0 B14R2.4640 CC1(C)CNCC2=C1C=CC(Br)=C2 78940 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.4640 CC1(C)NCCC2=C1C=CC(O)=C2 P12830 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.3122 CC1(C)CCNC2=CC=CN=C21 95781 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.3122 FC1(F)CNCC2=C1C=CC=C2 71341 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 N11394 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 Y11140 [1,0,0,0,0,0|1,0,0]=2 6 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCO2 Y14569 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.5179 C[C@H]1CNCC2=C1C=CC(Br)=C2 P17539 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.5179 C[C@H]1CNCC2=CC(Br)=CN=C21 D82650 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y11524 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y11547 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 Y13738 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 Y13739 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11532 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11552 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.7494 CC1(C)CCC(=O)C2=C1C=CC(Cl)=C2 N15492 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.4183 CC1=CC(C)=C([C@@](C)(N)CO)C=C1 Y14028 [0,0,1,0,0,0|2,0,0]=3 17 B13R2.3108 CC1(C)NCC2=C1C=CC(Br)=C2 P13035 [0,0,0,0,1,0|2,0,0]=3 18 B12R1.126 CC(C)(C)C1=C(Br)C=C(Cl)C=C1 F53247 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.252 CC(C)OCCC1=NC=CC=C1 D72165 [1,0,1,0,0,0|2,0,0]=4 20 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [2,0,0,0,0,0|1,0,0]=3 21 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [2,0,0,0,0,0|1,0,0]=3 22 B12R2.24 ClC1=CC2=C(C=C1)CCOC2 Y14506 [2,0,0,0,0,0|2,0,0]=4 23 B12R2.24 ClC1=NC=C2CCCCC2=C1 77586 [2,0,0,0,0,0|2,0,0]=4 24 B12R2.24 O=C1C=C2CCCCC2=CN1 89637 [2,0,0,0,0,0|2,0,0]=4 25 B14R2.1801 COC1=CC2=C(C=C1)[C@@H](N)CCC2 N10946 [1,1,0,0,0,0|1,0,0]=3 26 B14R2.1801 COC1=CC2=C(C=C1)[C@@H](N)CCC2 N10947 [1,1,0,0,0,0|1,0,0]=3 27 B14R2.1801 COC1=CC2=C(C=C1)[C@@H](N)CCC2 Y11202 [1,1,0,0,0,0|1,0,0]=3 28 B14R2.1801 COC1=CC2=C(C=C1)[C@@H](N)CCC2 Y11255 [1,1,0,0,0,0|1,0,0]=3 29 B14R2.8038 CC1=C(C)C2=C(C=C1)[C@@H](N)CCC2 Y12378 [1,1,0,0,0,0|1,0,0]=3 30 B14R2.8038 CC1=C(C)C2=C(C=C1)[C@@H](N)CCC2 Y12379 [1,1,0,0,0,0|1,0,0]=3 31 B14R2.8038 CC1=CC=C2C(=C1F)OCC[C@@H]2N Y12369 [1,1,0,0,0,0|2,0,0]=4 32 B14R2.8038 CC1=CC=C2C(=C1F)OCC[C@@H]2N Y12370 [1,1,0,0,0,0|2,0,0]=4 33 B14R2.8038 CC1=CC=C2C(=O)CCCC2=C1Br N10661 [1,1,0,0,0,0|1,0,1]=4 34 B14R2.28472 CC1=C(F)C=C2C(=C1)OCC[C@@H]2N Y12340 [1,1,0,0,0,0|2,0,0]=4 35 B14R2.28472 CC1=C(F)C=C2C(=C1)OCC[C@@H]2N Y12341 [1,1,0,0,0,0|2,0,0]=4 36 B14R2.28472 CC1=CC2=C(C=C1C)[C@@H](N)CCC2 Y13842 [1,1,0,0,0,0|1,0,0]=3 37 B14R2.28472 CC1=CC2=C(C=C1C)[C@@H](N)CCC2 Y13843 [1,1,0,0,0,0|1,0,0]=3 38 B14R2.28472 CC1=CC2=C(C=C1C)[C@@H](N)CCC2 Y14376 [1,1,0,0,0,0|1,0,0]=3 39 B14R2.3367 COC1=CC2=C(C=C1)C(C)(C)CN2 85448 [0,1,0,0,1,0|1,0,0]=3 40 B16R2.7933 C#CC1=CC2=C(C=C1)C(C)(C)CCC2=O D72373 [0,2,0,0,0,0|0,0,2]=4 41 B16R2.104351 CC1=CC2=C(C(C)=C1)C(C)(C)CC(=O)O2 W17361 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.226 CN(C)CCC1=CC=CC(Br)=C1 F52728 [0,0,1,0,1,0|2,0,0]=4 43 B12R2.2403 CC1(C)CNC2=NC=CC=C21 85483 [1,0,0,0,1,0|2,0,0]=4 44 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 37675 [1,0,0,0,1,0|1,0,0]=3 45 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 Y11203 [1,0,0,0,1,0|2,0,0]=4 46 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [1,0,0,0,1,0|2,0,0]=4 47 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [1,0,0,0,1,0|2,0,0]=4 48 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [1,0,0,0,1,0|2,0,0]=4