0 B14R1.727 CCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000210202 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.727 CNC(=O)CCn1ccc(=O)[nH]c1=O 240690a_100102657272_100102524993 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.727 CNC(=O)CCn1ccc(=O)[nH]c1=O 527a_100102657272_100102524993 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.727 COC(=O)CSc1ccc(=O)[nH]c1N 62a_100009884077_100000747449 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.727 O=C(CF)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100015361967 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.14 COC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000747449 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747449 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000747449_100000212171 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.164 CC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_200000210301 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.164 NC(=O)CSc1ccc(=O)[nH]c1N 62a_100009884077_100000747473 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.164 [13CH3]C(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_200025704644 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.528 CCC(=O)CCn1ccccc1=O 1458a_100000738505_100000210202 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.528 CNC(=O)CCn1ccccc1=O 11a_106832991635_100000738505 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.528 CNC(=O)CCn1ccccc1=O 1626a_100102657272_100000738505 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.528 CNC(=O)CCn1ccccc1=O 240690a_100102657272_100000738505 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.528 CNC(=O)CCn1ccccc1=O 527a_100102657272_100000738505 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.528 O=C(CF)CCn1ccccc1=O 1458a_100000738505_100015361967 [1,0,0,0,0,0|3,0,0]=4 17 B15R1.791 C#CCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000184674 [0,1,0,0,0,0|2,0,0]=3 18 B15R1.791 C=CCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000210623 [0,1,0,0,0,0|2,0,0]=3 19 B15R1.791 CCCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000210303 [0,1,0,0,0,0|2,0,0]=3 20 B15R1.791 CCNC(=O)CCn1ccc(=O)[nH]c1=O 240690a_100015525214_100102524993 [0,1,0,0,0,0|2,0,0]=3 21 B15R1.791 CCNC(=O)CCn1ccc(=O)[nH]c1=O 527a_100015525214_100102524993 [0,1,0,0,0,0|2,0,0]=3 22 B15R1.791 CNNC(=O)CCn1ccc(=O)[nH]c1=O 22a_100016993582_100102524993 [0,1,0,0,0,0|1,0,0]=2 23 B15R1.791 N#CCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100011214920 [0,1,0,0,0,0|1,0,1]=3 24 B15R1.791 O=C(CCF)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100011217306 [0,1,0,0,0,0|2,0,0]=3 25 B15R1.791 O=C(CCO)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000211926 [0,1,0,0,0,0|2,0,0]=3 26 B15R1.5823 CC(C)C(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000210206 [0,1,0,0,0,0|2,0,0]=3 27 B15R1.5823 CN(C)C(=O)CCn1ccc(=O)[nH]c1=O 240690a_100102631434_100102524993 [0,1,0,0,0,0|2,0,0]=3 28 B15R1.5823 CN(C)C(=O)CCn1ccc(=O)[nH]c1=O 527a_100102631434_100102524993 [0,1,0,0,0,0|2,0,0]=3 29 B15R1.38791 C#CC(=O)CCn1c(=O)cc([nH]c1=O)C 1458a_100000211873_200000066487 [0,1,0,0,0,0|3,0,0]=4 30 B15R1.38791 C=CC(=O)CCn1c(=O)cc([nH]c1=O)C 1458a_100000185746_200000066487 [0,1,0,0,0,0|3,0,0]=4 31 B15R1.38791 CCC(=O)CCn1c(=O)cc([nH]c1=O)C 1458a_100000210414_200000066487 [0,1,0,0,0,0|3,0,0]=4 32 B15R1.38791 Cc1cc(=O)n(c(=O)[nH]1)CCC(=O)CO 1458a_100000210174_200000066487 [0,1,0,0,0,0|3,0,0]=4 33 B13R0.429 C=CC(=O)CC(=O)NCCC(=O)OC 1458a_100000185746_100000230212 [0,0,1,0,0,0|2,0,0]=3 34 B13R1.2679 CCC(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_100000210202 [0,0,0,0,1,0|2,0,0]=3 35 B13R1.2679 CNC(=O)Cn1ccc(=O)[nH]c1=O 240690a_100102657272_100000212167 [0,0,0,0,1,0|2,0,0]=3 36 B13R1.2679 CNC(=O)Cn1ccc(=O)[nH]c1=O 527a_100102657272_100000212167 [0,0,0,0,1,0|2,0,0]=3 37 B13R1.2679 O=C(CF)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_100015361967 [0,0,0,0,1,0|2,0,0]=3 38 B15R1.3836 COC(=O)CCSc1ccc(=O)[nH]c1N 62a_100009884077_100000204255 [0,0,0,0,0,1|3,0,0]=4 39 B15R1.3836 COC(=O)CSCc1c[nH]c(=O)[nH]c1=O 62a_100000747449_100000035367 [0,0,0,0,0,1|3,0,0]=4 40 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747473 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000747473_100000212171 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [2,0,0,0,0,0|2,0,0]=4 45 B14R0.23 C=C(C)C(=O)CC(=O)NCCC(=O)OC 1458a_100000185857_100000230212 [0,1,1,0,0,0|2,0,0]=4 46 B14R1.3152 CC(=O)CCn1c(=O)cc([nH]c1=O)C 1458a_100000070787_200000066487 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.598 CNNC(=O)CCn1ccccc1=O 22a_100016993582_100000738505 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.20236 CCC(=O)Cn1cc(c(=O)[nH]c1=O)C 1458a_100011215684_100000210202 [0,1,0,0,1,0|2,0,0]=4 49 B14R1.20236 CCC(=O)Cn1cc(c(=O)[nH]c1=O)F 1458a_100011877732_100000210202 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.20236 CNC(=O)Cn1cc(c(=O)[nH]c1=O)C 240690a_100102657272_100011215684 [0,1,0,0,1,0|2,0,0]=4 51 B14R1.20236 CNC(=O)Cn1cc(c(=O)[nH]c1=O)C 527a_100102657272_100011215684 [0,1,0,0,1,0|2,0,0]=4 52 B14R1.20236 CNC(=O)Cn1cc(c(=O)[nH]c1=O)F 240690a_100102657272_100011877732 [0,1,0,0,1,0|2,0,0]=4 53 B14R1.20236 CNC(=O)Cn1cc(c(=O)[nH]c1=O)F 527a_100102657272_100011877732 [0,1,0,0,1,0|2,0,0]=4 54 B14R1.20236 Cc1cn(c(=O)[nH]c1=O)CC(=O)CF 1458a_100011215684_100015361967 [0,1,0,0,1,0|2,0,0]=4 55 B14R1.20236 O=C(CF)Cn1cc(c(=O)[nH]c1=O)F 1458a_100011877732_100015361967 [0,1,0,0,1,0|2,0,0]=4 56 B16R1.78310 CCC(=O)CC(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_100000747405 [0,1,0,0,0,1|2,0,0]=4 57 B16R1.78310 CNC(=O)CC(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_100000183359 [0,1,0,0,0,1|2,0,0]=4 58 B16R1.78310 COC(=O)CC(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_100000747449 [0,1,0,0,0,1|1,0,0]=3 59 B16R1.1478 C#CCCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000753159 [0,2,0,0,0,0|2,0,0]=4 60 B16R1.1478 C#CCNC(=O)CCn1ccc(=O)[nH]c1=O 240690a_100000212058_100102524993 [0,2,0,0,0,0|2,0,0]=4 61 B16R1.1478 C#CCNC(=O)CCn1ccc(=O)[nH]c1=O 527a_100000212058_100102524993 [0,2,0,0,0,0|2,0,0]=4 62 B16R1.1478 C/C=C/CC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100102629194 [0,2,0,0,0,0|2,0,0]=4 63 B16R1.1478 C=CCCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000754431 [0,2,0,0,0,0|2,0,0]=4 64 B16R1.1478 C=CCNC(=O)CCn1ccc(=O)[nH]c1=O 240690a_100020586998_100102524993 [0,2,0,0,0,0|2,0,0]=4 65 B16R1.1478 C=CCNC(=O)CCn1ccc(=O)[nH]c1=O 527a_100020586998_100102524993 [0,2,0,0,0,0|2,0,0]=4 66 B16R1.1478 CC#CCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000748600 [0,2,0,0,0,0|2,0,0]=4 67 B16R1.1478 CC=CCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000070051 [0,2,0,0,0,0|2,0,0]=4 68 B16R1.1478 CCCCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000210211 [0,2,0,0,0,0|2,0,0]=4 69 B16R1.1478 CCCNC(=O)CCn1ccc(=O)[nH]c1=O 240690a_100020643023_100102524993 [0,2,0,0,0,0|2,0,0]=4 70 B16R1.1478 CCCNC(=O)CCn1ccc(=O)[nH]c1=O 527a_100020643023_100102524993 [0,2,0,0,0,0|2,0,0]=4 71 B16R1.1478 CCNNC(=O)CCn1ccc(=O)[nH]c1=O 22a_100000756455_100102524993 [0,2,0,0,0,0|1,0,0]=3 72 B16R1.1478 COCCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000233755 [0,2,0,0,0,0|1,0,0]=3 73 B16R1.1478 CSCCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000751147 [0,2,0,0,0,0|1,1,0]=4 74 B16R1.1478 N#CCCC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100011215226 [0,2,0,0,0,0|1,0,1]=4 75 B16R1.1478 N#CCNC(=O)CCn1ccc(=O)[nH]c1=O 527a_100000734998_100102524993 [0,2,0,0,0,0|1,0,1]=4 76 B16R1.1478 O=C(CCCF)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100011934791 [0,2,0,0,0,0|2,0,0]=4 77 B16R1.1478 O=C(CCCO)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100011215043 [0,2,0,0,0,0|2,0,0]=4 78 B16R1.1478 O=C(CCn1ccc(=O)[nH]c1=O)NCCF 240690a_100000724931_100102524993 [0,2,0,0,0,0|2,0,0]=4 79 B16R1.1478 O=C(CCn1ccc(=O)[nH]c1=O)NCCF 527a_100000724931_100102524993 [0,2,0,0,0,0|2,0,0]=4 80 B16R1.1478 O=C(CCn1ccc(=O)[nH]c1=O)NCCO 240690a_100000210304_100102524993 [0,2,0,0,0,0|2,0,0]=4 81 B16R1.1478 O=C(CCn1ccc(=O)[nH]c1=O)NCCO 527a_100000210304_100102524993 [0,2,0,0,0,0|2,0,0]=4 82 B16R1.7459 C=C(C)CC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000748629 [0,2,0,0,0,0|2,0,0]=4 83 B16R1.7459 C=C(F)CC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100009893438 [0,2,0,0,0,0|2,0,0]=4 84 B16R1.7459 CC(C)CC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000210624 [0,2,0,0,0,0|2,0,0]=4 85 B16R1.7459 CC(C)NC(=O)CCn1ccc(=O)[nH]c1=O 240690a_100138425928_100102524993 [0,2,0,0,0,0|2,0,0]=4 86 B16R1.7459 CC(C)NC(=O)CCn1ccc(=O)[nH]c1=O 527a_100138425928_100102524993 [0,2,0,0,0,0|2,0,0]=4 87 B16R1.7459 CC(O)CC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100011218427 [0,2,0,0,0,0|2,0,0]=4 88 B16R1.7459 NC(=O)CC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100000187820 [0,2,0,0,0,0|1,0,0]=3 89 B16R1.7459 O=C(CCn1ccc(=O)[nH]c1=O)CC(F)F 1458a_100102524993_100011934356 [0,2,0,0,0,0|2,0,0]=4 90 B16R1.7459 O=C(CCn1ccc(=O)[nH]c1=O)C[N+](=O)[O-] 1458a_100102524993_100000761209 [0,2,0,0,0,0|1,0,1]=4 91 B16R1.7459 O=C([O-])CC(=O)CCn1ccc(=O)[nH]c1=O 1458a_100102524993_100020667443 [0,2,0,0,0,0|2,0,0]=4 92 B16R1.69472 COCC(=O)CCn1c(=O)cc([nH]c1=O)C 1458a_100000210968_200000066487 [0,2,0,0,0,0|2,0,0]=4 93 B16R1.7466 O=C(CCn1ccc(=O)[nH]c1=O)C(F)(F)F 1458a_100102524993_200000243211 [0,2,0,0,0,0|2,0,0]=4 94 B12R0.147 C=CC(=O)CC(=O)CCC(=O)OC 1458a_100000185746_100000691467 [0,0,1,0,1,0|2,0,0]=4 95 B12R0.147 C=CC(=O)CC(=O)NCC(=O)OC 1458a_100000185746_100000182966 [0,0,1,0,1,0|2,0,0]=4 96 B12R1.233 CC(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_200000210301 [1,0,0,0,1,0|1,0,0]=3 97 B12R1.233 [13CH3]C(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_200025704644 [1,0,0,0,1,0|1,0,0]=3 98 B14R0.18 C=CC(=O)NCC(=O)CCCC(=O)OC 1458a_200011222540_100011218270 [0,0,1,0,0,1|2,0,0]=4 99 B14R0.18 C=CC(=O)NCC(=O)NCCC(=O)NC 11a_100000738227_200011222540 [0,0,1,0,0,1|2,0,0]=4 100 B14R0.18 C=CC(=O)NCC(=O)NCCC(=O)NC 240690a_100000738227_200011222540 [0,0,1,0,0,1|2,0,0]=4 101 B14R0.18 C=CC(=O)NCC(=O)NCCC(=O)NC 527a_100000738227_200011222540 [0,0,1,0,0,1|2,0,0]=4 102 B14R0.2341 C=CC(=O)CC(=O)NCCCC(=O)OC 1458a_100000185746_100000230218 [0,0,1,0,0,1|2,0,0]=4 103 B14R1.13 COC(=O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100000742370 [1,0,0,0,0,1|2,0,0]=4 104 B14R1.13 COC(=O)CCSc1ccc(=O)[nH]c1 62a_100000204255_100000212171 [1,0,0,0,0,1|2,0,0]=4 105 B14R1.13 COC(=O)CCSc1ccc(=O)[nH]c1 62a_100000212171_100000204255 [1,0,0,0,0,1|2,0,0]=4 106 B14R1.13 COC(=O)COCc1ccc(=O)[nH]c1 34a_100011999846_100000747449 [1,0,0,0,0,1|2,0,0]=4