0 B6R1.2 CC1=CC=NO1 F0001-2561 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 CC1CCNC1 F8887-6193 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 IC1CCCC1 F0001-0550 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 O=C1NCCN1 F0001-0353 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 N#CC1=CCCC1 F9995-1512 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.2 O=C1CCC(=O)C1 F0001-1098 [0,1,0,0,0,0|1,0,1]=3 6 B7R1.2 O=C1CNC(=O)C1 F2147-2476 [0,1,0,0,0,0|1,0,1]=3 7 B7R1.2 O=C1CSC(=S)N1 F0255-0005 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.4 CC1CCCC1=O F9995-1299 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.14 CC1(C)CCCN1 F1905-0628 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.1 COCC(N)=S F8881-7845 [0,0,1,0,0,0|2,1,0]=4 11 B5R0.2 C#CCCCI F8885-4128 [0,0,1,0,0,0|2,0,1]=4 12 B5R0.2 CCCCC#N F0001-0220 [0,0,1,0,0,0|2,0,1]=4 13 B5R0.2 CCCCC=O F2190-0583 [0,0,1,0,0,0|1,0,0]=2 14 B5R0.2 CCCCCO F0001-1831 [0,0,1,0,0,0|1,0,1]=3 15 B5R0.2 CCCCNN F2169-0384 [0,0,1,0,0,0|3,0,0]=4 16 B5R0.2 CCOCCCl F0001-1693 [0,0,1,0,0,0|2,0,1]=4 17 B5R0.2 ICCCCI F0001-1692 [0,0,1,0,0,0|2,0,1]=4 18 B5R0.2 N#CCCCBr F0001-1378 [0,0,1,0,0,0|2,0,1]=4 19 B5R0.3 CNC(=O)CBr F3310-0893 [0,0,1,0,0,0|2,0,0]=3 20 B5R0.3 CNC(=O)CS F8886-4364 [0,0,1,0,0,0|2,0,0]=3 21 B5R0.3 O=C(CO)CO F0001-2767 [0,0,1,0,0,0|3,0,0]=4 22 B5R1.2 FC1CNC1 F2148-2176 [0,0,0,0,1,0|2,0,1]=4 23 B5R1.2 O=C1CSC1 F2147-0949 [0,0,0,0,1,0|1,0,0]=2 24 B7R1.3 C=C1CCNCC1 F8888-3171 [0,0,0,0,0,1|2,0,0]=3 25 B7R1.3 IC1CCCCC1 F2190-0186 [0,0,0,0,0,1|2,0,1]=4 26 B7R1.3 NC1CCOCC1 F0001-1086 [0,0,0,0,0,1|2,0,1]=4 27 B7R1.3 O=C1COCCN1 F8889-4140 [0,0,0,0,0,1|1,0,0]=2 28 B4R0.1 O=CC(=O)O F2191-0150 [1,0,1,0,0,0|1,0,1]=4 29 B4R0.2 CCCCCl F0001-0200 [1,0,1,0,0,0|1,0,1]=4 30 B6R0.1 CCCC(=O)NN F3191-0132 [0,1,1,0,0,0|1,0,0]=3 31 B6R0.2 CC(C)CC(N)=O F1995-0350 [0,1,1,0,0,0|1,0,0]=3 32 B6R0.2 CC(C)OC(C)C F0001-0159 [0,1,1,0,0,0|1,0,1]=4 33 B6R0.3 N[C@@H](CS)C(=O)O F8880-8973 [0,1,1,0,0,0|1,0,0]=3 34 B6R0.4 C#CCCC(=O)O F1913-1832 [0,1,1,0,0,0|0,0,1]=3 35 B6R0.4 CCCCB(O)O F0001-1206 [0,1,1,0,0,0|1,0,1]=4 36 B6R0.4 CSCCC(C)=O F0001-0996 [0,1,1,0,0,0|1,0,0]=3 37 B6R0.4 N#CCCC(=O)O F8884-9159 [0,1,1,0,0,0|0,0,1]=3 38 B6R0.4 NC(=O)NCCO F1019-0075 [0,1,1,0,0,0|2,0,0]=4 39 B6R0.6 CC\C=C\CCO F0001-2233 [0,1,1,0,0,0|1,0,1]=4 40 B6R0.6 OCCCCCO F0001-0238 [0,1,1,0,0,0|0,0,2]=4 41 B6R1.5 NC1CC(=O)C1 F2147-8243 [0,1,0,0,1,0|0,0,0]=2 42 B6R1.6 NNC1CCC1 F2135-1119 [0,1,0,0,1,0|1,0,1]=4 43 B8R1.2 BrCC1CCCCO1 F1909-1580 [0,1,0,0,0,1|1,0,1]=4 44 B8R1.2 CSC1=NCCCN1 F2147-0307 [0,1,0,0,0,1|1,1,0]=4 45 B8R1.2 ON=C1CCCCC1 F1723-0300 [0,1,0,0,0,1|1,0,1]=4 46 B8R1.5 CC1CCCNC1=O F1913-7611 [0,1,0,0,0,1|1,0,0]=3 47 B8R1.72 CC1(C)CNCCO1 F2148-0112 [0,1,0,0,0,1|1,0,1]=4 48 B8R1.72 O=S1(=O)CCCCO1 F0001-0588 [0,1,0,0,0,1|1,0,0]=3 49 B8R1.1 O=C1CC[C@H](CO)N1 F9995-1839 [0,2,0,0,0,0|1,0,0]=3 50 B8R1.11 CCC1CCCC1=O F8889-4518 [0,2,0,0,0,0|1,0,0]=3 51 B8R1.51 CC1(C)CCC(=O)N1 F8884-1328 [0,2,0,0,0,0|1,0,0]=3 52 B6R1.1 C1CCOCC1 F0001-0499 [0,0,1,1,0,0|1,0,1]=4 53 B8R2.25 C1CC2OC2CO1 F8889-2237 [0,0,0,1,0,1|0,0,2]=4 54 B8R1.22 O=C1CCNCCN1 F2158-1556 [0,0,0,0,0,2|1,0,0]=3 55 B8R1.22 O=C1CCNCCN1 F8880-3444 [0,0,0,0,0,2|1,0,0]=3 56 B8R1.22 O=C1CCOCCN1 F8881-7824 [0,0,0,0,0,2|1,0,0]=3 57 B8R1.22 O=C1CCSCCN1 F2147-1376 [0,0,0,0,0,2|1,0,0]=3