0 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [1,0,0,0,0,0|1,0,0]=2 1 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,1,0,0,0,0|1,0,1]=3 3 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,1,0,0,0,0|1,0,1]=3 4 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.36 CN(C(=O)C)c1ccccn1 CSC000243587 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,0,0,0,0,1|1,0,1]=3 10 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,0,0,0,0,1|2,0,1]=4 11 B10R1.13 CS(=O)c1ccc(cc1)Br CSC009816266 [1,1,0,0,0,0|1,0,0]=3 12 B10R1.13 CS(=O)c1ccc(cc1)Cl CSC000064343 [1,1,0,0,0,0|1,0,0]=3 13 B10R1.13 CS(=O)c1ccc(cc1)F CSC011920622 [1,1,0,0,0,0|1,0,0]=3 14 B10R1.13 CS(=O)c1ccc(cc1)O CSC000064373 [1,1,0,0,0,0|1,0,0]=3 15 B10R1.13 Cc1ccc(cc1)S(=O)C CSC000031592 [1,1,0,0,0,0|1,0,0]=3 16 B10R1.13 NC(=O)c1ccc(cc1)Cl CSC000162172 [1,1,0,0,0,0|1,0,1]=4 17 B10R1.13 NC(=O)c1ccc(cc1)I CSC000162191 [1,1,0,0,0,0|1,0,1]=4 18 B10R1.28 CS(=O)(=O)c1ccccc1 CSC000685546 [1,1,0,0,0,0|1,0,0]=3 19 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.113 NC(=O)c1cccc(c1)Br CSC000162208 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.113 NC(=O)c1cccc(c1)I CSC000162231 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.17 COCSc1ccccc1 CSC000000817 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,1,0,0,0,0|0,0,2]=4 38 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.43 CN(Cc1ccccc1)C(=O)C CSC000152884 [0,1,0,0,0,1|1,0,0]=3 41 B12R1.43 CN(Cc1ccccc1)C(=O)N CSC000238888 [0,1,0,0,0,1|1,0,0]=3 42 B12R1.43 NC(=O)C(=O)Nc1ccccc1 CSC000015721 [0,1,0,0,0,1|1,0,1]=4 43 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)N CSC011423145 [0,1,0,0,0,1|1,0,0]=3 44 B12R1.253 NC(=O)C(F)(F)c1ccccc1 CSC000008717 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,2,0,0,0,0|0,0,2]=4 46 B12R1.12 CCC(NC)c1ccc(cc1)Br CSC000231127 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.12 CCC(NC)c1ccc(cc1)F CSC000737546 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.478 CCC(C(=O)N)c1ccccc1 CSC000192809 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.478 CCN(C(=O)C)c1ccccc1 CSC000189716 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.478 COC(C(=O)N)c1ccccc1 CSC011347434 [0,2,0,0,0,0|0,0,0]=2 51 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [0,2,0,0,0,0|1,0,1]=4 52 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,2,0,0,0,0|0,0,2]=4 54 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,2,0,0,0,0|0,0,2]=4 57 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,2,0,0,0,0|0,0,0]=2 58 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,2,0,0,0,0|0,0,0]=2 59 B12R1.107 CN(CC(=O)O)c1ccccn1 CSC015360306 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,2,0,0,0,0|0,0,0]=2 62 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.107 NC(=O)CS(=O)c1ccccc1 CSC000064346 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.20 CN(C(=O)C)c1ccc(cc1)O CSC000743460 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.20 NC(=O)C(O)c1ccc(cc1)Cl CSC011626263 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.124 CN(C(=O)C)c1ccccc1C CSC012109126 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.564 CN(c1ccccc1)S(=O)(=O)C CSC000165594 [0,2,0,0,0,0|2,0,0]=4 68 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [0,0,0,1,0,1|1,0,1]=4 69 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [0,0,0,0,0,2|0,0,2]=4 70 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,0,0,0,0,2|1,0,1]=4