0 B16R1.610 CN(C)CCCNC(=O)NC1CCCCC1 MCULE-6565065977 [0,0,0,0,0,0|3,0,0]=3 1 B16R1.610 CN(C)CCCNC(=S)NC1CCCCC1 MCULE-4717462547 [0,0,0,0,0,0|3,1,0]=4 2 B16R1.610 O=C(O)CCCCC(=O)NC1CCCCC1 MCULE-6487657250 [0,0,0,0,0,0|1,0,0]=1 3 B16R1.610 O=C(O)CCCCC(=O)NC1CCOCC1 MCULE-4324626738 [0,0,0,0,0,0|2,0,0]=2 4 B16R1.610 O=C(O)CCCNC(=O)NC1CCCCC1 MCULE-1918218076 [0,0,0,0,0,0|0,0,0]=0 5 B16R1.610 O=C(O)CCCNC(=S)NC1CCCCC1 MCULE-9951713196 [0,0,0,0,0,0|0,1,0]=1 6 B15R1.83 COCCCNC(=O)NC1CCCCC1 MCULE-3360496730 [1,0,0,0,0,0|2,0,0]=3 7 B15R1.83 COCCCNC(=S)NC1CCCCC1 MCULE-8640749823 [1,0,0,0,0,0|2,1,0]=4 8 B15R0.129 CCCCCCCC(=O)NCCCC(=O)O MCULE-5369086350 [0,0,1,0,0,0|1,0,0]=2 9 B15R0.129 CCCCCCNC(=O)NCCCC(=O)O MCULE-6413693719 [0,0,1,0,0,0|0,0,0]=1 10 B17R2.3229 O=C1CC(CN1)NC(=O)NC2CCCCC2 MCULE-9422618141 [0,0,0,1,0,0|2,0,0]=3 11 B17R2.3229 O=C1CSC(=N1)NC(=O)NC2CCCCC2 MCULE-1928291926 [0,0,0,1,0,0|2,0,1]=4 12 B17R2.5273 C=C1CCCN(C1)C(=O)NC2CCOCC2 MCULE-1893644095 [0,0,0,1,0,0|3,0,0]=4 13 B17R2.5273 CC1CCCN(C1)C(=O)NC2CCCCC2 MCULE-6544684629 [0,0,0,1,0,0|2,0,1]=4 14 B17R2.5273 O=C1CN(CCN1)C(=O)NC2CCCCC2 MCULE-3087516481 [0,0,0,1,0,0|2,0,0]=3 15 B15R1.497 CC(=O)NCCSC(=O)C1CCCCC1 MCULE-4142529890 [0,0,0,0,1,0|3,0,0]=4 16 B15R1.497 O=C(O)CCCCC(=O)C1CCCCC1 MCULE-1766913999 [0,0,0,0,1,0|1,0,0]=2 17 B15R1.497 O=C(O)CCCNC(=O)C1CC=CCC1 MCULE-9765977600 [0,0,0,0,1,0|0,0,2]=3 18 B15R1.507 O=C(O)CCCCC(=O)NC1CCOC1 MCULE-6448909606 [0,0,0,0,1,0|2,0,0]=3 19 B15R1.1081 CN(C)CCNC(=O)NC1CCCCC1 MCULE-1524257715 [0,0,0,0,1,0|3,0,0]=4 20 B15R1.1081 O=C(O)CCCC(=O)NC1CCCCC1 MCULE-8900158216 [0,0,0,0,1,0|0,0,0]=1 21 B15R1.1081 O=C(O)CCCC(=O)NC1CCOCC1 MCULE-8300777623 [0,0,0,0,1,0|1,0,0]=2 22 B15R1.1081 O=C(O)CCNC(=O)NC1CCCCC1 MCULE-7264919171 [0,0,0,0,1,0|0,0,0]=1 23 B15R1.1081 O=C(O)COCC(=O)NC1CCCCC1 MCULE-2357959457 [0,0,0,0,1,0|1,0,0]=2 24 B17R1.103001 O=C(O)CCCNC(=O)CN1CCCCCC1 MCULE-7541906932 [0,0,0,0,0,1|2,0,0]=3 25 B14R1.158 CCCCNC(=O)NC1CCCCC1 MCULE-8005892160 [2,0,0,0,0,0|0,0,1]=3 26 B14R1.158 CCCCNC(=O)NC1CCNCC1 MCULE-1710443785 [2,0,0,0,0,0|1,0,1]=4 27 B14R1.158 CCCCNC(=S)NC1CCCCC1 MCULE-7534091075 [2,0,0,0,0,0|0,1,1]=4 28 B14R1.158 CCCCOC(=O)NC1CCCCC1 MCULE-1462947931 [2,0,0,0,0,0|1,0,1]=4 29 B14R1.158 COCCNC(=O)NC1CCCCC1 MCULE-2449575522 [2,0,0,0,0,0|1,0,1]=4 30 B14R1.158 O=C(NCCCO)NC1CCCCC1 MCULE-4907075210 [2,0,0,0,0,0|0,0,0]=2 31 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O MCULE-8026963437 [0,1,1,0,0,0|2,0,0]=4 32 B16R1.54 CC1CCC(CC1)NC(=O)CCCCCO MCULE-1122503728 [1,1,0,0,0,0|1,0,1]=4 33 B16R1.1277 O=C(O)CCCCS(=O)(=O)C1CCCCC1 MCULE-3769427693 [0,1,0,0,1,0|2,0,0]=4 34 B16R1.1067 CN1CCC(CC1)NC(=O)CSCC(=O)O MCULE-5001090538 [0,1,0,0,1,0|2,0,0]=4 35 B16R1.1067 CN1CCN(CC1)NC(=O)CCCC(=O)O MCULE-2964892045 [0,1,0,0,1,0|2,0,0]=4 36 B16R1.4132 CC(CCC(=O)NC1CCCCC1)C(=O)O MCULE-6593288660 [0,1,0,0,1,0|0,0,0]=2 37 B16R1.4132 NC(CCC(=O)OC1CCCCC1)C(=O)O MCULE-4603822379 [0,1,0,0,1,0|1,0,0]=3 38 B16R1.4132 N[C@@H](CCC(=O)OC1CCCCC1)C(=O)O MCULE-1025259065 [0,1,0,0,1,0|1,0,0]=3 39 B16R1.4132 N[C@@H](CCC(=O)OC1CCCCC1)C(=O)O MCULE-4898547067 [0,1,0,0,1,0|1,0,0]=3 40 B16R1.6940 CC(CC(=O)O)CC(=O)NC1CCCCC1 MCULE-6372629072 [0,1,0,0,1,0|0,0,0]=2 41 B16R1.12285 O=C(O)CCCS(=O)(=O)NC1CCNCC1 MCULE-6266497095 [0,1,0,0,1,0|2,0,0]=4 42 B16R1.12285 O=C(O)CCCS(=O)(=O)NC1CCNCC1 MCULE-8302653385 [0,1,0,0,1,0|2,0,0]=4 43 B16R1.59031 O=C(NCCS(=O)(=O)O)NC1CCCCC1 MCULE-1716723868 [0,1,0,0,1,0|1,0,0]=3 44 B18R1.21059 CC(=CCCC(C)NC(=O)NC1CCCCC1)C MCULE-1728275707 [0,1,0,0,0,1|2,0,0]=4 45 B18R1.125629 CN1CCCN(CC1)CC(=O)NCCCC(=O)O MCULE-6340839156 [0,1,0,0,0,1|2,0,0]=4 46 B18R1.125629 CN1CCCN(CC1)CC(=O)NCCCC(=O)O MCULE-9219045743 [0,1,0,0,0,1|2,0,0]=4 47 B16R1.11022 O=C1CCCCC(=O)NCCCCCCN1 MCULE-5122734296 [0,0,1,1,0,0|2,0,0]=4 48 B16R1.11022 O=C1CCCCC(=O)OCCCCCCO1 MCULE-1198992324 [0,0,1,1,0,0|2,0,0]=4 49 B16R2.88 O=C(NC1CCCCC1)N2CC=CCC2 MCULE-9789943487 [1,0,0,1,0,0|1,0,1]=4 50 B16R2.88 O=C(NC1CCCCC1)N2CCCCC2 MCULE-1230746695 [1,0,0,1,0,0|1,0,1]=4 51 B16R2.524 O=C(NC1CCCCC1)NC2CCCC2 MCULE-4909992252 [1,0,0,1,0,0|1,0,1]=4 52 B16R2.3005 O=C1CCCN1C(=O)CN2CCCCC2 MCULE-3855551119 [1,0,0,1,0,0|2,0,0]=4 53 B16R2.3005 O=C1CCCN1C(=O)CN2CCCCC2 MCULE-5184846661 [1,0,0,1,0,0|2,0,0]=4 54 B16R2.3005 O=C1NCCN1C(=O)NC2CCCCC2 MCULE-6955070303 [1,0,0,1,0,0|1,0,0]=3 55 B16R2.464 O=C(O)C1CCCC1NC2CCCCC2 MCULE-5533789975 [1,0,0,1,0,0|1,0,1]=4 56 B16R2.243 O=C1CN(CCN1)C(=O)NC2CCCC2 MCULE-2283545139 [0,0,0,1,1,0|2,0,0]=4 57 B16R2.5973 NC(=O)C1CCC(=O)N1C2CCNCC2 MCULE-3172241342 [0,0,0,1,1,0|2,0,0]=4 58 B16R2.5973 NC(=O)C1CCC(=O)N1C2CCNCC2 MCULE-6279345287 [0,0,0,1,1,0|2,0,0]=4 59 B18R2.7164 O=C(O)C1CCCN1C(=O)NC2CCCCC2 MCULE-6262664314 [0,0,0,1,0,1|0,0,0]=2 60 B18R2.7164 O=C(O)C1CSCN1C(=O)NC2CCCCC2 MCULE-7684133427 [0,0,0,1,0,1|0,0,0]=2 61 B18R2.523480 O=C1CN(CCN1)C(=O)NC2CCCCCC2 MCULE-8596595690 [0,0,0,1,0,1|2,0,0]=4 62 B18R3.185 O=C1NC2NC(=O)N(C2N1)C3CCCCC3 MCULE-2809941034 [0,0,0,2,0,0|2,0,0]=4 63 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [0,0,1,0,1,0|1,0,0]=3 64 B14R0.2 CCCCCCCC(=O)NCCC(=O)O MCULE-8282090533 [0,0,1,0,1,0|1,0,0]=3 65 B14R0.2 CCCCCCCC(=O)NCCC(=O)[O-] MCULE-3856683125 [0,0,1,0,1,0|1,0,1]=4 66 B14R0.2 CCCCCCNC(=O)NCCC(=O)O MCULE-1746164538 [0,0,1,0,1,0|0,0,0]=2 67 B14R1.38 NCCCCNC(=O)C1CCCCC1 MCULE-6142044412 [1,0,0,0,1,0|1,0,1]=4 68 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [1,0,0,0,1,0|1,0,1]=4 69 B14R1.418 O=C(O)CCCCC(=O)C1CCCC1 MCULE-3005745030 [0,0,0,0,2,0|1,0,0]=3 70 B14R1.420 O=C(O)CCCC(=O)C1CCCCC1 MCULE-2351809970 [0,0,0,0,2,0|0,0,0]=2 71 B14R1.420 O=C(O)CCCC(=O)N1CCCCC1 MCULE-3828471263 [0,0,0,0,2,0|1,0,0]=3 72 B14R1.420 O=C(O)CCCC(=O)N1CCNCC1 MCULE-2912647689 [0,0,0,0,2,0|2,0,0]=4 73 B14R1.420 O=C(O)CCCC(=O)N1CCNCC1 MCULE-9290317207 [0,0,0,0,2,0|2,0,0]=4 74 B14R1.420 O=C(O)CCCC(=O)N1CCOCC1 MCULE-1893465983 [0,0,0,0,2,0|2,0,0]=4 75 B14R1.420 O=C(O)CCNC(=O)C1CCCCC1 MCULE-6454839495 [0,0,0,0,2,0|0,0,0]=2 76 B14R1.420 O=C(O)CCNC(=O)C1CCOCC1 MCULE-4192648222 [0,0,0,0,2,0|1,0,0]=3 77 B14R1.420 O=C(O)COCC(=O)N1CCCCC1 MCULE-9575939475 [0,0,0,0,2,0|2,0,0]=4 78 B14R1.420 O=C(O)CSCC(=O)N1CCCCC1 MCULE-2625108216 [0,0,0,0,2,0|2,0,0]=4 79 B14R1.810 O=C(O)CCCC(=O)NC1CCCC1 MCULE-1782839231 [0,0,0,0,2,0|0,0,0]=2 80 B14R1.423 NC(=O)NNC(=O)NC1CCCCC1 MCULE-1105576406 [0,0,0,0,2,0|2,0,0]=4 81 B14R1.423 O=C(O)/C=C/C(=O)NC1CCCCC1 MCULE-1418941512 [0,0,0,0,2,0|0,0,2]=4 82 B14R1.423 O=C(O)C=CC(=O)NC1CCCCC1 MCULE-7753794014 [0,0,0,0,2,0|0,0,2]=4 83 B14R1.423 O=C(O)CCC(=O)NC1CCCCC1 MCULE-5245682994 [0,0,0,0,2,0|0,0,0]=2 84 B14R1.423 O=C(O)CCC(=O)NC1CCOCC1 MCULE-6043752545 [0,0,0,0,2,0|1,0,0]=3 85 B14R1.423 O=C(O)CCC(=O)NN1CCOCC1 MCULE-1011285608 [0,0,0,0,2,0|2,0,0]=4 86 B14R1.423 O=C(O)CCC(=O)OC1CCCCC1 MCULE-3232226766 [0,0,0,0,2,0|1,0,0]=3 87 B14R1.423 O=C(O)CNC(=O)CC1CCCCC1 MCULE-6241886212 [0,0,0,0,2,0|1,0,0]=3 88 B14R1.423 O=C(O)CNC(=O)NC1CCCCC1 MCULE-8014113453 [0,0,0,0,2,0|0,0,0]=2 89 B16R1.58008 O=C(O)CCCC(=O)NC1CCCCCC1 MCULE-3433819524 [0,0,0,0,1,1|0,0,0]=2 90 B18R1.10619 O=C(O)CCCCCNC(=O)NC1CCCCC1 MCULE-4614457618 [0,0,0,0,0,2|0,0,0]=2 91 B18R1.174360 O=C(O)CCCNC(=O)CN1CCCCCCC1 MCULE-8610353762 [0,0,0,0,0,2|2,0,0]=4