0 B18R1.10619 O=C(O)CCCCCNC(=O)NC1CCCCC1 MCULE-4614457618 [0,0,0,0,0,0|0,0,0]=0 1 B17R0.78 CCCCCCCC(=O)CCCCCCC(=O)O MCULE-7169706634 [0,0,1,0,0,0|2,0,0]=3 2 B17R0.78 CCCCCCCC(=O)NCCCCCC(=O)O MCULE-5659315671 [0,0,1,0,0,0|1,0,0]=2 3 B17R0.78 CCCCCCCC(=O)NCCCCCC(=O)[O-] MCULE-7862819548 [0,0,1,0,0,0|1,0,1]=3 4 B19R2.8825 O=C(NC1CCCCC1)[C@H]2CCCC[C@H]2C(=O)O MCULE-5583576589 [0,0,0,1,0,0|1,0,0]=2 5 B19R2.8825 O=C(O)C1CC=CCC1C(=O)NC2CCCCC2 MCULE-3705238895 [0,0,0,1,0,0|1,0,2]=4 6 B19R2.8825 O=C(O)C1CCCCC1C(=O)NC2CCCCC2 MCULE-3830618568 [0,0,0,1,0,0|1,0,0]=2 7 B19R2.8825 O=C(O)C1CCCCC1C(=O)NN2CCOCC2 MCULE-5711351449 [0,0,0,1,0,0|3,0,0]=4 8 B17R1.679 O=C(O)CCCCCCC(=O)C1CCCCC1 MCULE-3460196722 [0,0,0,0,1,0|1,0,0]=2 9 B16R0.177 CCCCCCC(=O)CCCCCCC(=O)O MCULE-4503353213 [1,0,1,0,0,0|1,0,0]=3 10 B16R0.177 NCCCCCC(=O)NCCCCCC(=O)O MCULE-6126924523 [1,0,1,0,0,0|1,0,0]=3 11 B16R1.693 CCCCCCNC(=O)OC1CCCCC1 MCULE-8011857094 [2,0,0,0,0,0|1,0,1]=4 12 B16R1.693 CCCCCCNC(=S)NC1CCCCC1 MCULE-1277764803 [2,0,0,0,0,0|0,1,1]=4 13 B18R0.94 CCCCCCCCC(=O)CCCCCCC(=O)O MCULE-4094625577 [0,1,1,0,0,0|2,0,0]=4 14 B18R0.94 CCCCCCCCC(=O)NCCCCCC(=O)O MCULE-9192966196 [0,1,1,0,0,0|1,0,0]=3 15 B18R1.4469 NC(CCCCNC(=O)OC1CCCC1)C(=O)O MCULE-8361486120 [0,1,0,0,1,0|1,0,0]=3 16 B18R1.4469 N[C@@H](CCCCNC(=O)OC1CCCC1)C(=O)O MCULE-6084973447 [0,1,0,0,1,0|1,0,0]=3 17 B18R1.4469 N[C@@H](CCCCNC(=O)OC1CCCC1)C(=O)O MCULE-8955315358 [0,1,0,0,1,0|1,0,0]=3 18 B18R1.10573 CCCCCCNC(=O)C1CCCCC1C(=O)O MCULE-7772009037 [0,0,1,1,0,0|1,0,0]=3 19 B18R2.2429 O=C(NCC1CCCCC1)NC2CCCCC2 MCULE-4472467209 [1,0,0,1,0,0|1,0,1]=4 20 B18R2.3047 CCC1CCCCN1C(=O)NC2CCCCC2 MCULE-3399563556 [1,0,0,1,0,0|1,0,1]=4 21 B18R2.3047 O=C(NC1CCCCC1)N2CCCCC2CO MCULE-7640563442 [1,0,0,1,0,0|0,0,1]=3 22 B18R2.3983 CC1CCCCC1NC(=O)NC2CCCCC2 MCULE-1987166444 [1,0,0,1,0,0|1,0,1]=4 23 B18R2.3983 OC1CCCCC1NC(=S)NC2CCCCC2 MCULE-6849445264 [1,0,0,1,0,0|0,1,1]=4 24 B18R2.72590 O=C(NC1CCCCCC1)NC2CCCCC2 MCULE-2345607158 [1,0,0,1,0,0|1,0,1]=4 25 B18R2.7139 NC(=O)C1CNCCN1C(=O)C2CCCCC2 MCULE-1339173950 [0,0,0,1,1,0|2,0,0]=4 26 B18R2.7139 O=C(O)C1CCCCC1C(=O)N2CCCCC2 MCULE-4542328614 [0,0,0,1,1,0|2,0,0]=4 27 B18R2.7139 O=C(O)C1CCCCN1C(=O)C2CCCCC2 MCULE-6271418757 [0,0,0,1,1,0|0,0,0]=2 28 B18R2.7139 O=C(O)C1CCCCN1C(=O)C2CCOCC2 MCULE-3197995696 [0,0,0,1,1,0|1,0,0]=3 29 B18R2.7139 O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N2CCCCC2 MCULE-3590109162 [0,0,0,1,1,0|2,0,0]=4 30 B18R2.7164 O=C(O)C1CCCN1C(=O)NC2CCCCC2 MCULE-6262664314 [0,0,0,1,1,0|0,0,0]=2 31 B18R2.7164 O=C(O)C1CSCN1C(=O)NC2CCCCC2 MCULE-7684133427 [0,0,0,1,1,0|1,0,0]=3 32 B18R2.7149 O=C(O)C1CCCCC1C(=O)NC2CCCC2 MCULE-5087197667 [0,0,0,1,1,0|1,0,0]=3 33 B20R2.10746 O=C(O)C1CCCCC1C(=O)NCC2CCCCC2 MCULE-4847356701 [0,0,0,1,0,1|1,0,0]=3 34 B20R2.770475 O=C(O)C1CCCCC1C(=O)NC2CCCCCC2 MCULE-4662001469 [0,0,0,1,0,1|1,0,0]=3 35 B20R2.74631 CC1CCCCC1NC(=O)C2CCCCC2C(=O)O MCULE-8379851929 [0,1,0,1,0,0|1,0,0]=3 36 B20R2.10736 CN(C(=O)C1CCCCC1C(=O)O)C2CCCCC2 MCULE-6381159832 [0,1,0,1,0,0|1,0,0]=3 37 B20R3.268110 C=C1CC2CCC(C1)N2C(=O)NC3CCCCC3 MCULE-9227696573 [0,0,0,2,0,0|2,0,0]=4 38 B16R1.609 O=C(O)CCCCCC(=O)C1CCCCC1 MCULE-4205663789 [0,0,0,0,2,0|0,0,0]=2 39 B16R1.614 O=C(O)CCCCCCC(=O)C1CCCC1 MCULE-5438762359 [0,0,0,0,2,0|1,0,0]=3 40 B16R1.610 O=C(O)CCCCC(=O)NC1CCCCC1 MCULE-6487657250 [0,0,0,0,2,0|0,0,0]=2 41 B16R1.610 O=C(O)CCCCC(=O)NC1CCOCC1 MCULE-4324626738 [0,0,0,0,2,0|1,0,0]=3 42 B16R1.610 O=C(O)CCCNC(=O)NC1CCCCC1 MCULE-1918218076 [0,0,0,0,2,0|0,0,0]=2 43 B16R1.610 O=C(O)CCCNC(=S)NC1CCCCC1 MCULE-9951713196 [0,0,0,0,2,0|0,1,0]=3 44 B18R0.7250 NCCCCCCC(=O)NCCCCCCC(=O)O MCULE-1141722295 [0,0,1,0,0,1|2,0,0]=4