0 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.4 CC(=O)CCCC#N A2Z00097349 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CC(=O)NCCC#N A2Z00061540 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CC(=O)NCCCN A2Z00047088 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.4 CC(=O)NCCCO A2Z00061529 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 CC(=O)NCCON A2Z00048058 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.4 CC(C)CCCCN A2Z00049525 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CC(C)CCCNC A2Z00049564 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CSCCCC(=O)O A2Z00070144 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.4 CC(=O)OCC#C A2Z00096305 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.4 CC(=O)OCCBr A2Z00098196 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CC(C)OCCN A2Z00047141 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CCCNC(C)C A2Z00048056 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CN(C)CCCCl A2Z00093595 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 CCCCCCBr A2Z00093564 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CCCCCCI A2Z00093584 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 CCCCCCO A2Z00093499 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.6 COCCCCN A2Z00047139 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 COCCN=C=O A2Z00046536 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.5 CCC\C(=C\C(=O)O)\C A2Z00049558 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.7 CC(=O)NCCCCN A2Z00047089 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.7 CC(=O)NCCCCO A2Z00047993 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.7 CCCCCCC(=O)O A2Z00093531 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.7 CCCNCCC(=O)O A2Z00070008 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.7 CCCNCCC(=O)O A2Z00070304 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.8 CSCCC(C(=O)O)N A2Z00093547 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.21 CS(=O)(=O)NCCCCl A2Z00047995 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.28 CC(=O)NCCC(=O)O A2Z00046392 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.4 CC1CCCC(C1)O A2Z00093510 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.4 CC1CCCC(N1)C A2Z00093508 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.7 C1CNCC1C(=O)O A2Z00096244 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.22 C1CC(=O)CCNC1 A2Z00096298 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.35 C1CC1NCC(=O)N A2Z00049171 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.72 CC1(CNCCO1)C A2Z00047117 [0,0,0,1,0,0|2,0,1]=4 43 B5R0.1 C(CBr)C(=O)N A2Z00070352 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 CC(=O)CCN A2Z00069826 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.1 CCCC(=O)O A2Z00093490 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 CNCC(=O)O A2Z00095987 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 COCC(=O)Cl A2Z00094312 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.2 CCCCCBr A2Z00093550 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.2 CCCCNC A2Z00093457 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.2 CCNCC=C A2Z00070010 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.3 CCCNC(=O)CCl A2Z00038430 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.3 COC(=O)CCCCl A2Z00098035 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.3 COCCC(=O)OC A2Z00094834 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.8 CCCCS(=O)(=O)Cl A2Z00094075 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.53 CC(C)CC(CC(=O)O)O A2Z00049177 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.58 CCCC(C)(CC(=O)O)O A2Z00049563 [0,2,0,0,0,0|2,0,0]=4 63 B9R0.5 COCCNC(=O)CC#N A2Z00080212 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.47 CC(C(=O)NCCCO)Cl A2Z00094388 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.38 COCCCNS(=O)(=O)C A2Z00070443 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.43 CC(=O)NCC(OC)OC A2Z00094393 [0,2,0,0,0,0|2,0,0]=4 67 B7R1.2 C1CC(=O)OC1O A2Z00096558 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [1,0,0,1,0,0|0,0,2]=4 69 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [1,0,0,1,0,0|0,0,2]=4 72 B7R1.3 C1CCC(CC1)N A2Z00093495 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.3 C1COCCC1=O A2Z00096060 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.3 C1CSCCC1=O A2Z00050190 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.6 C1CC(C1)N=C=O A2Z00049542 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.24 C1CCCNCC1 A2Z00093493 [1,0,0,1,0,0|1,0,1]=4 77 B9R1.11 C1CCN(C1)C(=O)CCl A2Z00046081 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.11 COC(=O)C1CCCN1 A2Z00096650 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.11 COC(=O)C1CCNC1 A2Z00096294 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.79 COC(=O)CC1COC1 A2Z00096410 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.88 COC(=O)C1CC1CN A2Z00096461 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN A2Z00096361 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.6 C1CCC(CC1)C(=O)O A2Z00093527 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.6 C1CNCCC1C(=O)O A2Z00093530 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.6 CC(=O)C1CCNCC1 A2Z00096432 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.85 CC(=NOCC1CO1)C A2Z00094577 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.125 CC1(CC(=O)NC1)CO A2Z00050495 [0,1,0,1,0,0|2,0,0]=4 88 B9R2.139 C1CC2(CC2)NC1=O A2Z00050478 [0,0,0,2,0,0|2,0,0]=4