0 B6R0.6 CC/C=C\CCO T22295 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.6 CCC/C=C/C=O T8099 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.6 CCC/C=C/CO TN5162 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 CCCCCCO TN6891 [0,0,0,0,0,0|0,0,4]=4 4 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,1,0,0,0,0|0,0,2]=3 5 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [0,1,0,0,0,0|0,0,2]=3 6 B7R0.4 NCCCCC(O)=O T5089 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.4 OC(=O)COCCBr T14786 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.1 COc1ccoc1 TN2959 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.3 Cc1ccccn1 T21323 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.3 O=C1CCCCO1 T4821 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.3 O=C1NCCC=C1 TN3081 [0,0,0,1,0,0|1,0,2]=4 12 B7R1.3 O=c1cccc[nH]1 T4805 [0,0,0,1,0,0|1,0,2]=4 13 B7R1.4 CC1OCCC1=O T8050 [0,0,0,1,0,0|1,0,1]=3 14 B7R1.4 CN1CCCC1=O T5851 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.4 Cn1ccnc1S T0840 [0,0,0,1,0,0|2,1,0]=4 16 B7R1.4 Cn1sccc1=O T19774 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.4 Cn1sccc1=O T28029 [0,0,0,1,0,0|2,0,1]=4 18 B4R0.2 CCNCC T31448 [2,0,0,0,0,0|1,0,1]=4 19 B4R0.2 CCNCC T9038 [2,0,0,0,0,0|1,0,1]=4 20 B4R0.2 CSCC=C T5579 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.4 CC(C)CCC=O T20931 [1,1,0,0,0,0|0,0,1]=3 22 B6R0.4 CCOCC(O)=O T37501 [1,1,0,0,0,0|1,0,0]=3 23 B6R0.4 COCCC(O)=O T20899 [1,1,0,0,0,0|1,0,1]=4 24 B6R0.4 CSCCC(O)=O T5285 [1,1,0,0,0,0|1,0,1]=4 25 B6R0.4 NC/C=C/C(O)=O T23414 [1,1,0,0,0,0|1,0,0]=3 26 B6R0.4 NCCCC(O)=O T0508 [1,1,0,0,0,0|1,0,1]=4 27 B6R0.4 OC(=O)CCC=C T8032 [1,1,0,0,0,0|0,0,2]=4 28 B6R0.4 OC(=O)CNC=O T4741 [1,1,0,0,0,0|2,0,0]=4 29 B6R0.4 OC/C=C/C(O)=O T23473 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.7 CCCCCCC(C)=O TN6693 [0,2,0,0,0,0|0,0,2]=4 31 B8R0.7 NCCCCCC(O)=O T0881 [0,2,0,0,0,0|0,0,2]=4 32 B8R0.7 NCCOCCC(O)=O T14222 [0,2,0,0,0,0|1,0,1]=4 33 B8R0.7 OC(=O)CCOCCBr T14783 [0,2,0,0,0,0|1,0,1]=4 34 B8R0.7 OCCOCCC(O)=O T15510 [0,2,0,0,0,0|1,0,1]=4 35 B8R0.8 CCCCC(C)C(O)=O T8080 [0,2,0,0,0,0|0,0,2]=4 36 B8R0.8 CCCCC(O)C(O)=O T5224 [0,2,0,0,0,0|0,0,2]=4 37 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,2,0,0,0,0|0,0,2]=4 38 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [0,2,0,0,0,0|1,0,1]=4 39 B8R0.9 COC(=O)CCC(C)=O TN4548 [0,2,0,0,0,0|1,0,1]=4 40 B8R0.9 NCC(=O)CCC(O)=O T14047 [0,2,0,0,0,0|1,0,1]=4 41 B8R0.9 NCC(=O)CCC(O)=O T1662 [0,2,0,0,0,0|1,0,1]=4 42 B8R0.9 NCC(=O)NCC(O)=O T5286 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.5 CCOC(=O)CC(C)=O T15254 [0,2,0,0,0,0|1,0,0]=3 44 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,2,0,0,0,0|1,0,0]=3 45 B8R0.5 CCOC(=O)CC([O-])=O T22328 [0,2,0,0,0,0|1,0,0]=3 46 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [0,2,0,0,0,0|0,0,2]=4 47 B6R1.2 C[c-]1cccc1 T20558 [1,0,0,1,0,0|0,0,2]=4 48 B6R1.2 Cn1ccnc1 T0575 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.2 O=C1CCSC1 T37630 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.5 CC1CCCCC1=O T36789 [0,1,0,1,0,0|0,0,2]=4 51 B8R1.8 NCCC1=CSC=N1 T29422 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.8 NCCc1c[nH]cn1 T0965 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.8 NCCc1c[nH]cn1 T6535 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.8 NCCc1cnc[nH]1 T6534 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.22 O=C1CCCCCN1 T20386 [0,1,0,1,0,0|0,0,2]=4 56 B8R1.22 O=C1NCCCCC1 T20195 [0,1,0,1,0,0|0,0,2]=4 57 B8R1.22 O=C1NCCCCC1 T32363 [0,1,0,1,0,0|0,0,2]=4 58 B8R1.1 CCC1CCC(=O)O1 T8098 [0,1,0,1,0,0|0,0,2]=4 59 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,1,0,1,0,0|0,0,2]=4 60 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,1,0,1,0,0|0,0,2]=4 61 B8R1.4 CC1CC=CC(=O)O1 TN3177 [0,1,0,1,0,0|0,0,2]=4 62 B8R1.4 O=C1CCNC(=O)N1 T4886 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [0,1,0,1,0,0|1,0,1]=4 64 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.18 CC1=CC(=O)OC1=O TN6957 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.18 CC1OC(C)=CC1=O T22309 [0,1,0,1,0,0|1,0,1]=4