0 B24R1.42820735 CC(=CC(=O)CCO)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1458a_100020587556_100000211926 [0,0,0,0,0,0|2,0,0]=2 1 B23R1.15904525 CNC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100102657272_100020587556 [1,0,0,0,0,0|0,0,0]=1 2 B25R1.23882580 CC(=CC(=O)CC(C)O)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1458a_100020587556_100011218427 [0,1,0,0,0,0|1,0,0]=2 3 B25R1.23882580 CC(=CC(=O)C[N+](=O)[O-])/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1458a_100020587556_100000761209 [0,1,0,0,0,0|3,0,0]=4 4 B25R1.102145021 C#CCNC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000212058_100020587556 [0,1,0,0,0,0|0,0,1]=2 5 B25R1.102145021 C=CCNC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100020586998_100020587556 [0,1,0,0,0,0|0,0,1]=2 6 B25R1.102145021 CC(=CC(=O)CCCO)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1458a_100020587556_100011215043 [0,1,0,0,0,0|1,0,0]=2 7 B25R1.102145021 CC(=CC(=O)NCC#N)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000734998_100020587556 [0,1,0,0,0,0|0,0,1]=2 8 B25R1.102145021 CC(=CC(=O)NCCF)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000724931_100020587556 [0,1,0,0,0,0|0,0,0]=1 9 B25R1.102145021 CCNNC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 22a_100000756455_100020587556 [0,1,0,0,0,0|0,0,0]=1 10 B24R1.45820430 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COCCO)/C)/C 34a_100016997469_100000211926 [1,1,0,0,0,0|1,0,1]=4 11 B24R1.45820430 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COCCO)/C)/C 7a_100016997469_100000211926 [1,1,0,0,0,0|1,0,1]=4 12 B24R1.17208931 CC(=CC(=O)N(C)C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100102631434_100020587556 [1,1,0,0,0,0|0,0,0]=2 13 B26R1.305291697 C#CC(C)NC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000707721_100020587556 [0,2,0,0,0,0|0,0,0]=2 14 B26R1.305291697 CC(=CC(=O)NC(C)C#N)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000737613_100020587556 [0,2,0,0,0,0|0,0,0]=2 15 B26R1.305291697 CC(=CC(=O)N[C@H](C)CF)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100102880703_100020587556 [0,2,0,0,0,0|0,0,0]=2 16 B26R1.305291697 CNC(=O)CC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1458a_100020587556_100000183359 [0,2,0,0,0,0|1,0,1]=4 17 B26R1.305291697 COC(=O)CC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1458a_100020587556_100000747449 [0,2,0,0,0,0|1,0,1]=4 18 B26R1.31288074 CC(=CC(=O)NCC(F)F)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000765723_100020587556 [0,2,0,0,0,0|0,0,0]=2 19 B26R1.31288074 CC(=CC(=O)NNC(C)C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 22a_100000741168_100020587556 [0,2,0,0,0,0|0,0,0]=2 20 B26R1.112577873 C#CCCNC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000755551_100020587556 [0,2,0,0,0,0|0,0,0]=2 21 B26R1.112577873 C=CCNNC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 22a_100020588587_100020587556 [0,2,0,0,0,0|0,0,1]=3 22 B26R1.112577873 CC#CCNC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000685387_100020587556 [0,2,0,0,0,0|0,0,0]=2 23 B26R1.112577873 CC(=CC(=O)CC#CCO)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1458a_100020587556_200000047223 [0,2,0,0,0,0|1,0,1]=4 24 B26R1.112577873 CC(=CC(=O)NCCC#N)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000720768_100020587556 [0,2,0,0,0,0|0,0,0]=2 25 B26R1.112577873 CC(=CC(=O)NCCCF)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100015189416_100020587556 [0,2,0,0,0,0|0,0,0]=2 26 B26R1.112577873 CCCNNC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 22a_100000740057_100020587556 [0,2,0,0,0,0|0,0,0]=2 27 B26R1.112577873 COCCNC(=O)C=C(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C 1626a_100000209980_100020587556 [0,2,0,0,0,0|0,0,0]=2 28 B26R2.808748227 CC(=CC(=O)CC1CO1)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C 1458a_100020587556_100011216344 [0,1,0,1,0,0|1,0,0]=3 29 B26R2.808748227 CC(=CC(=O)C[C@@H]1CO1)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C 1458a_100020587556_100000745022 [0,1,0,1,0,0|1,0,0]=3 30 B26R2.808748227 CC(=CC(=O)NC1CC1)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C 1626a_100000212008_100020587556 [0,1,0,1,0,0|0,0,0]=2 31 B26R2.808747681 CC(=CC(=O)C1COC1)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C 1458a_100020587556_100000687716 [0,1,0,1,0,0|1,0,0]=3