0 B18R3.570036 Cc1ccc2cc3ccc(cc3cc2c1)C TS39055 [0,0,0,0,0,0|3,0,0]=3 1 B18R3.570036 c1cc(cc2c1cc3ccc(cc3n2)N)N TS20766 [0,0,0,0,0,0|0,0,0]=0 2 B18R3.570036 c1cc(cc2c1cc3ccc(cc3n2)N)N TS34392 [0,0,0,0,0,0|0,0,0]=0 3 B18R3.570036 c1cc(cc2c1cc3ccc(cc3n2)N)N TS83423 [0,0,0,0,0,0|0,0,0]=0 4 B18R3.570036 c1cc2c(cc1N)SC3=C(=N2)C=CC(=C3)N TS55032 [0,0,0,0,0,0|2,0,1]=3 5 B18R3.570036 c1cc2c(cc1O)oc-3cc(=O)ccc3n2 TS21475 [0,0,0,0,0,0|4,0,0]=4 6 B18R3.570036 c1cc2c(cc1[O-])oc-3cc(=O)ccc3n2 TS25712 [0,0,0,0,0,0|4,0,0]=4 7 B17R3.3205 Cc1ccc2cc3ccccc3cc2c1 TS17540 [1,0,0,0,0,0|2,0,0]=3 8 B17R3.3205 c1ccc2c(c1)Nc3cc(ccc3S2)Cl TS00075 [1,0,0,0,0,0|2,0,1]=4 9 B17R3.3205 c1ccc2c(c1)Oc3ccc(cc3O2)Cl TS22498 [1,0,0,0,0,0|3,0,0]=4 10 B17R3.3205 c1ccc2c(c1)cc3cc(ccc3n2)N TS17893 [1,0,0,0,0,0|2,0,0]=3 11 B17R3.3205 c1ccc2cc3cc(ccc3cc2c1)Br TS55150 [1,0,0,0,0,0|2,0,0]=3 12 B17R3.3205 c1ccc2cc3cc(ccc3cc2c1)Cl TS21416 [1,0,0,0,0,0|2,0,0]=3 13 B17R3.3205 c1ccc2cc3cc(ccc3cc2c1)F TS53675 [1,0,0,0,0,0|2,0,0]=3 14 B17R3.3205 c1ccc2cc3cc(ccc3cc2c1)N TS17703 [1,0,0,0,0,0|1,0,0]=2 15 B17R3.3205 c1ccc2cc3cc(ccc3cc2c1)O TS55395 [1,0,0,0,0,0|2,0,0]=3 16 B19R3.168595 c1cc2c(cc1N)[nH]c3cc(ccc3c2=O)N TS24017 [0,1,0,0,0,0|0,0,1]=2 17 B19R3.168595 c1cc2c(cc1O)oc3cc(ccc3c2=O)O TS24483 [0,1,0,0,0,0|3,0,0]=4 18 B19R3.2152927 C[n+]1c2cc(ccc2cc3c1cc(cc3)N)N TS72213 [0,1,0,0,0,0|0,0,1]=2 19 B19R3.2152927 C[n+]1c2cc(ccc2cc3c1cc(cc3)N)N TS73364 [0,1,0,0,0,0|0,0,1]=2 20 B19R3.2152927 Cc1ccc2c(c1)c(=O)c3cc(ccc3s2)N TS26699 [0,1,0,0,0,0|3,0,0]=4 21 B17R2.465 c1cc(ccc1N)Oc2ccc(cc2Cl)Cl TS28565 [0,0,1,0,0,0|3,0,0]=4 22 B17R2.465 c1cc(ccc1Oc2ccc(cc2Cl)N)Cl TS28566 [0,0,1,0,0,0|3,0,0]=4 23 B17R3.30284 c1cc-2c(cc1Br)Cc3c2ccc(c3)Br TS77472 [0,0,0,0,1,0|3,0,0]=4 24 B17R3.30284 c1cc-2c(cc1Cl)Cc3c2ccc(c3)Cl TS25695 [0,0,0,0,1,0|3,0,0]=4 25 B17R3.30284 c1cc-2c(cc1I)Cc3c2ccc(c3)I TS69804 [0,0,0,0,1,0|3,0,0]=4 26 B17R3.30284 c1cc-2c(cc1N)Cc3c2ccc(c3)Br TS68341 [0,0,0,0,1,0|2,0,0]=3 27 B17R3.30284 c1cc-2c(cc1N)Cc3c2ccc(c3)N TS18294 [0,0,0,0,1,0|1,0,0]=2 28 B17R3.30284 c1cc-2c(cc1N)Cc3c2ccc(c3)N TS30647 [0,0,0,0,1,0|1,0,0]=2 29 B17R3.30284 c1cc2c3ccc(cc3[nH]c2cc1Br)Br TS93262 [0,0,0,0,1,0|2,0,1]=4 30 B17R3.31627 Cc1ccc2c(c1)c3cc(ccc3s2)C TS21377 [0,0,0,0,1,0|3,0,0]=4 31 B17R3.31627 c1cc2c(cc1Br)c3cc(ccc3[nH]2)Br TS61864 [0,0,0,0,1,0|3,0,0]=4 32 B17R3.31627 c1cc2c(cc1Br)c3cc(ccc3o2)Br TS92948 [0,0,0,0,1,0|3,0,0]=4 33 B17R3.31627 c1cc2c(cc1Br)c3cc(ccc3s2)Br TS78571 [0,0,0,0,1,0|3,0,0]=4 34 B17R3.31627 c1cc2c(cc1Cl)c3cc(ccc3[nH]2)Cl TS56753 [0,0,0,0,1,0|3,0,0]=4 35 B17R3.31627 c1cc2c(cc1I)c3cc(ccc3[nH]2)I TS93912 [0,0,0,0,1,0|3,0,0]=4 36 B16R2.33 Cc1ccc(cc1)Oc2ccc(cc2)N TS09540 [1,0,1,0,0,0|2,0,0]=4 37 B16R2.33 Cc1ccc(cc1)Sc2ccc(cc2)N TS21902 [1,0,1,0,0,0|2,0,0]=4 38 B16R2.33 c1cc(ccc1Cc2ccc(cc2)N)N TS54056 [1,0,1,0,0,0|0,0,1]=3 39 B16R2.33 c1cc(ccc1N)Oc2ccc(cc2)Cl TS02977 [1,0,1,0,0,0|2,0,0]=4 40 B16R2.33 c1cc(ccc1N)Oc2ccc(cc2)N TS19023 [1,0,1,0,0,0|1,0,0]=3 41 B16R2.33 c1cc(ccc1N)Sc2ccc(cc2)Cl TS02978 [1,0,1,0,0,0|2,0,0]=4 42 B16R2.33 c1cc(ccc1N)Sc2ccc(cc2)F TS22616 [1,0,1,0,0,0|2,0,0]=4 43 B16R2.33 c1cc(ccc1N)Sc2ccc(cc2)N TS22105 [1,0,1,0,0,0|1,0,0]=3 44 B16R2.312 c1ccc(cc1)Nc2ccc(cc2N)N TS37757 [1,0,1,0,0,0|1,0,1]=4 45 B16R2.1129 c1ccc(c(c1)Cc2ccc(cc2)N)N TS54063 [1,0,1,0,0,0|0,0,2]=4 46 B16R2.251 c1cc(cc(c1)N)Cc2cccc(c2)N TS54065 [1,0,1,0,0,0|1,0,0]=3 47 B16R2.251 c1cc(cc(c1)Oc2cccc(c2)N)N TS19029 [1,0,1,0,0,0|1,0,0]=3 48 B16R3.1720 c1ccc2c(c1)Cc3ccccc3N2 TS14824 [2,0,0,0,0,0|0,0,2]=4 49 B16R3.1720 c1ccc2c(c1)Cc3ccccc3O2 TS48276 [2,0,0,0,0,0|1,0,1]=4 50 B16R3.1720 c1ccc2c(c1)Cc3ccccc3S2 TS18669 [2,0,0,0,0,0|1,0,1]=4 51 B16R3.1720 c1ccc2c(c1)Cc3ccccc3[Te]2 TS58428 [2,0,0,0,0,0|1,0,1]=4 52 B16R3.1720 c1ccc2c(c1)Nc3ccccc3O2 TS59809 [2,0,0,0,0,0|1,0,1]=4 53 B16R3.1720 c1ccc2c(c1)Nc3ccccc3S2 TS59808 [2,0,0,0,0,0|1,0,1]=4 54 B16R3.1720 c1ccc2c(c1)Oc3ccccc3O2 TS48545 [2,0,0,0,0,0|2,0,0]=4 55 B16R3.1720 c1ccc2c(c1)Oc3ccccc3S2 TS32723 [2,0,0,0,0,0|2,0,0]=4 56 B16R3.1720 c1ccc2c(c1)Sc3ccccc3S2 TS49155 [2,0,0,0,0,0|2,0,0]=4 57 B16R3.1720 c1ccc2c(c1)cc3ccccc3n2 TS44749 [2,0,0,0,0,0|0,0,0]=2 58 B16R3.1720 c1ccc2c(c1)cc3ccccc3n2 TS47753 [2,0,0,0,0,0|0,0,0]=2 59 B16R3.1720 c1ccc2c(c1)nc3ccccc3n2 TS59806 [2,0,0,0,0,0|1,0,0]=3 60 B16R3.1720 c1ccc2cc3ccccc3cc2c1 TS39802 [2,0,0,0,0,0|1,0,0]=3 61 B18R2.66965 c1cc(c(cc1N)Cl)Sc2ccc(cc2Cl)N TS34819 [0,1,1,0,0,0|2,0,0]=4 62 B18R2.66989 c1cc(c(cc1N)Cc2cc(ccc2O)N)O TS74845 [0,1,1,0,0,0|2,0,0]=4 63 B18R3.1464 CCc1ccc2cc3ccccc3cc2c1 TS20232 [1,1,0,0,0,0|2,0,0]=4 64 B18R3.1464 c1ccc2cc3cc(ccc3cc2c1)CI TS61379 [1,1,0,0,0,0|2,0,0]=4 65 B18R3.3608 c1ccc2c(c1)nc3cc(c(cc3n2)N)N TS20932 [1,1,0,0,0,0|1,0,0]=3 66 B18R3.3608 c1ccc2c(c1)nc3cc(c(cc3n2)O)N TS43995 [1,1,0,0,0,0|1,0,0]=3 67 B18R3.52071 Cc1ccc2cc3ccccc3cc2c1C TS20234 [1,1,0,0,0,0|2,0,0]=4 68 B18R3.52086 c1ccc2c(c1)c(=O)c3cc(ccc3[nH]2)N TS43814 [1,1,0,0,0,0|2,0,0]=4 69 B18R3.99697 c1ccc2c(c1)c(=O)c3ccc(cc3o2)F TS44481 [1,1,0,0,0,0|2,0,0]=4 70 B18R3.99697 c1ccc2c(c1)c(=O)c3ccc(cc3o2)O TS21280 [1,1,0,0,0,0|2,0,0]=4 71 B18R3.567779 c1cc(cc2c1cc3cc(ccc3c2)Br)Br TS64006 [1,1,0,0,0,0|2,0,0]=4 72 B18R3.613346 Cc1cc(c2cc3ccccc3cc2c1)C TS39054 [1,1,0,0,0,0|2,0,0]=4 73 B18R3.51802 c1cc-2c(cc1N)C(=O)c3c2ccc(c3)Br TS33571 [0,1,0,0,1,0|2,0,0]=4 74 B18R3.51802 c1cc-2c(cc1N)C(=O)c3c2ccc(c3)N TS43818 [0,1,0,0,1,0|1,0,0]=3 75 B20R3.2800087 c1cc2c(cc1N)S(=O)(=O)c3cc(ccc3C2)N TS68393 [0,2,0,0,0,0|1,0,1]=4 76 B20R3.19129637 Cc1cc2cc3cc(c(cc3nc2cc1N)N)C TS33537 [0,2,0,0,0,0|0,0,0]=2 77 B16R3.2583 Cc1ccc2c(c1)c3ccccc3[nH]2 TS14820 [1,0,0,0,1,0|2,0,0]=4 78 B16R3.2583 Cc1ccc2c(c1)c3ccccc3o2 TS48278 [1,0,0,0,1,0|2,0,0]=4 79 B16R3.2583 Cc1ccc2c(c1)c3ccccc3s2 TS18671 [1,0,0,0,1,0|2,0,0]=4 80 B16R3.2583 c1ccc2c(c1)c3cc(ccc3[nH]2)Br TS09475 [1,0,0,0,1,0|2,0,0]=4 81 B16R3.2583 c1ccc2c(c1)c3cc(ccc3[nH]2)I TS93420 [1,0,0,0,1,0|2,0,0]=4 82 B16R3.2583 c1ccc2c(c1)c3cc(ccc3o2)Br TS27569 [1,0,0,0,1,0|2,0,0]=4 83 B16R3.2583 c1ccc2c(c1)c3cc(ccc3s2)Br TS29895 [1,0,0,0,1,0|2,0,0]=4 84 B16R3.2583 c1ccc2c(c1)c3cc(ccc3s2)F TS19398 [1,0,0,0,1,0|2,0,0]=4 85 B16R3.2637 Cc1ccc-2c(c1)Cc3c2cccc3 TS47971 [1,0,0,0,1,0|2,0,0]=4 86 B16R3.2637 Cc1ccc2c3ccccc3[nH]c2c1 TS14825 [1,0,0,0,1,0|1,0,1]=4 87 B16R3.2637 Cc1ccc2c3ccccc3sc2c1 TS18670 [1,0,0,0,1,0|2,0,0]=4 88 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)Br TS55168 [1,0,0,0,1,0|2,0,0]=4 89 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)Cl TS38011 [1,0,0,0,1,0|2,0,0]=4 90 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)F TS15270 [1,0,0,0,1,0|2,0,0]=4 91 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)I TS58262 [1,0,0,0,1,0|2,0,0]=4 92 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)N TS33209 [1,0,0,0,1,0|1,0,0]=3 93 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)O TS14985 [1,0,0,0,1,0|2,0,0]=4 94 B16R3.2637 c1ccc2c(c1)c3ccc(cc3[nH]2)Br TS27414 [1,0,0,0,1,0|1,0,1]=4 95 B16R3.2637 c1ccc2c(c1)c3ccc(cc3[nH]2)Cl TS93028 [1,0,0,0,1,0|1,0,1]=4 96 B16R3.2637 c1ccc2c(c1)c3ccc(cc3[nH]2)O TS48435 [1,0,0,0,1,0|1,0,1]=4 97 B16R3.2637 c1ccc2c(c1)c3ccc(cc3o2)Br TS93614 [1,0,0,0,1,0|2,0,0]=4 98 B16R3.2637 c1ccc2c(c1)c3ccc(nc3[nH]2)N TS47460 [1,0,0,0,1,0|1,0,1]=4 99 B18R3.32851 Cc1ccc2ccc3ccc(cc3c2c1)C TS20248 [0,0,0,0,1,1|2,0,0]=4