0 B28R4.40926915 O=C(CCCCC1CCSS1)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-5911664670 [0,0,0,0,0,0|0,0,0]=0 1 B28R4.40926915 O=C(CCCC[C@@H]1CCSS1)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-5978820188 [0,0,0,0,0,0|0,0,0]=0 2 B28R4.40926915 O=C(CCCC[C@H]1CCSS1)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-5978838770 [0,0,0,0,0,0|0,0,0]=0 3 B28R4.40926915 O=C(CCCCc1cccs1)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-5887408255 [0,0,0,0,0,0|1,0,3]=4 4 B27R3.48270016 C#CCCCCCCCC(=O)NC1CCCc2c1[nH]c3c2cccc3 AIFCHEM-5888066801 [0,0,1,0,0,0|2,0,0]=3 5 B27R3.48270016 CCCCCCCCCC(=O)NC1CCCc2c1[nH]c3c2cccc3 AIFCHEM-5887766664 [0,0,1,0,0,0|2,0,0]=3 6 B29R5.335758349 O=C(NC1CCCc2c1[nH]c3c2cccc3)[C@@H]4CCN4C5CCCC5 AIFCHEM-95969510204 [0,0,0,1,0,0|3,0,0]=4 7 B29R4.6502642 O=C(CCCCC1CCCCC1)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-5911919128 [0,0,0,0,0,1|2,0,0]=3 8 B26R3.12351932 CCCCCCCCC(=O)NC1CCCc2c1[nH]c3c2cccc3 AIFCHEM-5912399489 [1,0,1,0,0,0|1,0,0]=3 9 B28R3.93590723 C#CCCCCCCCCC(=O)NC1CCCc2c1[nH]c3c2cccc3 AIFCHEM-5911747433 [0,1,1,0,0,0|2,0,0]=4 10 B28R3.93590723 CCCCCCCCCCC(=O)NC1CCCc2c1[nH]c3c2cccc3 AIFCHEM-5970254926 [0,1,1,0,0,0|2,0,0]=4 11 B28R3.93590723 CCCCCCCCOCC(=O)NC1CCCc2c1[nH]c3c2cccc3 AIFCHEM-5978791549 [0,1,1,0,0,0|2,0,0]=4 12 B30R4.250917498 CN(CCCC(=O)NC1CCCc2c1[nH]c3c2cccc3)CC4CCCC4 AIFCHEM-95969685400 [0,1,0,0,0,1|2,0,0]=4 13 B30R4.250917498 CN(CCCC(=O)NC1CCCc2c1[nH]c3c2cccc3)CC4CCOC4 AIFCHEM-5473946888 [0,1,0,0,0,1|1,1,0]=4 14 B30R4.105800307 CCN(C(=O)CCCCC1CCSS1)C2CCCc3c2[nH]c4c3cccc4 AIFCHEM-95924513802 [0,2,0,0,0,0|0,0,0]=2 15 B28R4.212542761 O=C(CCCCC1CCSS1)NC2CCc3[nH]c4ccccc4c3C2 AIFCHEM-5663952759 [0,0,1,1,0,0|0,0,2]=4 16 B28R4.212542761 O=C(CCCCC1CCSS1)N[C@@H]2CCc3[nH]c4ccccc4c3C2 AIFCHEM-5734085837 [0,0,1,1,0,0|0,0,2]=4 17 B28R4.212542761 O=C(CCCCC1CCSS1)N[C@H]2CCc3[nH]c4ccccc4c3C2 AIFCHEM-5775221580 [0,0,1,1,0,0|0,0,2]=4 18 B28R4.212542761 O=C(CCCC[C@@H]1CCSS1)NC2CCc3[nH]c4ccccc4c3C2 AIFCHEM-94545759803 [0,0,1,1,0,0|0,0,2]=4 19 B28R4.212542761 O=C(CCCC[C@@H]1CCSS1)N[C@@H]2CCc3[nH]c4ccccc4c3C2 AIFCHEM-5708994571 [0,0,1,1,0,0|0,0,2]=4 20 B28R4.212542761 O=C(CCCC[C@@H]1CCSS1)N[C@H]2CCc3[nH]c4ccccc4c3C2 AIFCHEM-94545750943 [0,0,1,1,0,0|0,0,2]=4 21 B28R4.212542761 O=C(CCCC[C@H]1CCSS1)NC2CCc3[nH]c4ccccc4c3C2 AIFCHEM-5594703594 [0,0,1,1,0,0|0,0,2]=4 22 B28R4.212542761 O=C(CCCC[C@H]1CCSS1)N[C@@H]2CCc3[nH]c4ccccc4c3C2 AIFCHEM-5700551576 [0,0,1,1,0,0|0,0,2]=4 23 B28R4.212542761 O=C(CCCC[C@H]1CCSS1)N[C@H]2CCc3[nH]c4ccccc4c3C2 AIFCHEM-5775273570 [0,0,1,1,0,0|0,0,2]=4 24 B28R4.78012 CCC1CCC(CC1)CC(=O)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-5887930107 [0,0,1,1,0,0|2,0,0]=4 25 B28R4.2136451 CCN1CCCCC1CC(=O)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-95969693433 [0,0,1,1,0,0|2,0,0]=4 26 B28R4.2262774 CCN1CCCC1CCC(=O)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-95969622025 [0,0,1,1,0,0|2,0,0]=4 27 B28R4.9148810 CSCCCN1CCC1C(=O)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-95969729484 [0,0,1,1,0,0|2,0,0]=4 28 B28R4.9148810 CSCCCN1CC[C@@H]1C(=O)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-95969641484 [0,0,1,1,0,0|2,0,0]=4 29 B28R4.9148810 CSCCCN1CC[C@H]1C(=O)NC2CCCc3c2[nH]c4c3cccc4 AIFCHEM-95969539709 [0,0,1,1,0,0|2,0,0]=4 30 B28R5.89638315 O=C(NC1CCCc2c1[nH]c3c2cccc3)[C@@H]4CCN4C5CCC5 AIFCHEM-95969620957 [0,0,0,1,1,0|2,0,0]=4 31 B28R5.89638315 O=C(NC1CCCc2c1[nH]c3c2cccc3)[C@H]4CCN4C5CCC5 AIFCHEM-95969519111 [0,0,0,1,1,0|2,0,0]=4 32 B30R5.375701769 O=C(NC1CCCc2c1[nH]c3c2cccc3)C4CCCC5C4CCCC5 AIFCHEM-5887207341 [0,0,0,1,0,1|2,0,0]=4 33 B30R5.375701781 O=C(NC1CCCc2c1[nH]c3c2cccc3)[C@@H]4CCCN4C5CCCC5 AIFCHEM-95969679543 [0,0,0,1,0,1|2,0,0]=4 34 B30R5.375701781 O=C(NC1CCCc2c1[nH]c3c2cccc3)[C@@H]4CCCN4C5CCOC5 AIFCHEM-95969602517 [0,0,0,1,0,1|1,1,0]=4 35 B26R3.3541814 CCCn1c(nc2c1cccc2)NC(=O)CCCCC3CCSS3 AIFCHEM-6272727287 [0,0,1,0,1,0|1,0,1]=4 36 B26R3.3541814 CCCn1c(nc2c1cccc2)NC(=O)CCCC[C@@H]3CCSS3 AIFCHEM-6219959071 [0,0,1,0,1,0|1,0,1]=4 37 B26R3.3541814 CCCn1c(nc2c1cccc2)NC(=O)CCCC[C@H]3CCSS3 AIFCHEM-6242468172 [0,0,1,0,1,0|1,0,1]=4