC(=O)NC/C=C/c1ccccc1 512a_100000210545_100020603302 [0,0,0,0,0,2|1,0,0]=3 7438 B18R1.21046 CC(C)CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000210545 [0,0,0,0,0,2|1,0,0]=3 7439 B18R1.21046 CC(C)CNCC(=O)NC/C=C/c1ccccc1 2230a_100000210953_100102863107 [0,0,0,0,0,2|2,0,0]=4 7440 B18R1.21046 CC(C)CNCC(=O)NC/C=C/c1ccccc1 34a_100000210953_100102863107 [0,0,0,0,0,2|2,0,0]=4 7441 B18R1.21046 CC(C)CNNC(=O)C=C/C=C/c1ccccc1 22a_100000696102_100016289705 [0,0,0,0,0,2|2,0,0]=4 7442 B18R1.21046 CC(C)CNNC(=O)C=CCCc1ccccc1 22a_100000696102_100016484021 [0,0,0,0,0,2|2,0,0]=4 7443 B18R1.21046 CC(C)CNNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000696102 [0,0,0,0,0,2|2,0,0]=4 7444 B18R1.21046 CC(C)CNNC(=O)NC/C=C/c1ccccc1 512a_100000696102_100020603302 [0,0,0,0,0,2|2,0,0]=4 7445 B18R1.21046 CC(C)CNNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000696102 [0,0,0,0,0,2|2,0,0]=4 7446 B18R1.21046 CC(C)COCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100011223364 [0,0,0,0,0,2|2,0,0]=4 7447 B18R1.21046 CC(C)COCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100011223364 [0,0,0,0,0,2|2,0,0]=4 7448 B18R1.21046 CC(C)COCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100011223364 [0,0,0,0,0,2|2,0,0]=4 7449 B18R1.21046 CC(C)COCC(=O)NC/C=C/c1ccccc1 34a_100000210257_100102863107 [0,0,0,0,0,2|2,0,0]=4 7450 B18R1.21046 CC(C)COCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100011223364 [0,0,0,0,0,2|2,0,0]=4 7451 B18R1.21046 CC(C)CSCC(=O)NC/C=C/c1ccccc1 62a_100000210624_100102863107 [0,0,0,0,0,2|2,0,0]=4 7452 B18R1.21046 CC(C)CSCC(=O)NC/C=C/c1ccccc1 62a_100102863107_100000210760 [0,0,0,0,0,2|2,0,0]=4 7453 B18R1.21046 CC(C)OCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000211751 [0,0,0,0,0,2|2,0,0]=4 7454 B18R1.21046 CC(C)OCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000211751 [0,0,0,0,0,2|2,0,0]=4 7455 B18R1.21046 CC(C)SCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000730970 [0,0,0,0,0,2|2,0,0]=4 7456 B18R1.21046 CC(C)SCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000730970 [0,0,0,0,0,2|2,0,0]=4 7457 B18R1.21046 CC(O)CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200000718107 [0,0,0,0,0,2|2,0,0]=4 7458 B18R1.21046 CC(O)CCCC(=O)C=CCCc1ccccc1 1458a_100016484021_200000718107 [0,0,0,0,0,2|2,0,0]=4 7459 B18R1.21046 CC(O)CCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000761597 [0,0,0,0,0,2|2,0,0]=4 7460 B18R1.21046 CC(O)CCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000761597 [0,0,0,0,0,2|2,0,0]=4 7461 B18R1.21046 CC(O)CCNC(=O)C=CCCc1ccccc1 240690a_200000755665_100016484021 [0,0,0,0,0,2|2,0,0]=4 7462 B18R1.21046 CC(O)CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_200000755665 [0,0,0,0,0,2|2,0,0]=4 7463 B18R1.21046 CC(O)CCNC(=O)NC/C=C/c1ccccc1 273464a_200000755665_100020603302 [0,0,0,0,0,2|2,0,0]=4 7464 B18R1.21046 CC(O)CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_200000755665 [0,0,0,0,0,2|2,0,0]=4 7465 B18R1.21046 CC(O)CCNC(=O)NC/C=C/c1ccccc1 512a_200000755665_100020603302 [0,0,0,0,0,2|2,0,0]=4 7466 B18R1.21046 CN(C)CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000695564 [0,0,0,0,0,2|2,0,0]=4 7467 B18R1.21046 CN(C)CCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000695564 [0,0,0,0,0,2|2,0,0]=4 7468 B18R1.21046 CN(C)CCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000740757 [0,0,0,0,0,2|2,0,0]=4 7469 B18R1.21046 CN(C)CCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000740757 [0,0,0,0,0,2|2,0,0]=4 7470 B18R1.21046 CN(C)CCNC(=O)C=CCCc1ccccc1 240690a_100000210585_100016484021 [0,0,0,0,0,2|2,0,0]=4 7471 B18R1.21046 CN(C)CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100000210585 [0,0,0,0,0,2|2,0,0]=4 7472 B18R1.21046 CN(C)CCNC(=O)NC/C=C/c1ccccc1 273464a_100000210585_100020603302 [0,0,0,0,0,2|2,0,0]=4 7473 B18R1.21046 CN(C)CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000210585 [0,0,0,0,0,2|2,0,0]=4 7474 B18R1.21046 CN(C)CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000210585 [0,0,0,0,0,2|2,0,0]=4