0 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS-W019837 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 C#CC(C)C1=CC=CC=C1 CS-B0615 [1,0,0,0,0,0|0,0,2]=3 2 B10R1.15 C#CC(O)C1=CC=CC=C1 CS-W013411 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 CS-0028334 [1,0,0,0,0,0|0,0,0]=1 4 B10R1.15 OCC(O)C1=CC=CC=C1 CS-W016504 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.17 C=CCC(N)C1=CC=CC(Cl)=C1 CS-0084577 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.30 CCOCC(N)C1=CC=CC=C1 CS-0069368 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 CS-0047037 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 CS-M3606 [0,1,0,0,0,0|1,0,0]=2 10 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 CS-W019085 [0,0,0,1,0,0|0,0,0]=1 11 B12R2.2 C1=CN=C(C2CCNC2)C=C1 CS-0028223 [0,0,0,1,0,0|1,0,0]=2 12 B12R2.116 NC1(C2=CC=CC=C2)COC1 CS-0046823 [0,0,0,1,0,0|2,0,0]=3 13 B12R2.1081 C[C@@H]1CNCC2=C1C=CC=C2 CS-0047287 [0,0,0,1,0,0|0,0,0]=1 14 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 CS-M1733 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 CS-0079970 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 CS-0079961 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.2028 CN1C=[N+](C)C2=CC=CC=C21 CS-0091484 [0,0,0,1,0,0|1,0,1]=3 18 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 CS-0051321 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.6 CC(Cl)C1=CN=CC=C1 CS-0046962 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.6 CC(N)C1=CC=NC=C1 CS-0109447 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.6 CC(N)C1=NC=CC=N1 CS-W021261 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.6 C[C@@H](N)C1=CC=CN=C1 CS-0029799 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.6 C[C@H](N)C1=CC=NC=C1 CS-0098146 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.6 C[C@H](N)C1=NC=CC=C1 CS-M3539 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [2,0,0,0,0,0|0,0,0]=2 26 B9R1.8 CNCC1=NC=CC=C1 CS-0062387 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 CS-B0616 [1,1,0,0,0,0|0,0,2]=4 29 B11R1.7 NCC(F)(F)C1=NC=CC=C1 CS-B0385 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.12 CCB(CC)C1=CC=CN=C1 CS-B0611 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 CS-0102088 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS-W009051 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 CS-W020378 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 CS-0046949 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 CS-0096195 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 CS-W020621 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 CS-M2109 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 CS-0037552 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 CS-B0677 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 CS-B0678 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.222 CNC(=O)C1=CC=CC=C1N CS-W004940 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.222 NCC(=O)C1=CC=CC=C1F CS-W021538 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.1 CCNCC1=CC=C(C)C=C1 CS-0045363 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.24 O=CCCC1=CC=CC(Br)=C1 CS-B0312 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.24 OCCCC1=CC=CC(Br)=C1 CS-B0313 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.28 C#CCNCC1=CC=CC=C1 CS-0047035 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.28 OCCCCC1=CC=NC=C1 CS-0028752 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS-W021067 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.1327 CC(C)(CC=O)SC1=CC=CC=C1 CS-B1617 [0,1,0,0,0,1|2,0,0]=4 52 B13R1.22 COC(=O)C(C)C1=CC=CC(Br)=C1 CS-0094506 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CS-0031374 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.708 COC(=O)C(C)(C)C1=CC=CC=C1 CS-W007095 [0,2,0,0,0,0|1,0,1]=4 55 B11R2.1 NC1COC2=CC=CC=C21 CS-0070832 [1,0,0,1,0,0|2,0,0]=4 56 B11R2.40 NC1(C2=CC=CC=C2)CC1 CS-B0487 [1,0,0,1,0,0|1,0,0]=3 57 B11R2.20 C1=CC=C2OCCCC2=C1 CS-M3130 [1,0,0,1,0,0|2,0,0]=4 58 B11R2.20 C1=NC=C2CCNCC2=C1 CS-WAA0313 [1,0,0,1,0,0|1,0,0]=3 59 B11R2.20 C1=NC=C2CNCCC2=C1 CS-D0201 [1,0,0,1,0,0|1,0,0]=3 60 B13R2.3 C1=CC(C2CNCCO2)=CC=N1 CS-W021459 [0,1,0,1,0,0|1,0,0]=3 61 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 CS-0028391 [0,1,0,1,0,0|1,0,0]=3 62 B13R2.3 C1=CC=C(C2COCCN2)C=C1 CS-0030635 [0,1,0,1,0,0|1,0,0]=3 63 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 CS-0038114 [0,1,0,1,0,0|1,0,0]=3 64 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 CS-0041922 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.12 CC1=CC=C(C2CCCN2)C=C1 CS-W019394 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 CS-W021158 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 CS-0053973 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.520 N[C@H](C1=CC=C(F)C=C1)C2CC2 CS-0101642 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.5179 NC1CCCC2=CC(Br)=CC=C21 CS-W006967 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.5187 CC1=NN(C)C2=C1C=C(Br)C=C2 CS-0050659 [0,1,0,1,0,0|1,0,1]=4 71 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 CS-0101646 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.162 CC1=CC2=C(C=C1)CCCC2N CS-0040492 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.162 NC1CCCC2=C1C=C(Br)C=C2 CS-0041926 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.162 NC1CCCC2=C1C=C(Br)C=C2 CS-0101640 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.342 NC1CCCC2=C1C=CC=C2Br CS-0041925 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.342 NC1CCCC2=C1C=CC=C2Br CS-0101657 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.342 N[C@@H]1CCCC2=C1C=CC=C2Br CS-0101691 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.342 OC1=CC=CC2=C1CCCC2O CS-0113573 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.5252 O=C1CCNCC2=CC=CC=C12 CS-B0972 [0,1,0,1,0,0|1,0,1]=4 80 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 CS-0034126 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 CS-0034127 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CS-W008367 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.18 FC1=CC=CC=C1C2CCCN2 CS-W008291 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.18 OC1=C(C2CCCC2)C=CC=C1 CS-0082782 [0,1,0,1,0,0|1,0,0]=3 85 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 CS-0094327 [0,0,0,2,0,0|2,0,0]=4 86 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 CS-M1957 [0,0,0,2,0,0|2,0,0]=4 87 B9R1.11 NCC(O)C1=CC=CO1 CS-0038432 [1,0,0,0,1,0|2,0,0]=4