0 B13R1.28 OCCCCOCC1=CC=CC=C1 44915 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.44 CCOCC(=O)NC1=CC=CC=C1 3367 [1,0,0,0,0,0|2,0,0]=3 2 B15R2.541 CN1CCNC(=O)C1C2=CC=CC=C2 34176 [0,0,0,1,0,0|2,0,0]=3 3 B15R2.1435 CCCCN1C(C)=CC2=CC=CC=C21 7321 [0,0,0,1,0,0|2,0,1]=4 4 B15R2.1435 O=C1NC2=C(C=CC=C2)N1CCCCl 20700 [0,0,0,1,0,0|3,0,0]=4 5 B15R2.2203 CCCCCC1=CC2=CC=CC=C2C1 5389 [0,0,0,1,0,0|2,0,0]=3 6 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 29302 [0,0,0,0,1,0|0,0,0]=1 7 B15R1.78 O=CCCNC(=O)OCC1=CC=CC=C1 13633 [0,0,0,0,0,1|2,0,1]=4 8 B12R1.8 NCCCCCC1=CC=CC=C1 12508 [2,0,0,0,0,0|1,0,1]=4 9 B12R1.8 O=CCCOCC1=CC=CC=C1 29295 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.8 OCCCCCC1=CC=CC=C1 34219 [2,0,0,0,0,0|1,0,1]=4 11 B12R1.8 OCCCOCC1=CC=CC=C1 20097 [2,0,0,0,0,0|1,0,0]=3 12 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [2,0,0,0,0,0|0,0,0]=2 13 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [2,0,0,0,0,0|1,0,0]=3 15 B12R1.32 CCOC(=O)CC1=NC=CC=N1 18563 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 13915 [2,0,0,0,0,0|2,0,0]=4 19 B14R1.123 CCCCCCCCC1=CC=CC=C1 31903 [1,1,0,0,0,0|1,0,1]=4 20 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 14169 [1,0,0,1,0,0|1,0,1]=4 21 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 6848 [1,0,0,1,0,0|1,0,1]=4 22 B14R2.6 C1=CC=C(C[C@@H]2CNCCO2)C=C1 17554 [1,0,0,1,0,0|1,0,1]=4 23 B14R2.6 C1=CC=C(C[C@@H]2CNCCO2)C=C1 17556 [1,0,0,1,0,0|1,0,1]=4 24 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 17553 [1,0,0,1,0,0|1,0,1]=4 25 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 17555 [1,0,0,1,0,0|1,0,1]=4 26 B14R2.67 CCCCC1=CC2=C(C=CC=C2)O1 35334 [1,0,0,1,0,0|0,0,2]=4 27 B14R2.67 CCCCC1=CC2=CC=CC=C2C1 5387 [1,0,0,1,0,0|1,0,0]=3 28 B16R2.2238 O=C(OCC1=CC=CC=C1)[C@@H]2CCCN2 10947 [0,0,0,1,0,1|2,0,0]=4 29 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 10159 [0,0,0,1,0,1|2,0,0]=4 30 B16R2.2272 CCCCCC1CC2=CC=CC=C2C1=O 5346 [0,1,0,1,0,0|1,0,1]=4 31 B12R1.30 CCCCC(=O)C1=CC=CC=C1 25461 [1,0,0,0,1,0|0,0,0]=2 32 B12R1.30 CNCCC(=O)C1=CC=CC=C1 20705 [1,0,0,0,1,0|1,0,0]=3 33 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 19864 [1,0,0,0,1,0|1,0,0]=3