0 B10R1.17 CN\N=C\c1ccccc1 jmc010 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 c1cc(cnc1)CCCCl tv003vp1 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 c1cc(cnc1)CCCN tv003 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 c1ccc(cc1)C\C=N\O ab004 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.17 c1cnccc1CCCCl tv004vp1 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 c1cnccc1CCCN tv004 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 c1ccc(cc1)C#N=O jmc047 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.8 c1ccc(cc1)\C=N\N un308 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.1 COCOc1ccc(cc1)Br dq127vp1 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.1 COCOc1ccc(nc1)Br cdp175fp10 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.1 COCOc1ccc(nc1)Cl cdp172fp16 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.17 c1cncc(c1CCCO)Br ct051vp1fp4 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.24 Cc1cccc(c1)OCC#C fd131lit18 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.28 c1cc(cnc1)CCCCN tv004lit2 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.28 c1ccnc(c1)CCCCN tv004lit6 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.28 c1cnccc1CCCCN tv004lit1 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.40 C=CC(Cc1ccccc1)O jmc125 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.91 CN(C)\N=C\c1ccccc1 a083 [0,1,0,0,0,0|1,0,1]=3 18 B11R2.20 c1cc2c(nc1)CCCO2 un291 [0,0,0,1,0,0|3,0,0]=4 19 B11R2.238 c1ccc(cc1)NC2CC2 bio045 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.2 c1cc(cnc1)CI cic018 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.2 c1ccc(cc1)CI a245 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.1 CCCc1ccc(cn1)O cdp254de6 [1,1,0,0,0,0|1,0,0]=3 23 B10R1.1 CCNc1ccc(nc1)C ct051vp1fp2de8 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.1 CCOc1ccc(cn1)C a007de1de8 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.1 CCOc1ccc(cn1)N a007de1de4 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.1 CCOc1ccc(nc1)Br ct091de3 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.1 CCOc1ccc(nc1)N a007de1de1 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.1 Cc1ccc(cc1)\C=N\N un316 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.1 c1cc(ccc1\C=N\N)Br un311 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.1 c1cc(ccc1\C=N\N)Cl un312 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.1 c1cc(ccc1\C=N\N)F un310 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.1 c1cc(ccc1\C=N\N)N un314 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.1 c1cc(ccc1\C=N\N)O un315 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.4 CCCc1ccncc1O cdp254de8 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.4 CCNc1cnccc1C ct051vp1fp2de2 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 CCOc1c(cccn1)C a007de1de11 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.4 CCOc1c(cccn1)Cl cin105vpfp2 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.4 CCOc1c(cccn1)N a007de1de3 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.4 CCOc1cccnc1Br ct091de1 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.4 CCOc1cccnc1C rp328 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.4 CCOc1cccnc1N rp140 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.4 CCOc1ccncc1Br ct091de6 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.4 CCOc1ccncc1C ct091de2de5 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.4 CCOc1ccncc1Cl ct091de2de7 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.4 CCOc1ccncc1F ct091de2de6 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.4 CCOc1cnccc1Br ct091de7 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.4 CCOc1cnccc1N a007de1de13 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.10 CCCc1ccnc(c1)N a177 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.10 CCNc1cc(cnc1)C ct051vp1fp2de13 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.10 CCNc1ccc[n+](c1)[O-] cdp027vp2fp7de4 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.10 CCNc1cccc(n1)N cdp206fp13 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.10 CCOc1cc(ccn1)Br ct091 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.10 CCOc1cc(ccn1)C a007de1de9 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.10 CCOc1cc(ccn1)Cl a007de1fp1 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.10 CCOc1cc(ccn1)N a007de1 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.10 CCOc1cc(cnc1)Cl rp121 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.10 CCOc1cc(cnc1)N cdp229de1 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.10 CCOc1cc(cnc1)O cdp229de2 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.10 CCOc1cccc(n1)C a007de1de7 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.10 CCOc1cccc(n1)F rp007 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.10 CCOc1cccc(n1)N cdp194fp3vp1 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.10 CCOc1ccnc(c1)Br ct091de2 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.10 CCOc1ccnc(c1)C ct091de2de3 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.10 CCOc1ccnc(c1)Cl ct091de2de2 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.10 CCOc1ccnc(c1)F ct091de2de8 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.10 CCOc1ccnc(c1)N ct368 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.10 Cc1cccc(c1)\C=N\N un309 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.10 c1cc(cc(c1)Br)\C=N\N un317 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.10 c1cc(cc(c1)Cl)\C=N\N un318 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.10 c1cc(cc(c1)N)\C=N\N un319 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.10 c1cc(cc(c1)O)\C=N\N un321 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.3 c1ccc(cc1)C(CC=O)C#N a142de5 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.30 CCCSC(=S)c1ccccc1 a251lit12 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.28 CCCCOc1cc(ccn1)N cdp092fp30 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.8 c1cc(cnc1)CCCCCN tv004lit4 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.8 c1ccc(cc1)COCCCI bio060 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.8 c1ccnc(c1)CCCCCN tv004lit3 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.8 c1cnccc1CCCCCN tv004lit5 [0,2,0,0,0,0|2,0,0]=4 79 B12R2.24 c1c2c(cnc1N)CCCC2 cdp104de7 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.1081 c1cnc(c2c1CCCC2)N cdp104de6 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.32 c1ccc2c(c1)CC(N2)CI cic016 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.612 Cc1ccc2c(c1)ccn2C jmc119 [0,1,0,1,0,0|0,0,2]=4 83 B12R2.612 Cn1ccc2c1ccc(c2)Cl md017fp13 [0,1,0,1,0,0|0,0,2]=4 84 B12R2.1 c1ccc2c(c1)C(CO2)CI cic043 [0,1,0,1,0,0|2,0,0]=4