0 B15R1.22765 CC1NC(=O)NC1CCCCCC(=O)O MCULE-9561288488 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O MCULE-2079168323 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O MCULE-5450329749 [0,0,0,0,0,0|0,0,0]=0 3 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O MCULE-7494442270 [0,0,0,0,0,0|0,0,0]=0 4 B16R1.16979 COC(=O)CCCCCC1NC(=O)NC1C MCULE-2919364138 [0,1,0,0,0,0|0,0,0]=1 5 B16R1.38540 CC(CCCC[C@@H]1NC(=O)N[C@@H]1C)C(=O)O MCULE-5843811289 [0,1,0,0,0,0|0,0,0]=1 6 B16R1.38853 CC1=C(NC(=O)N1)C(=O)CCCCC(=O)O MCULE-7853743205 [0,1,0,0,0,0|0,0,3]=4 7 B14R0.427 O=C(O)CCCCCCC(O)CC(=O)O MCULE-3584480331 [0,0,1,0,0,0|3,0,0]=4 8 B14R0.432 CCOC(=O)CCCCCCCC(=O)C MCULE-8382585898 [0,0,1,0,0,0|3,0,0]=4 9 B14R1.4379 CC1NC(=O)NC1CCCCC(=O)O MCULE-3287125752 [0,0,0,0,1,0|0,0,0]=1 10 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [1,0,1,0,0,0|2,0,0]=4 11 B13R0.179 NC(=O)CCCCCCCCC(=O)N MCULE-4459267910 [1,0,1,0,0,0|2,0,0]=4 12 B13R0.179 NC(=O)CCCCCCCCC(=O)O MCULE-3812988206 [1,0,1,0,0,0|1,0,0]=3 13 B13R0.179 NC(=O)CCCCCCCCC(=O)[O-] MCULE-9835231552 [1,0,1,0,0,0|1,0,1]=4 14 B13R0.179 NC(=O)NCCCCCCNC(=O)N MCULE-8880584847 [1,0,1,0,0,0|2,0,0]=4 15 B13R0.179 O=C(O)CCCCCCCCC(=O)O MCULE-3460494679 [1,0,1,0,0,0|2,0,0]=4 16 B13R0.202 COC(=O)CCCCCCCC(=O)O MCULE-2825137842 [1,0,1,0,0,0|2,0,0]=4 17 B15R0.210 C=CCOC(=O)NCCCCCCC(=O)O MCULE-3270403426 [0,1,1,0,0,0|1,0,1]=4 18 B15R0.226 CC(C)NC(=O)NCCCCCCS(=O)C MCULE-8405414625 [0,1,1,0,0,0|2,0,0]=4 19 B17R1.17389 CCCC1NC(=O)NC1CCCCCC(=O)O MCULE-8019537655 [0,2,0,0,0,0|0,0,0]=2 20 B15R1.119 O=C(O)CCCCCC1CCNC(=O)N1 MCULE-7838251904 [0,0,1,1,0,0|0,0,0]=2 21 B15R1.499 CC(=O)NC1CCC(CC1)OCC(=O)O MCULE-5730779639 [0,0,1,1,0,0|2,0,0]=4 22 B15R1.499 CC(=O)N[C@H]1CC[C@@H](CC1)NCC(=O)O MCULE-3445580990 [0,0,1,1,0,0|2,0,0]=4 23 B15R1.6476 O=C1CCCCCCCC(=O)OCCO1 MCULE-6659312326 [0,0,1,1,0,0|2,0,0]=4 24 B15R2.62673 O=C1CSC2(N1)CCCCC2C(=O)O MCULE-8510371114 [1,0,0,1,0,0|2,0,0]=4 25 B17R2.22759 N=C1N[C@H]2CS[C@H]([C@@H]2N1)CCCCC(=O)O MCULE-8256177408 [0,1,0,1,0,0|1,0,0]=3 26 B17R2.22759 NC1=NC2CSC(C2N1)CCCCC(=O)O MCULE-6422263899 [0,1,0,1,0,0|1,0,1]=4 27 B17R2.22759 O=C(O)C=CCCC1SCC2C1NC(=O)N2 MCULE-5754180975 [0,1,0,1,0,0|0,0,2]=4 28 B17R2.22759 O=C(O)CCCCC1SCC2C1NC(=O)N2 MCULE-6549466078 [0,1,0,1,0,0|0,0,0]=2 29 B17R2.22759 [C@@H]12CS[C@@H]([C@@H]1NC(=O)N2)CCCCC(=O)O MCULE-3981758727 [0,1,0,1,0,0|0,0,0]=2 30 B17R2.22759 [C@H]12NC(=N)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-7114134600 [0,1,0,1,0,0|1,0,0]=3 31 B17R2.22759 [C@H]12NC(=N)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-9008677226 [0,1,0,1,0,0|1,0,0]=3 32 B17R2.22759 [C@H]12NC(=N[C@H]1CS[C@H]2CCCCC(=O)O)N MCULE-2241271142 [0,1,0,1,0,0|1,0,1]=4 33 B17R2.22759 [C@H]12NC(=N[C@H]1CS[C@H]2CCCCC(=O)O)N MCULE-4180770968 [0,1,0,1,0,0|1,0,1]=4 34 B17R2.22759 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-1566561180 [0,1,0,1,0,0|0,0,0]=2 35 B17R2.22759 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-6322715246 [0,1,0,1,0,0|0,0,0]=2 36 B17R2.22759 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-7440963355 [0,1,0,1,0,0|0,0,0]=2 37 B17R2.22759 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-9442973547 [0,1,0,1,0,0|0,0,0]=2 38 B17R3.311846 O=C1NC(=O)C2(N1)CCC3C2C3C(=O)O MCULE-4222343419 [0,0,0,2,0,0|1,0,1]=4 39 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O MCULE-2428773430 [0,0,1,0,0,1|2,0,0]=4