0 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 CNCCC(=O)N(C)C BBL031686 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 CCCCC(=O)CC BBL011476 [1,0,0,0,0,0|0,0,0]=1 3 B7R0.3 CCCCC(=O)NN BBL027902 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.3 CCOCC(=O)NN BBL023356 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.3 CNC(=O)CCCN BBL022745 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 CNCCC(=O)NC BBL023441 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.3 COC(=O)CCCCl BBL011535 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.3 NNC(=O)CCCO BBL009673 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 CCCCCC(C)=O BBL011381 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.5 C=C(C)C(=O)OCC BBL011403 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.5 CCOC(=O)C(C)=O BBL027737 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 CCOC(=O)C(F)F BBL027798 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.7 C=C(C)C(=O)OCC(C)C BBL010919 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.47 C=C(C)C(=O)OCCCC BBL011464 [0,1,0,0,0,0|0,0,2]=3 16 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.6 CC(C)C1CCCCN1 BBL021290 [0,0,0,1,0,0|1,0,1]=3 18 B9R1.6 CC(N)C1CCCCN1 BBL037755 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.40 CC1(C)NCCNC1=O BBL013287 [0,0,0,1,0,0|2,0,0]=3 20 B9R0.4 CNCCC(=O)NC(C)C BBL031766 [0,0,0,0,0,1|1,0,0]=2 21 B6R0.1 CCOC(=O)CBr BBL027288 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.1 CCOC(=O)CCl BBL012578 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.1 CCOC(=O)CS BBL011508 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.1 CNCC(=O)NC BBL030504 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.1 COC(=O)CCBr BBL027291 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.1 COC(=O)CCN BBL010085 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 CC(=O)CCCCl BBL010617 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.4 CC(=O)NCCN BBL027688 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 CC(C)OCCCl BBL030951 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CCCCC(=O)Cl BBL012216 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.4 CCCCC(C)=O BBL011434 [2,0,0,0,0,0|0,0,0]=2 32 B6R0.4 CN(C)CCCO BBL011401 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 CNCCC(N)=O BBL023425 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 NCCCC(=O)O BBL008590 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.4 O=C(Cl)CCCCl BBL011409 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.6 CCCCCCBr BBL012217 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.6 CCCCCCI BBL011465 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.6 CCCCCCN BBL011106 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.6 CCCNCCC BBL027756 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.6 CCOCCCN BBL027700 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.3 CC(C)C(=O)NN BBL013917 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.3 CNC(=O)C(C)N BBL012983 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.3 COC(=O)C(C)Cl BBL100013 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.1 CCCNC(=O)CC#N BBL016523 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.1 CCOC(=O)CCCCl BBL011514 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.6 CCCCCC(=O)CC BBL011431 [1,1,0,0,0,0|0,0,0]=2 47 B8R0.6 CCCCCC(=O)NN BBL014328 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.6 COCCNC(=O)CN BBL030590 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.9 CC(C)CNC(=O)CN BBL031396 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.9 CC(O)CCC(=O)NN BBL018741 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.9 COC(=O)CCC(C)=O BBL011529 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.11 CCCCC(C=O)CC BBL010642 [1,1,0,0,0,0|0,0,1]=3 53 B8R0.19 CCC(=O)CC(C)CC BBL011426 [1,1,0,0,0,0|0,0,0]=2 54 B8R0.19 CCC(C)NC(=O)CCl BBL003704 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.7 CC(C)CNCCCO BBL030005 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.28 CC(=O)CCC=C(C)C BBL027733 [1,1,0,0,0,0|0,0,2]=4 57 B8R0.28 CC(C)CNCC(C)O BBL030081 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.23 CC(O)CC(O)C(C)C BBL030511 [1,1,0,0,0,0|0,0,2]=4 59 B10R0.6 CCCCNC(=O)CC(C)=O BBL002822 [0,1,0,0,0,1|1,0,1]=4 60 B10R0.96 CC(C)\C=C\C(=O)CC(C)C BBL028261 [0,1,0,0,0,1|0,0,2]=4 61 B10R0.98 CC(C)C(=O)NCCC(=O)O BBL008740 [0,2,0,0,0,0|1,0,1]=4 62 B8R1.2 CCC1CCCCN1 BBL100012 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.3 CC1CCC(N)CC1 BBL036898 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.3 O=C1CCC(=O)CC1 BBL027348 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.5 CC1CCCCC1=O BBL011421 [1,0,0,1,0,0|0,0,0]=2 66 B8R1.5 O=C1CCCCC1Cl BBL011103 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.22 NC1=NCCCCC1 BBL012958 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.22 O=C1CCCCCO1 BBL011394 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.38 NNC(=O)C1CCC1 BBL037010 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.4 CC1CCNC(C)C1 BBL038129 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.7 CC(C)C1CCCN1 BBL020618 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.35 CC(C)NCC1CC1 BBL023213 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.35 CC(C)OCC1CO1 BBL027498 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.28 CC(C)(C)C1CCCCN1 BBL020745 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.13 CC(C)N1CCC(N)CC1 BBL037408 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.25 CC1CCC(C=O)C(C)C1 BBL036805 [0,1,0,1,0,0|0,0,1]=3 77 B10R1.25 CC1CCC(CO)C(C)C1 BBL036309 [0,1,0,1,0,0|0,0,2]=4 78 B10R1.118 CC1CN(C)C(C)CC1=O BBL012984 [0,1,0,1,0,0|1,0,0]=3