0 B12R2.10 N[C@H]1COC[C@@H]1N2CCCC2 CBR01597 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.10 O=C1CCCC1=C2CCCC2 R238295 [0,0,0,0,0,0|0,0,2]=2 2 B12R2.10 O=C1CCCC1C2CCCC2 S497320 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.10 O[C@H]1CNC[C@@H]1N2CCCC2 CBR00677 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.2348 O=C1CCC(=C1Br)C2CCCC2 PH015991 [0,1,0,0,0,0|1,0,2]=4 5 B11R1.4 C(=O)OCCCC1CCCO1 T177563 [0,0,1,0,0,0|2,0,0]=3 6 B11R1.4 N#CCCCCN1CCCC1 S431273 [0,0,1,0,0,0|2,0,1]=4 7 B11R1.30 CCOC(=O)CC1CCCC1 S433101 [0,0,1,0,0,0|1,0,0]=2 8 B11R1.30 CNCC(=O)NC1CCCC1 PH017395 [0,0,1,0,0,0|2,0,0]=3 9 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 CDS015546 [0,0,1,0,0,0|2,0,0]=3 10 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 CDS021374 [0,0,1,0,0,0|2,0,0]=3 11 B11R1.180 CCCCCC1CCCC1=O S148938 [0,0,1,0,0,0|0,0,0]=1 12 B11R1.180 [C-]#[N+]CCCN1CCCC1=O PH018707 [0,0,1,0,0,0|2,0,1]=4 13 B11R1.298 NCC(C(=O)O)C1CCCC1 PH015305 [0,0,1,0,0,0|2,0,0]=3 14 B13R3.102 O=C1CC2CC1C3C2CC=C3 S419419 [0,0,0,1,0,0|0,0,2]=3 15 B13R3.2828 OC1CC2CC1C3CCC2C3 T204218 [0,0,0,1,0,0|0,0,2]=3 16 B13R3.3599 O=C1OCC2C1C3CCC2C3 R178969 [0,0,0,1,0,0|1,0,0]=2 17 B13R3.3599 O=C1OCC2C1C3CCC2O3 L157805 [0,0,0,1,0,0|2,0,0]=3 18 B13R3.3599 O[C@@H]1CCC2C1C3CCC2C3 T298360 [0,0,0,1,0,0|0,0,2]=3 19 B13R2.15 CN1CCCC1C2CCCNC2 PH007269 [0,0,0,0,0,1|2,0,0]=3 20 B13R2.15 N[C@@H]1CCC[C@H]1N2CCOCC2 PH019374 [0,0,0,0,0,1|2,0,1]=4 21 B13R2.15 O=C1CCCN1C2CCNCC2 CDS012736 [0,0,0,0,0,1|1,0,0]=2 22 B13R2.15 O=C1OCCN1C2CCNCC2 CBR01700 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.15 O[C@@H]1CCC[C@H]1N2CCNCC2 PH019373 [0,0,0,0,0,1|1,0,2]=4 24 B13R2.18 CN1CCCCC1C2CCCN2 PH014877 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.18 O=C1CNCCN1C2CCCC2 CBR02297 [0,0,0,0,0,1|1,0,0]=2 26 B10R1.21 NCCCCN1CCCC1 PH010578 [1,0,1,0,0,0|2,0,0]=4 27 B10R1.21 NCCCOC1CCCC1 CBR01499 [1,0,1,0,0,0|2,0,0]=4 28 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [1,0,1,0,0,0|2,0,0]=4 29 B10R1.23 CN(C(=O)N)C1CCCC1 S345121 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.149 CCC(C)N1CCCC1=O PH008581 [1,0,1,0,0,0|1,0,0]=3 33 B10R1.29 CCCCN1CCCC1=O S434221 [1,0,1,0,0,0|1,0,0]=3 34 B12R1.37 C(=O)OCCCCC1CCCO1 T177369 [0,1,1,0,0,0|1,0,0]=3 35 B12R1.55 CCOC(=O)C(=O)C1CCCC1 PH014421 [0,1,1,0,0,0|1,0,1]=4 36 B12R1.55 CCOC(=O)C(Br)C1CCCC1 PH016311 [0,1,1,0,0,0|1,0,0]=3 37 B12R1.55 CCOC(=O)C(N)C1CCOC1 CDS021189 [0,1,1,0,0,0|2,0,0]=4 38 B12R1.55 CCOC(=O)C(O)C1CCOC1 CDS021290 [0,1,1,0,0,0|2,0,0]=4 39 B12R1.108 CCC(Br)C(=O)NC1CCCC1 PH015167 [0,1,1,0,0,0|1,0,0]=3 40 B12R1.260 CC(=O)CC(=O)NC1CCCC1 S345113 [0,1,1,0,0,0|1,0,1]=4 41 B12R1.318 CCOC(=O)CC1CCCC1=O T175358 [0,1,1,0,0,0|1,0,1]=4 42 B12R1.567 CCCCCN1C(=O)CCC1=O PH011424 [0,1,1,0,0,0|1,0,1]=4 43 B12R2.121 OC1(CCCC1)C2=CCCS2 T251771 [1,1,0,0,0,0|1,0,1]=4 44 B14R2.277 O=C1CCC(=O)N1C2CCCCC2 S551619 [0,1,0,0,0,1|1,0,1]=4 45 B14R2.598 CC1CN(C(=O)O1)C2CCNCC2 PH018968 [0,1,0,0,0,1|2,0,0]=4 46 B14R2.8191 O=C1CCCN1CC2(CCNC2)O PH018389 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.8191 O=C1CCCN1CC2(CCNC2)O PH018943 [0,1,0,0,0,1|2,0,0]=4 48 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,0,2,0,0,0|2,0,0]=4 49 B10R0.41 C(=O)NCCCN(CC)CC S379913 [0,0,2,0,0,0|2,0,0]=4 50 B10R0.71 C#CCCCCCCCCC CDS001229 [0,0,2,0,0,0|1,0,1]=4 51 B10R0.71 CCCCCCCCCCF S570354 [0,0,2,0,0,0|1,0,1]=4 52 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,0,2,0,0,0|2,0,0]=4 53 B10R0.34 CCC(CC)NC(=O)CNC PH014811 [0,0,2,0,0,0|2,0,0]=4 54 B10R0.94 CCC(CC)C(OC)C(=O)O PH015003 [0,0,2,0,0,0|2,0,0]=4 55 B12R2.7 O=C1CCCCC12CCCO2 T287350 [0,0,1,1,0,0|1,0,0]=3 56 B12R2.114 [C@H]12CCCC(=O)N[C@H]1CCC2 T167304 [0,0,1,1,0,0|1,0,0]=3 57 B12R2.1596 COC(=O)C1CC2CCC1C2 S409324 [0,0,1,1,0,0|1,0,0]=3 58 B12R2.8 O=C1NCCC12CCCNC2 CDS009342 [0,0,1,1,0,0|2,0,0]=4 59 B12R2.96 O=C1CCCC12CCCC2=O T278939 [0,0,1,1,0,0|1,0,1]=4 60 B12R2.694 O=C1C2CCCCCC1CC2 T187623 [0,0,1,1,0,0|0,0,0]=2 61 B14R3.2237 C=CC1=CCC2C1C3CCC2C3 T245984 [0,1,0,1,0,0|1,0,1]=4 62 B14R3.19310 OC1C[C@@H]2C[C@H]1C3C2[C@H](CC3)O T286052 [0,1,0,1,0,0|0,0,2]=4 63 B14R3.19311 O=C1CCC2C1C3C2C(=O)CC3 S333220 [0,1,0,1,0,0|0,0,1]=3 64 B14R3.19311 OC1CCC2C1C3C2C(CC3)O S287164 [0,1,0,1,0,0|0,0,2]=4 65 B14R3.32897 CC1CC2C3CC(C(C3)C2C1)C S434647 [0,1,0,1,0,0|1,0,1]=4 66 B14R3.32897 OC1CC2C3CC(C(C3)C2C1)O T213365 [0,1,0,1,0,0|0,0,2]=4 67 B14R3.5106 C[C@@]12CCC[C@@]1([C@H]3CC[C@@H]2C3)C T199702 [0,1,0,1,0,0|1,0,1]=4 68 B14R3.4531 OC1CC2C3CCC(C3)C2C1O S434051 [0,1,0,1,0,0|0,0,2]=4 69 B14R3.4519 CN1C2CC(C1C3CCC2C3)O T299561 [0,1,0,1,0,0|2,0,0]=4 70 B14R4.2750 OC1C2CC3C1C4C3CCC24 T204161 [0,0,0,2,0,0|0,0,2]=4 71 B12R1.8 C(=O)OCCCC1CCCCO1 T177490 [0,0,1,0,0,1|1,0,0]=3 72 B12R1.8 CCCCCCC1CCCCC1 S415766 [0,0,1,0,0,1|1,0,1]=4 73 B12R1.8 CCCCCCC1CCNCC1 PH013358 [0,0,1,0,0,1|1,0,1]=4 74 B12R1.32 CCCC(=O)NC1CCCCC1 PH009069 [0,0,1,0,0,1|1,0,0]=3 75 B12R1.32 CCNC(=O)CN1CCNCC1 CBR01289 [0,0,1,0,0,1|2,0,0]=4 76 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [0,0,1,0,0,1|2,0,0]=4 77 B12R1.32 CCOC(=O)CC1=CCCCC1 S368830 [0,0,1,0,0,1|1,0,1]=4 78 B12R1.32 CCOC(=O)CC1CCCNC1 PH010419 [0,0,1,0,0,1|1,0,0]=3 79 B12R1.32 CCOC(=O)CC1CCCNC1 PHB00138 [0,0,1,0,0,1|1,0,0]=3 80 B12R1.32 CCOC(=O)CC1CCNCC1 CDS003461 [0,0,1,0,0,1|1,0,0]=3 81 B12R1.32 CCOC(=O)CN1CCOCC1 PH011005 [0,0,1,0,0,1|2,0,0]=4 82 B12R1.32 CCOC(=O)NC1CCCCC1 S361593 [0,0,1,0,0,1|2,0,0]=4 83 B12R1.34 CN(C(=O)CCl)C1CCCCC1 PH010565 [0,0,1,0,0,1|2,0,0]=4 84 B12R1.34 COC(=O)C(Br)C1CCCCC1 S378194 [0,0,1,0,0,1|2,0,0]=4 85 B12R1.34 COC(=O)C(N)C1CCSCC1 CDS020916 [0,0,1,0,0,1|2,0,0]=4 86 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 CDS003570 [0,0,1,0,0,1|2,0,0]=4 87 B12R1.28 CCCCOC1=CC(=O)CCC1 PH011428 [0,0,1,0,0,1|1,0,1]=4 88 B12R1.478 CCC(C(=O)N)C1=CCCCC1 S344915 [0,0,1,0,0,1|1,0,1]=4 89 B12R1.478 CCC(C(=O)O)C1=CCCCC1 S407240 [0,0,1,0,0,1|1,0,1]=4 90 B12R1.478 CCN(C(=O)C)C1CCCCC1 PH008729 [0,0,1,0,0,1|1,0,0]=3 91 B14R2.24 CN1CCCCC1C2CCCCN2 PH015064 [0,0,0,0,0,2|2,0,0]=4 92 B14R2.24 NC1CCCCC1C2CCCCC2 CDS013757 [0,0,0,0,0,2|1,0,1]=4 93 B14R2.24 O=C1CCCCC1C2=CCCCC2 R238201 [0,0,0,0,0,2|0,0,1]=3 94 B14R2.24 O=C1CCCCC1C2CCCCC2 CDS000224 [0,0,0,0,0,2|0,0,0]=2 95 B14R2.24 O=C1CNCCN1C2CCCCC2 CBR00725 [0,0,0,0,0,2|1,0,0]=3 96 B14R2.24 O=C1OCCCN1C2CCNCC2 PH016834 [0,0,0,0,0,2|1,0,0]=3 97 B14R2.24 OC1CCCCC1C2CCCCC2 PH011434 [0,0,0,0,0,2|0,0,2]=4 98 B14R2.30 O=C1CCCC1CN2CCOCC2 S395900 [0,0,0,0,0,2|1,0,0]=3 99 B14R2.30 O=C1CCCN1CC2CCCNC2 CBR01469 [0,0,0,0,0,2|1,0,0]=3