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 52 B15R2.29 Brc1cnc(nc1)Nc2ccccc2 CSC011939124 [2,1,0,0,0,0|0,0,0]=3 53 B15R2.29 Fc1ccc(cc1)Oc2ncccn2 CSC032195680 [2,1,0,0,0,0|1,0,0]=4 54 B15R2.29 Ic1ccc(cc1)Oc2ncccn2 CSC000173529 [2,1,0,0,0,0|1,0,0]=4 55 B15R2.17 COc1cccc(n1)c2ccccc2 CSC000101193 [1,1,0,0,1,0|1,0,0]=4 56 B15R2.309 Cc1cc(n(n1)c2ccc(cc2)Cl)C CSC000175126 [0,1,0,0,2,0|1,0,0]=4 57 B15R2.309 Cc1nc(c(s1)C)c2ccc(cc2)Br CSC000168999 [0,1,0,0,2,0|1,0,0]=4 58 B15R2.309 Cc1nc(c(s1)C)c2ccc(cc2)Cl CSC000169053 [0,1,0,0,2,0|1,0,0]=4 59 B15R2.309 Cc1nc(c(s1)C)c2ccc(cc2)F CSC000169006 [0,1,0,0,2,0|1,0,0]=4 60 B15R2.334 Cc1cc(n(n1)c2cccc(c2)Br)C CSC000222777 [0,1,0,0,2,0|1,0,0]=4 61 B15R2.334 Cc1cc(n(n1)c2cccc(c2)Cl)C CSC000175186 [0,1,0,0,2,0|1,0,0]=4 62 B15R2.557 Cc1cc(n(n1)c2ccccc2Br)C CSC011313176 [0,1,0,0,2,0|1,0,0]=4 63 B15R2.557 Cc1cc(n(n1)c2ccccc2Cl)C CSC000175178 [0,1,0,0,2,0|1,0,0]=4 64 B17R2.215 Cc1ccc(cc1)CNc2cc(ccn2)C CSC005471803 [1,1,0,0,0,1|1,0,0]=4 65 B17R2.215 Cc1cccc(n1)NCc2ccc(cc2)Br CSC000380305 [1,1,0,0,0,1|1,0,0]=4 66 B17R2.215 Cc1cccc(n1)NCc2ccc(cc2)Cl CSC000380291 [1,1,0,0,0,1|1,0,0]=4 67 B17R2.215 Cc1ccnc(c1)NCc2ccc(cc2)Cl CSC000283302 [1,1,0,0,0,1|1,0,0]=4 68 B17R2.215 Cc1ccnc(n1)SCc2ccc(cc2)Cl CSC000013088 [1,1,0,0,0,1|1,0,0]=4 69 B17R2.5273 Cc1ccnc(n1)C(=O)Nc2ccncc2 CSC028651643 [1,1,0,0,0,1|1,0,0]=4 70 B17R2.5293 Cc1ccnc(n1)NC(=O)c2cccnc2 CSC037561067 [1,1,0,0,0,1|1,0,0]=4 71 B17R2.41893 Cc1ccnc(n1)SCc2ccccc2C CSC048410227 [1,1,0,0,0,1|1,0,0]=4 72 B17R2.41893 Cc1ccnc(n1)SCc2ccccc2Cl CSC030155077 [1,1,0,0,0,1|1,0,0]=4 73 B17R2.24 COc1ccnc(n1)Nc2ccc(cc2)C CSC021478225 [1,2,0,0,0,0|0,0,0]=3 74 B17R2.386 Cc1nc(sc1C)Nc2ccc(c(c2)Cl)F CSC000256552 [0,2,0,0,1,0|1,0,0]=4 75 B19R2.4101 CC(CNc1nc(cc(n1)C)C)c2ccccc2 CSC000647413 [0,1,0,0,0,2|0,0,0]=3 76 B19R2.4101 Cc1cc(nc(n1)NCC(N)c2ccccc2)C CSC001045216 [0,1,0,0,0,2|0,0,0]=3 77 B19R2.483874 Cc1cccc(c1)CCNc2nc(cc(n2)C)C CSC000958553 [0,1,0,0,0,2|0,0,0]=3 78 B19R2.594208 Cc1cc(nc(n1)NCCc2ccccc2Cl)C CSC092817003 [0,1,0,0,0,2|0,0,0]=3 79 B19R2.1294086 Cc1ccc(cc1)C=NNc2nc(cc(n2)C)C CSC046162546 [0,1,0,0,0,2|0,0,0]=3 80 B19R2.8217 COc1cc(nc(n1)NCc2ncccc2F)C CSC095888480 [0,2,0,0,0,1|1,0,0]=4 81 B19R2.8305 CCc1cc(nc(n1)NCc2cc(=O)cc[nH]2)C CSC062978449 [0,2,0,0,0,1|1,0,0]=4 82 B19R2.8305 CCc1cc(nc(n1)NCc2ccnc(c2)O)C CSC095237387 [0,2,0,0,0,1|1,0,0]=4 83 B19R2.4106 Cc1cc(nc(n1)NS(=O)(=O)c2ccccc2)C CSC046921384 [0,2,0,0,0,1|0,0,0]=3 84 B19R2.9896 Cc1cc(nc(n1)N[C@H](CO)c2ccccc2)C CSC048970181 [0,2,0,0,0,1|0,0,0]=3 85 B19R2.1291524 C[C@H](Nc1nc(cc(n1)C)C)c2ccc(cn2)Cl CSC059194091 [0,2,0,0,0,1|1,0,0]=4 86 B19R2.1291524 Cc1cc(nc(c1)NC(=O)c2ccc(cc2)Br)C CSC001726029 [0,2,0,0,0,1|1,0,0]=4 87 B19R2.1291524 Cc1cc(nc(c1)NC(=O)c2ccc(cc2)Cl)C CSC046168916 [0,2,0,0,0,1|1,0,0]=4 88 B19R2.1291524 Cc1cc(nc(c1)NC(=O)c2ccc(cc2)F)C CSC008627669 [0,2,0,0,0,1|1,0,0]=4 89 B19R2.1291524 Cc1cc(nc(n1)NC(=O)c2ccc(cc2)Br)C CSC000595546 [0,2,0,0,0,1|0,0,0]=3 90 B19R2.1291524 Cc1cc(nc(n1)NC(=O)c2ccc(cc2)Cl)C CSC049111864 [0,2,0,0,0,1|0,0,0]=3 91 B19R2.1291524 Cc1cc(nc(n1)NC(=O)c2ccc(cc2)F)C CSC000595609 [0,2,0,0,0,1|0,0,0]=3 92 B19R2.1291524 Cc1ccc(cc1)C(=O)Nc2cc(cc(n2)C)C CSC046164507 [0,2,0,0,0,1|1,0,0]=4 93 B19R2.1291524 Cc1ccc(cc1)C(=O)Nc2nc(cc(n2)C)C CSC047920436 [0,2,0,0,0,1|0,0,0]=3 94 B19R2.4541611 Cc1cc(nc(c1)NC(=O)c2ccccc2Br)C CSC001726016 [0,2,0,0,0,1|1,0,0]=4 95 B19R2.4541611 Cc1cc(nc(c1)NC(=O)c2ccccc2C)C CSC046168391 [0,2,0,0,0,1|1,0,0]=4 96 B19R2.4541611 Cc1cc(nc(c1)NC(=O)c2ccccc2F)C CSC001544899 [0,2,0,0,0,1|1,0,0]=4 97 B19R2.4541611 Cc1cc(nc(n1)NC(=O)c2ccccc2Br)C CSC000389606 [0,2,0,0,0,1|0,0,0]=3 98 B19R2.4541611 Cc1cc(nc(n1)NC(=O)c2ccccc2C)C CSC047642024 [0,2,0,0,0,1|0,0,0]=3 99 B19R2.4541611 Cc1cc(nc(n1)NC(=O)c2ccccc2Cl)C CSC046248891 [0,2,0,0,0,1|0,0,0]=3 100 B19R2.4541611 Cc1cc(nc(n1)NC(=O)c2ccccc2F)C CSC000595547 [0,2,0,0,0,1|0,0,0]=3 101 B19R2.4541611 Cc1cc(nc(n1)NC(=O)c2ccccc2I)C CSC000595867 [0,2,0,0,0,1|0,0,0]=3 102 B19R2.5828772 CC(Nc1nc(cc(n1)C)C)c2cncc(c2)F CSC058382045 [0,2,0,0,0,1|1,0,0]=4 103 B19R2.5828772 Cc1cc(nc(c1)NC(=O)c2cccc(c2)Cl)C CSC046577275 [0,2,0,0,0,1|1,0,0]=4 104 B19R2.5828772 Cc1cc(nc(c1)NC(=O)c2cccc(c2)F)C CSC046435372 [0,2,0,0,0,1|1,0,0]=4 105 B19R2.5828772 Cc1cc(nc(n1)NC(=O)c2cccc(c2)Br)C CSC000389787 [0,2,0,0,0,1|0,0,0]=3 106 B19R2.5828772 Cc1cc(nc(n1)NC(=O)c2cccc(c2)Cl)C CSC048509105 [0,2,0,0,0,1|0,0,0]=3 107 B19R2.5828772 Cc1cc(nc(n1)NC(=O)c2cccc(c2)F)C CSC046092839 [0,2,0,0,0,1|0,0,0]=3 108 B19R2.5828772 Cc1cc(nc(n1)NC(=O)c2cncc(c2)Br)C CSC000604147 [0,2,0,0,0,1|1,0,0]=4 109 B19R2.5828772 Cc1cccc(c1)C(=O)Nc2cc(cc(n2)C)C CSC046110663 [0,2,0,0,0,1|1,0,0]=4 110 B19R2.5828772 Cc1cccc(c1)C(=O)Nc2nc(cc(n2)C)C CSC046186538 [0,2,0,0,0,1|0,0,0]=3 111 B19R2.37531 Cc1cc(c(c(n1)NCc2ccccc2)C#N)C CSC000197286 [0,2,0,0,0,1|1,0,0]=4 112 B19R2.293671 COc1cc(ccn1)CNc2nc(cc(n2)C)C CSC000518038 [0,2,0,0,0,1|1,0,0]=4 113 B19R2.293671 COc1cccc(c1)CSc2nc(cc(n2)C)C CSC047775094 [0,2,0,0,0,1|1,0,0]=4 114 B19R2.465215 Cc1cc(cc(n1)C)CNc2nc(cc(n2)C)C CSC057912638 [0,2,0,0,0,1|1,0,0]=4 115 B19R2.465215 Cc1cc(nc(c1)NCc2cc(cc(c2)Cl)F)C CSC096057195 [0,2,0,0,0,1|1,0,0]=4 116 B19R2.506471 Cc1ccc(c(c1)CSc2nc(cc(n2)C)C)C CSC048236177 [0,2,0,0,0,1|1,0,0]=4 117 B19R2.318031 COc1ccccc1CNc2nc(cc(n2)C)C CSC000517982 [0,2,0,0,0,1|0,0,0]=3 118 B19R2.318031 COc1ccccc1CSc2nc(cc(n2)C)C CSC046315900 [0,2,0,0,0,1|1,0,0]=4 119 B19R2.4551293 Cc1cc(nc(c1)NCc2ccc(cc2F)Cl)C CSC088726494 [0,2,0,0,0,1|1,0,0]=4 120 B19R2.57003 CCc1cc(nc(n1)Nc2ccc(nc2)NC)C CSC094727380 [0,3,0,0,0,0|1,0,0]=4 121 B19R2.57003 CCc1cc(nc(n1)Oc2ccc(cc2)CN)C CSC088098198 [0,3,0,0,0,0|1,0,0]=4 122 B19R2.44733 Cc1cc(nc(n1)Oc2cccc(c2)[N+](=O)[O-])C CSC046125616 [0,3,0,0,0,0|1,0,0]=4 123 B19R2.4109 Cc1cc(nc(n1)Oc2ccccc2[N+](=O)[O-])C CSC046084734 [0,3,0,0,0,0|1,0,0]=4 124 B19R2.4097 Cc1cc(nc(n1)Oc2ccc(cc2)[N+](=O)[O-])C CSC046159724 [0,3,0,0,0,0|1,0,0]=4 125 B17R2.18588 Cc1cc(nc(n1)NN=Cc2ccco2)C CSC034577082 [0,1,1,1,0,0|1,0,0]=4 126 B17R2.18548 Cc1cc(nc(n1)NC(=O)c2ccco2)C CSC000013587 [0,1,1,1,0,0|1,0,0]=4 127 B17R2.18548 Cc1cc(nc(n1)NC(=O)c2cccs2)C CSC000012424 [0,1,1,1,0,0|1,0,0]=4 128 B13R2.3 c1ccc(cc1)c2ncccn2 CSC000067487 [2,0,0,0,1,0|0,0,0]=3 129 B13R2.10 Cc1csc(n1)c2ccccc2 CSC000169097 [1,0,0,0,2,0|1,0,0]=4 130 B13R2.10 Cc1nc(no1)c2ccccc2 CSC000015794 [1,0,0,0,2,0|1,0,0]=4 131 B13R2.10 Cn1ccc(n1)c2ccccc2 CSC012186690 [1,0,0,0,2,0|1,0,0]=4 132 B13R2.15 Cn1ccnc1c2ccccc2 CSC009860139 [1,0,0,0,2,0|1,0,0]=4 133 B15R2.2195 C(Nc1ncccn1)c2ccccn2 CSC000156432 [2,0,0,0,0,1|1,0,0]=4 134 B15R2.2195 C(Sc1ncccn1)c2ccccc2 CSC000000291 [2,0,0,0,0,1|1,0,0]=4