0 B7R0.3 COC(=O)CCCBr HY-W004701 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 COC(=O)CCCN HY-79594 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C=CCC(=O)OC HY-W105369 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.1 CCOC(=O)CN HY-76204 [1,0,0,0,0,0|1,1,1]=4 4 B6R0.1 COC(=O)CCN HY-W007648 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 COC(=O)CCO HY-42569 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 COC(=O)OCCl HY-43384 [1,0,0,0,0,0|2,1,0]=4 7 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 C=CCNC(N)=S HY-B0543 [1,0,0,0,0,0|2,1,0]=4 9 B6R0.6 C=CCCCCO HY-W012995 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 C=CCSSSC HY-134900 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.1 C=CCSS(=O)CC=C HY-N0315 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,1,0,0,0,0|3,0,0]=4 20 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,1,0,0,0,0|3,0,0]=4 21 B8R1.1 C=CC1CNC(=S)O1 HY-N5056 [0,0,0,1,0,0|1,2,0]=4 22 B8R1.1 C=C[C@@H]1CNC(=S)O1 HY-N0224 [0,0,0,1,0,0|1,2,0]=4 23 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,0,0,1,0,0|0,1,2]=4 24 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,1,0,0|0,1,2]=4 29 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,1,0,0|0,1,2]=4 30 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,1,0,0|2,0,1]=4 31 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.2 CCSCCCl HY-W199190 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.3 CCC(=O)CO HY-W005327 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.3 CCC(=O)O[Na] HY-B1773A [2,0,0,0,0,0|1,1,0]=4 39 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [2,0,0,0,0,0|1,1,0]=4 40 B5R0.3 COC(=O)CN HY-Y1789 [2,0,0,0,0,0|1,1,0]=4 41 B5R0.3 O=C(CO)CO HY-Y0335 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [1,1,0,0,0,0|0,1,1]=4 44 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [1,1,0,0,0,0|0,1,1]=4 45 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,1,0,0,0,0|0,1,1]=4 46 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.1 C=CCSSCC=C HY-W015635 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.18 C=CCOC(=O)NCCN HY-145735 [0,2,0,0,0,0|0,1,0]=3 51 B9R0.18 C=CCOC(=O)NCCN HY-W098764 [0,2,0,0,0,0|0,1,0]=3 52 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.7 CC(S)C(=O)NCC(=O)O HY-B0373 [0,2,0,0,0,0|2,0,0]=4 55 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|0,0,2]=4 57 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,1,1]=4 58 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.2 O=C1CCC(=O)N1 HY-41877 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,1,0,0|1,1,0]=4 61 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,1,1]=4 63 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|1,0,1]=4 67 B9R1.69 C[C@@H]1NC(=O)CNC1=O HY-75564 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,1,0,1,0,0|2,0,0]=4 71 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,1,0,1,0,0|2,0,0]=4