0 B7R1.3 CC1=CC=CN=C1 DB01996 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 IC1=CC=CC=C1 DB02252 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.3 NC1=CC=CC=C1 DB06728 [0,0,0,0,0,0|1,0,3]=4 3 B7R1.3 O=C1CCCCC1 DB02060 [0,0,0,0,0,0|0,0,2]=2 4 B7R1.3 OC1=CC=CC=C1 DB03255 [0,0,0,0,0,0|0,0,4]=4 5 B7R1.3 OC1CCCCC1 DB03703 [0,0,0,0,0,0|0,0,4]=4 6 B7R1.3 SC1=CC=CC=N1 DB03329 [0,0,0,0,0,0|1,1,2]=4 7 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,0,0,0,0,0|1,0,3]=4 8 B6R1.1 C1CCOCC1 DB02412 [1,0,0,0,0,0|1,0,2]=4 9 B8R1.2 O=CN1CCCCC1 DB04113 [0,1,0,0,0,0|1,0,2]=4 10 B8R1.4 C[C@H]1CC=CC(=O)O1 DB14121 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.4 O=C1C=CNC(=O)N1 DB03419 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.4 O=C1CCNC(=O)N1 DB01849 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.1 CCNC(=O)OC DB03919 [0,0,1,0,0,0|2,0,1]=4 14 B6R0.1 CCOC(=O)NC DB02856 [0,0,1,0,0,0|2,0,1]=4 15 B6R0.4 CCCCC(=O)O DB02406 [0,0,1,0,0,0|1,0,1]=3 16 B6R0.4 CCCOC(C)=O DB01670 [0,0,1,0,0,0|1,0,1]=3 17 B6R0.6 O=CCCCC=O DB03266 [0,0,1,0,0,0|1,0,0]=2 18 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,0,1,0|2,0,1]=4 19 B6R1.2 NC1=NCCS1 DB02335 [0,0,0,0,1,0|3,0,0]=4 20 B6R1.2 O=C1CCCO1 DB04699 [0,0,0,0,1,0|1,0,0]=2 21 B5R0.1 C=C(Br)CCO DB04592 [1,0,1,0,0,0|2,0,0]=4 22 B5R0.1 CC(=O)CCO DB04094 [1,0,1,0,0,0|1,0,1]=4 23 B5R0.1 CCCC(=O)O DB03568 [1,0,1,0,0,0|1,0,0]=3 24 B5R0.1 CCCC(N)=O DB02121 [1,0,1,0,0,0|1,0,0]=3 25 B5R0.1 CSCC(=O)[O-] DB03517 [1,0,1,0,0,0|2,0,0]=4 26 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,0,1,0,0,0|2,0,0]=4 27 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,0,1,0,0,0|2,0,0]=4 28 B5R0.1 C\C=C\C(=O)O DB02074 [1,0,1,0,0,0|1,0,0]=3 29 B5R0.1 NCCC(=O)O DB03107 [1,0,1,0,0,0|2,0,0]=4 30 B5R0.1 O=C(O)CCO DB03688 [1,0,1,0,0,0|2,0,0]=4 31 B5R0.2 CCCCC=O DB01919 [1,0,1,0,0,0|0,0,1]=3 32 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,1,1,0,0,0|1,0,1]=4 33 B7R0.4 O=C(O)CCCCO DB04781 [0,1,1,0,0,0|1,0,1]=4 34 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,1,1,0,0,0|1,0,1]=4 35 B7R0.6 CC(C)CCC(=O)O DB03993 [0,1,1,0,0,0|1,0,1]=4 36 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,0,1,0|1,0,0]=3 37 B9R1.6 O=C(O)C1=CCCNC1 DB08848 [0,2,0,0,0,0|1,0,1]=4 38 B9R2.39 [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,1,0,1,0,0|0,0,2]=4 39 B5R1.1 C1=CNN=C1 DB02757 [1,0,0,0,1,0|2,0,0]=4