0 B16R2.2822 Cc1cc(nc(n1)Nc2ccccc2)C CSC011209724 [0,0,0,0,0,0|0,0,0]=0 1 B16R2.2822 Cc1cc(nc(n1)Sc2ccccc2)C CSC000015190 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.150377 Cc1cccc(c1)Nc2nc(cc(n2)C)C CSC000030708 [0,1,0,0,0,0|0,0,0]=1 3 B17R2.347286 Cc1cc(nc(n1)Nc2ccc(cc2)F)C CSC020806969 [0,1,0,0,0,0|0,0,0]=1 4 B17R2.347286 Cc1cc(nc(n1)Sc2ccc(cc2)O)C CSC000297539 [0,1,0,0,0,0|1,0,0]=2 5 B17R2.347286 Cc1ccc(cc1)Nc2nc(cc(n2)C)C CSC000011096 [0,1,0,0,0,0|0,0,0]=1 6 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C CSC000226467 [0,0,0,0,0,1|2,0,0]=3 7 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)C CSC000291921 [0,0,0,0,0,1|3,0,0]=4 8 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)C CSC000262157 [0,0,0,0,0,1|3,0,0]=4 9 B17R2.3212 Cc1cc(nc(n1)NCc2ccccc2)C CSC000243913 [0,0,0,0,0,1|0,0,0]=1 10 B17R2.3212 Cc1cc(nc(n1)SCc2ccccc2)C CSC000000707 [0,0,0,0,0,1|1,0,0]=2 11 B17R2.3212 Cc1cc(nc(n1)SCc2cccnc2)C CSC000026420 [0,0,0,0,0,1|2,0,0]=3 12 B16R2.131 Cc1ccc(cc1)Nc2cc(ncn2)C CSC021497337 [1,1,0,0,0,0|2,0,0]=4 13 B16R2.251 Cc1cccc(c1)Nc2cc(ncn2)C CSC021471411 [1,1,0,0,0,0|2,0,0]=4 14 B16R2.4064 Cc1cc(n(n1)Cc2ccccc2Cl)C CSC011836426 [0,1,0,0,1,0|2,0,0]=4 15 B18R2.154 COc1cc(nc(n1)NCc2ccccc2)C CSC000239606 [0,1,0,0,0,1|0,0,0]=2 16 B18R2.3664 CC(Nc1nc(cc(n1)C)C)c2ccccn2 CSC000510024 [0,1,0,0,0,1|1,0,0]=3 17 B18R2.3664 CC(Nc1nc(cc(n1)C)C)c2cccnc2 CSC000649025 [0,1,0,0,0,1|1,0,0]=3 18 B18R2.3664 Cc1cc(nc(c1)NC(=O)c2ccccc2)C CSC046258394 [0,1,0,0,0,1|1,0,0]=3 19 B18R2.3664 Cc1cc(nc(c1)NC(=O)c2cccnc2)C CSC046161822 [0,1,0,0,0,1|2,0,0]=4 20 B18R2.3664 Cc1cc(nc(c1)NC(=O)c2ccncc2)C CSC046211285 [0,1,0,0,0,1|2,0,0]=4 21 B18R2.3664 Cc1cc(nc(n1)C)NC(=O)c2ccccc2 CSC046107585 [0,1,0,0,0,1|2,0,0]=4 22 B18R2.3664 Cc1cc(nc(n1)NC(=O)c2ccccc2)C CSC046189797 [0,1,0,0,0,1|0,0,0]=2 23 B18R2.3666 CN(Cc1cccnc1)c2nc(cc(n2)C)C CSC027786490 [0,1,0,0,0,1|1,0,0]=3 24 B18R2.3666 CN(Cc1cnccn1)c2nc(cc(n2)C)C CSC058250189 [0,1,0,0,0,1|2,0,0]=4 25 B18R2.272732 Cc1cccc(c1)CSc2nc(cc(n2)C)C CSC046899105 [0,1,0,0,0,1|1,0,0]=3 26 B18R2.272732 Cc1cncc(c1)CNc2nc(cc(n2)C)C CSC058062339 [0,1,0,0,0,1|1,0,0]=3 27 B18R2.284623 Cc1cc(cc(c1)NCc2ccccc2Cl)C CSC000618416 [0,1,0,0,0,1|2,0,0]=4 28 B18R2.284623 Cc1cc(nc(n1)NCc2ncccc2C)C CSC001062850 [0,1,0,0,0,1|1,0,0]=3 29 B18R2.284623 Cc1cc(nc(n1)SCc2ccccc2C)C CSC048005315 [0,1,0,0,0,1|1,0,0]=3 30 B18R2.284623 Cc1cc(nc(n1)SCc2ccccc2Cl)C CSC046223223 [0,1,0,0,0,1|1,0,0]=3 31 B18R2.686529 Cc1cc(cc(c1)NCc2ccc(cc2)Br)C CSC000618412 [0,1,0,0,0,1|2,0,0]=4 32 B18R2.686529 Cc1cc(cc(c1)NCc2ccc(cc2)Cl)C CSC000618411 [0,1,0,0,0,1|2,0,0]=4 33 B18R2.686529 Cc1cc(nc(n1)NCc2ccc(cc2)Cl)C CSC000408385 [0,1,0,0,0,1|0,0,0]=2 34 B18R2.686529 Cc1cc(nc(n1)SCc2ccc(cc2)Br)C CSC000247776 [0,1,0,0,0,1|1,0,0]=3 35 B18R2.686529 Cc1cc(nc(n1)SCc2ccc(cc2)Cl)C CSC046192163 [0,1,0,0,0,1|1,0,0]=3 36 B18R2.686529 Cc1ccc(cc1)CNc2cc(cc(c2)C)C CSC000618417 [0,1,0,0,0,1|2,0,0]=4 37 B18R2.686529 Cc1ccc(cn1)CNc2nc(cc(n2)C)C CSC000810429 [0,1,0,0,0,1|1,0,0]=3 38 B16R2.11351 Cc1cc(nc(n1)NCc2ccco2)C CSC000243912 [0,0,1,1,0,0|1,0,1]=4 39 B14R2.21 Cc1cccc(n1)c2ccccc2 CSC000066379 [1,0,0,0,1,0|1,0,0]=3 40 B14R2.21 Cc1ccnc(c1)c2ccccc2 CSC000074759 [1,0,0,0,1,0|1,0,0]=3 41 B14R2.598 Cc1nc(c(s1)C)c2ccccc2 CSC000169050 [0,0,0,0,2,0|1,0,0]=3 42 B16R2.252 Brc1ccnc(c1)NCc2ccccc2 CSC010191162 [1,0,0,0,0,1|2,0,0]=4 43 B16R2.252 Cc1cccc(n1)NCc2ccccc2 CSC011215723 [1,0,0,0,0,1|1,0,0]=3 44 B16R2.252 Cc1ccnc(c1)NCc2ccccc2 CSC000239948 [1,0,0,0,0,1|1,0,0]=3 45 B16R2.252 Cc1ccnc(c1)NCc2cccnc2 CSC011381394 [1,0,0,0,0,1|2,0,0]=4 46 B16R2.252 Cc1ccnc(n1)NCc2ccccc2 CSC011780789 [1,0,0,0,0,1|0,0,0]=2 47 B16R2.252 Cc1ccnc(n1)SCc2ccccc2 CSC000013087 [1,0,0,0,0,1|1,0,0]=3 48 B16R2.2884 Cc1nc([nH]c1C)SCc2ccccc2 CSC039387481 [0,0,0,0,1,1|1,0,1]=4 49 B18R2.3665 Cc1cc(cc(c1)CNCc2ccccc2)C CSC000224168 [0,0,0,0,0,2|2,0,0]=4 50 B18R2.3665 Cc1cc(nc(n1)C)NCCc2ccccc2 CSC000640855 [0,0,0,0,0,2|2,0,0]=4 51 B18R2.3665 Cc1cc(nc(n1)NCCc2ccccc2)C CSC000640856 [0,0,0,0,0,2|0,0,0]=2