0 B6R1.1 C1CSCCN1 HY-W007359 [0,0,0,0,0,0|0,1,0]=1 1 B6R1.1 C1CSCSC1 HY-W001189 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.3 BrC1CCOCC1 HY-W003396 [0,1,0,0,0,0|1,0,0]=2 3 B7R1.3 CC1CCOCO1 HY-W111914 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,1,0,0,0,0|1,0,0]=2 5 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,1,0,0,0,0|1,0,2]=4 6 B7R1.3 O=C1CCCCN1 HY-W042193 [0,1,0,0,0,0|1,0,1]=3 7 B7R1.3 O=C1CCCCO1 HY-W012997 [0,1,0,0,0,0|1,0,1]=3 8 B7R1.3 O=C1CCOCC1 HY-76487 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 O=C1CCSCC1 HY-W002007 [0,1,0,0,0,0|1,1,0]=3 10 B7R1.3 O=C1CNCCN1 HY-20128 [0,1,0,0,0,0|1,0,1]=3 11 B7R1.3 OC1CCCCC1 HY-Y1217 [0,1,0,0,0,0|2,0,0]=3 12 B5R0.2 C#CCCCO HY-W010642 [0,0,1,0,0,0|1,0,2]=4 13 B5R0.2 CCCSSC HY-N7436 [0,0,1,0,0,0|2,1,0]=4 14 B5R0.2 CCSCCCl HY-W199190 [0,0,1,0,0,0|1,1,0]=3 15 B5R0.2 CC\C=C/CO HY-W030347 [0,0,1,0,0,0|1,0,1]=3 16 B5R0.2 NCCCCO HY-W002041 [0,0,1,0,0,0|2,0,0]=3 17 B5R0.2 OC\C=C/CO HY-W027631 [0,0,1,0,0,0|2,0,1]=4 18 B5R0.2 [2H]OCCO[2H] HY-Y0338S [0,0,1,0,0,0|3,0,0]=4 19 B5R0.2 [N-]=[N+]=NCCO HY-138461 [0,0,1,0,0,0|2,0,1]=4 20 B4R0.2 BrCCCBr HY-Y1806 [1,0,1,0,0,0|2,0,0]=4 21 B4R0.2 C#CCCO HY-W001947 [1,0,1,0,0,0|0,0,2]=4 22 B4R0.2 C=CCCN HY-W019321 [1,0,1,0,0,0|0,0,2]=4 23 B4R0.2 CNCCO HY-Y1783 [1,0,1,0,0,0|0,0,0]=2 24 B4R0.2 COCCO HY-139415 [1,0,1,0,0,0|1,0,0]=3 25 B4R0.2 NCCCO HY-Y0139 [1,0,1,0,0,0|1,0,0]=3 26 B4R0.2 O=CCCO HY-N8461 [1,0,1,0,0,0|1,0,1]=4 27 B4R0.2 OCCCBr HY-W007337 [1,0,1,0,0,0|1,0,0]=3 28 B4R0.2 OCCCO HY-W017758 [1,0,1,0,0,0|1,0,0]=3 29 B4R0.2 OCCCS HY-W090210 [1,0,1,0,0,0|1,0,0]=3 30 B6R0.1 CCOC(=O)CN HY-76204 [0,1,1,0,0,0|0,0,1]=3 31 B6R0.1 COC(=O)CCN HY-W007648 [0,1,1,0,0,0|2,0,0]=4 32 B6R0.1 COC(=O)CCO HY-42569 [0,1,1,0,0,0|2,0,0]=4 33 B6R0.4 CC(C)CCCO HY-W007511 [0,1,1,0,0,0|1,0,0]=3 34 B6R0.4 CCCCB(O)O HY-W000932 [0,1,1,0,0,0|2,0,0]=4 35 B6R0.4 CCCCC(N)=O HY-W144037 [0,1,1,0,0,0|1,0,1]=4 36 B6R0.4 CCNCC(=O)O HY-W141879 [0,1,1,0,0,0|0,0,1]=3 37 B6R0.4 CCOCC(=O)O HY-W027555 [0,1,1,0,0,0|1,0,1]=4 38 B6R0.4 CN(C)CCCCl HY-W018789 [0,1,1,0,0,0|2,0,0]=4 39 B6R0.6 BrCCOCCBr HY-W013458 [0,1,1,0,0,0|1,0,0]=3 40 B6R0.6 C#CCOCCN HY-116069 [0,1,1,0,0,0|0,0,1]=3 41 B6R0.6 C#CCOCCO HY-43614 [0,1,1,0,0,0|1,0,1]=4 42 B6R0.6 C(CO)=CCCC HY-W015936 [0,1,1,0,0,0|1,0,1]=4 43 B6R0.6 C=CCCCCO HY-W012995 [0,1,1,0,0,0|1,0,1]=4 44 B6R0.6 CCCCCCO HY-W032022 [0,1,1,0,0,0|1,0,0]=3 45 B6R0.6 CC\C=C/CCO HY-W010607 [0,1,1,0,0,0|1,0,0]=3 46 B6R0.6 ClCCNCCCl HY-Y0881 [0,1,1,0,0,0|1,0,0]=3 47 B6R0.6 NCCCCCN HY-W016750 [0,1,1,0,0,0|1,0,0]=3 48 B6R0.6 NCCCCCO HY-W012971 [0,1,1,0,0,0|1,0,0]=3 49 B6R0.6 NCCOCCN HY-140208 [0,1,1,0,0,0|0,0,0]=2 50 B6R0.6 NCCOCCN HY-140648 [0,1,1,0,0,0|0,0,0]=2 51 B6R0.6 OCCOCCBr HY-141213 [0,1,1,0,0,0|1,0,0]=3 52 B6R0.6 OCCOCCO HY-B1952 [0,1,1,0,0,0|1,0,0]=3 53 B6R0.6 SCCOCCS HY-145485 [0,1,1,0,0,0|1,0,0]=3 54 B6R1.2 CN1CCCC1 HY-128383 [0,1,0,0,1,0|0,0,0]=2 55 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,1,0,0,1,0|0,0,0]=2 56 B6R1.2 N=C1CCCS1 HY-W015798 [0,1,0,0,1,0|0,1,1]=4 57 B6R1.2 O=C1CCOC1 HY-33900 [0,1,0,0,1,0|0,0,1]=3 58 B6R1.2 O=C1CCSC1 HY-W010594 [0,1,0,0,1,0|0,1,1]=4 59 B6R1.2 O=C1NCCN1 HY-W031536 [0,1,0,0,1,0|1,0,1]=4 60 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,1,0,0,1,0|0,0,0]=2 61 B6R1.2 SC1=NCCN1 HY-W010593 [0,1,0,0,1,0|1,0,1]=4 62 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,1,0,0,0,1|1,0,0]=3 63 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,0,0,1|1,0,0]=3 64 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,0,0,1|1,0,0]=3 65 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,1,0,0,0,1|1,0,0]=3 66 B8R1.2 OCC1CCCCO1 HY-115051 [0,2,0,0,0,0|1,0,0]=3 67 B8R1.2 OCC1CCOCC1 HY-79631 [0,2,0,0,0,0|1,0,0]=3 68 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,2,0,0,0,0|1,0,0]=3 69 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,2,0,0,0,0|2,0,0]=4 70 B8R1.3 NC1CCC(N)CC1 HY-W007732B [0,2,0,0,0,0|2,0,0]=4 71 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,2,0,0,0,0|2,0,0]=4 73 B8R1.3 OC1COC(O)CO1 HY-W004661 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.5 CC1CCCCC1=O HY-W010549 [0,2,0,0,0,0|2,0,0]=4 76 B8R1.5 NC1CCCNC1=O HY-21088 [0,2,0,0,0,0|1,0,1]=4 77 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [0,2,0,0,0,0|2,0,0]=4 78 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,2,0,0,0,0|1,0,1]=4 79 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [0,2,0,0,0,0|1,0,1]=4 81 B8R1.72 C[N+]1([O-])CCOCC1 HY-Y1101B [0,2,0,0,0,0|0,0,1]=3 82 B8R1.72 FC1(F)CCNCC1 HY-W001440 [0,2,0,0,0,0|1,0,0]=3 83 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,0,1,1,0,0|1,0,0]=3 84 B6R1.6 OCC1CNC1 HY-21336 [0,0,1,1,0,0|2,0,0]=4 85 B6R1.6 OCC1COC1 HY-W004925 [0,0,1,1,0,0|2,0,0]=4 86 B4R1.1 C1CNC1 HY-W010628 [0,0,0,0,2,0|0,0,0]=2