0 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,0,0,0,0,0|2,1,0]=3 2 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.15 CCC(CC)C(C)N Z728804288 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,0,0,0,0,0|2,2,0]=4 5 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,0,0,0,0,0|2,2,0]=4 6 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,0,0,0,0,0|2,2,0]=4 7 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,0,0,0,0,0|2,2,0]=4 8 B7R0.15 CCN(CC)C(=N)C Z56757228 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.15 CCN(CC)C(=S)N Z55928942 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.15 CCN(CC)C(=S)[S-] Z1522566622 [0,0,0,0,0,0|0,0,1]=1 11 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,0,0,0,0,0|3,1,0]=4 12 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,0,0,0,0,0|2,1,0]=3 13 B6R0.3 CCC(C)C(=N)N Z823287482 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,0,0,0,0|2,1,0]=4 15 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,0,0,0,0|1,2,0]=4 16 B6R0.3 CCN(C)C(=N)N Z1718490393 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,0,0,0,0|1,2,0]=4 18 B6R0.9 CCC(CC)NC Z1262254286 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.9 CCN(CC)CC Z137796018 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.9 CCN(CC)N=O Z1255485632 [1,0,0,0,0,0|1,1,0]=3 21 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,1,0,0,0,0|1,2,0]=4 22 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,1,0,0,0,0|1,2,0]=4 23 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,1,0,0,0,0|1,2,0]=4 24 B8R0.20 CCN(CC)C(=O)CN Z54747470 [0,1,0,0,0,0|1,1,0]=3 25 B8R0.26 CCN(CC)S(=O)(=O)Cl Z166630184 [0,1,0,0,0,0|1,2,0]=4 26 B8R0.26 CCN(CC)S(=O)(=O)N Z300108382 [0,1,0,0,0,0|1,2,0]=4 27 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,1,0,0,0,0|2,1,0]=4 28 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,1,0,0|2,1,0]=4 29 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.7 N=C(N)N1CCCC1 Z161313378 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,1,0,0|2,1,0]=4 32 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,1,0,0|1,1,0]=3 33 B8R1.7 NC(=S)N1CCCC1 Z55928944 [0,0,0,1,0,0|1,0,0]=2 34 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,1,0,0|1,2,0]=4 35 B8R1.7 S=C(S)N1CCCC1 Z56946833 [0,0,0,1,0,0|0,0,0]=1 36 B8R1.11 CCC1CCCC1=O Z813018310 [0,0,0,1,0,0|2,1,0]=4 37 B8R1.11 CCC1CCNC1=O Z1203732458 [0,0,0,1,0,0|2,1,0]=4 38 B8R1.11 CCN1C=CN=C1S Z220434788 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.11 CCN1C=NN=C1S Z99599580 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.11 CCN1CCCC1=O Z1255438420 [0,0,0,1,0,0|1,1,0]=3 41 B8R1.11 CCN1CCNC1=O Z1179328150 [0,0,0,1,0,0|1,1,0]=3 42 B8R1.11 CCN1N=NN=C1S Z118308210 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.11 O=C1CCCN1CO Z56755633 [0,0,0,1,0,0|2,1,0]=4 44 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,0,1,0,0|1,2,0]=4 45 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,0,0,0,0,1|1,2,0]=4 46 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,0,0,0,0,1|1,2,0]=4 47 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,0,0,0,0,1|0,2,0]=3 48 B5R0.1 CCNC(=N)N Z2574931373 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.3 C=C(CC)CN Z2238934536 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 CCC(=O)CC Z104476878 [2,0,0,0,0,0|1,1,0]=4 51 B5R0.3 CCN(C)C=O Z1258520870 [2,0,0,0,0,0|0,1,0]=3 52 B5R0.3 CCN(C)N=O Z1198147516 [2,0,0,0,0,0|1,1,0]=4 53 B5R0.5 CC(=N)N(C)C Z1428159819 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.5 CN(C)C(=N)N Z1839480548 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.5 CN(C)C(=S)N Z56347524 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.10 CCN(C)C(=O)CN Z409025350 [1,1,0,0,0,0|1,1,0]=4 57 B7R0.10 CCN(C)C(=O)NC Z1042069854 [1,1,0,0,0,0|1,1,0]=4 58 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.12 CCN(CC)CC#N Z56968509 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.12 CCN(CC)CCN Z104472254 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.13 CCN(CCC#N)C(=O)C Z827639600 [0,2,0,0,0,0|1,1,0]=4 62 B9R0.15 CC(=O)N(CCO)CCO Z797582614 [0,2,0,0,0,0|1,1,0]=4 63 B9R0.15 NC(=O)N(CCO)CCO Z797584932 [0,2,0,0,0,0|1,1,0]=4 64 B9R0.37 CCN(CC)C(=O)CC#N Z56944504 [0,2,0,0,0,0|1,1,0]=4 65 B9R0.37 CCN(CC)C(=O)CCN Z1449750808 [0,2,0,0,0,0|1,1,0]=4 66 B9R0.37 CCN(CC)C(=O)CNC Z56347540 [0,2,0,0,0,0|1,1,0]=4 67 B9R0.37 CCSC(=O)N(CC)CC Z1198149397 [0,2,0,0,0,0|0,1,0]=3 68 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,1,0,0|1,1,0]=4 69 B7R1.4 CN1CCNC1=O Z336079928 [1,0,0,1,0,0|1,1,0]=4 70 B7R1.4 CN1CCSC1=N Z3242405392 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,1,0,0|1,1,0]=4 72 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,1,0,0|0,1,0]=3 73 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [1,0,0,1,0,0|1,1,0]=4 74 B7R1.29 CCC1(CC1)C=O Z1511776317 [1,0,0,1,0,0|1,1,0]=4 75 B9R1.13 N=C(N)CN1CCCC1 Z744754604 [0,0,0,1,0,1|2,0,0]=4 76 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [0,0,0,1,0,1|1,1,0]=4 77 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,0,0,1,0,1|0,2,0]=4 78 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,0,0,1,0,1|0,2,0]=4 79 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,1,0,1,0,0|1,1,0]=4 80 B9R1.6 N=C(N)N1CCCCC1 Z1582263025 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.6 N=C(N)N1CCNCC1 Z169852172 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.6 N=C(N)N1CCOCC1 Z57816018 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.6 N=C(N)N1CCSCC1 Z3318709786 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,1,0,1,0,0|1,1,0]=4 85 B9R1.6 NC(=O)N1CCNCC1 Z1473962055 [0,1,0,1,0,0|1,1,0]=4 86 B9R1.6 NC(=S)N1CCCCC1 Z56899022 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.6 NC(=S)N1CCOCC1 Z56943449 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.15 CCN1CCCNC1=O Z1203733831 [0,1,0,1,0,0|1,1,0]=4 89 B9R1.15 CCN1CCNCC1=O Z975809904 [0,1,0,1,0,0|1,1,0]=4 90 B9R1.33 NCCN1CCNC1=O Z285171810 [0,1,0,1,0,0|1,1,0]=4 91 B9R1.33 O=C1CCCN1CCO Z104478410 [0,1,0,1,0,0|1,1,0]=4 92 B9R1.33 O=C1NCCN1CCO Z111875094 [0,1,0,1,0,0|1,1,0]=4 93 B9R1.33 O=C1OCCN1CCO Z425795034 [0,1,0,1,0,0|0,2,0]=4 94 B9R1.35 CC(=O)N1CCC(C1)I Z1486011417 [0,1,0,1,0,0|1,1,0]=4 95 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [0,1,0,1,0,0|1,1,0]=4 96 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,1,0,1,0,0|1,1,0]=4 97 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [0,1,0,1,0,0|1,1,0]=4 98 B9R1.35 NC(=O)N1CCC(C1)N Z1342879018 [0,1,0,1,0,0|1,1,0]=4 99 B9R1.41 CC(=O)N1CCNC1=S Z56755947 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.11 C=CC(=O)N1CCCC1 Z440633532 [0,1,0,1,0,0|1,1,0]=4 101 B9R1.11 NCC(=O)N1CCCC1 Z1449745390 [0,1,0,1,0,0|1,1,0]=4 102 B9R1.11 O=C(CCl)N1CCCC1 Z56896279 [0,1,0,1,0,0|1,1,0]=4 103 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,1,0,0|0,2,0]=4 104 B9R2.3 C1CN2CCNC2=N1 Z3013893077 [0,0,0,2,0,0|2,0,0]=4 105 B7R0.2 CCC(C)NC(=S)N Z56907642 [1,0,0,0,0,1|2,0,0]=4 106 B7R0.2 CCN(C)CC(=O)O Z1459897022 [1,0,0,0,0,1|0,2,0]=4 107 B9R0.43 CCN(CC)CCC(=O)O Z1259161971 [0,0,0,0,0,2|0,2,0]=4