0 B21R2.205989 Cc1ccccc1C(c2ccccc2)OCCN(C)C CHEBI:7789 [0,0,0,0,0,0|0,0,0]=0 1 B21R2.205989 Cc1ccccc1C(c2ccccc2)OCCN(C)C CHEBI:7790 [0,0,0,0,0,0|0,0,0]=0 2 B21R2.205989 Cc1ccccc1C(c2ccccc2)OCC[NH+](C)C CHEBI:60902 [0,0,0,0,0,0|0,0,1]=1 3 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 CHEBI:4636 [1,0,0,0,0,0|0,0,0]=1 4 B20R2.10799 C[NH+](C)CCOC(c1ccccc1)c2ccccc2 CHEBI:34720 [1,0,0,0,0,0|0,0,1]=2 5 B20R2.10799 C[NH+](C)CCOC(c1ccccc1)c2ccccc2 CHEBI:4604 [1,0,0,0,0,0|0,0,1]=2 6 B20R2.10799 C[NH+](C)CCOC(c1ccccc1)c2ccccc2 CHEBI:4637 [1,0,0,0,0,0|0,0,1]=2 7 B22R3.16182945 CN(C)CCCN1c2ccccc2Sc3c1cccc3 CHEBI:8459 [0,0,0,1,0,0|3,0,0]=4 8 B22R3.16182945 CN(C)CCCN1c2ccccc2Sc3c1cccc3 CHEBI:8460 [0,0,0,1,0,0|3,0,0]=4 9 B21R2.252285 CC(c1ccccc1)(c2ccccn2)OCCN(C)C CHEBI:51380 [1,1,0,0,0,0|1,0,0]=3 10 B21R2.366996 CN(C)CCOC(c1ccc(cc1)Cl)c2ccccn2 CHEBI:31353 [1,1,0,0,0,0|1,0,0]=3 11 B21R2.366996 CN(C)CCOC(c1ccc(cc1)Cl)c2ccccn2 CHEBI:3398 [1,1,0,0,0,0|1,0,0]=3 12 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(cc2)Br CHEBI:59177 [1,1,0,0,0,0|0,0,0]=2 13 B21R2.366996 CN(C)CCO[C@@H](c1ccc(cc1)Cl)c2ccccn2 CHEBI:59329 [1,1,0,0,0,0|1,0,0]=3 14 B21R2.366996 CN(C)CCO[C@@H](c1ccc(cc1)Cl)c2ccccn2 CHEBI:59330 [1,1,0,0,0,0|1,0,0]=3 15 B21R2.366996 CN(C)CCO[C@@H](c1ccccc1)c2ccc(cc2)Br CHEBI:59302 [1,1,0,0,0,0|0,0,0]=2 16 B21R2.366996 CN(C)CCO[C@H](c1ccc(cc1)Cl)c2ccccn2 CHEBI:59328 [1,1,0,0,0,0|1,0,0]=3 17 B21R2.366996 CN(C)CCO[C@H](c1ccccc1)c2ccc(cc2)Br CHEBI:59301 [1,1,0,0,0,0|0,0,0]=2 18 B21R2.366996 C[NH+](C)CCOC(c1ccccc1)c2ccc(cc2)Br CHEBI:59178 [1,1,0,0,0,0|0,0,1]=3 19 B21R2.366996 C[NH+](C)CCO[C@@H](c1ccccc1)c2ccc(cc2)Br CHEBI:59305 [1,1,0,0,0,0|0,0,1]=3 20 B21R2.366996 C[NH+](C)CCO[C@H](c1ccccc1)c2ccc(cc2)Br CHEBI:59304 [1,1,0,0,0,0|0,0,1]=3 21 B21R3.12150 CN1CCOC(c2ccccc2C1)c3ccccc3 CHEBI:88318 [1,0,0,1,0,0|0,0,0]=2 22 B21R3.12150 CN1CCO[C@@H](c2ccccc2C1)c3ccccc3 CHEBI:88315 [1,0,0,1,0,0|0,0,0]=2 23 B21R3.12150 CN1CCO[C@H](c2ccccc2C1)c3ccccc3 CHEBI:88314 [1,0,0,1,0,0|0,0,0]=2 24 B21R3.12150 CN1CCO[C@H](c2ccccc2C1)c3ccccc3 CHEBI:88320 [1,0,0,1,0,0|0,0,0]=2 25 B21R3.12150 C[NH+]1CCO[C@@H](c2ccccc2C1)c3ccccc3 CHEBI:88324 [1,0,0,1,0,0|0,0,1]=3 26 B21R3.12150 C[NH+]1CCO[C@H](c2ccccc2C1)c3ccccc3 CHEBI:88325 [1,0,0,1,0,0|0,0,1]=3 27 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 CHEBI:2666 [0,1,0,1,0,0|1,0,1]=4 28 B23R3.26139327 CN(C)CCCN1c2ccccc2CCc3c1cccc3 CHEBI:47499 [0,1,0,1,0,0|2,0,0]=4 29 B23R3.26139327 CN(C)CC\C=C/1\c2ccccc2COc3c1cccc3 CHEBI:36691 [0,1,0,1,0,0|1,0,1]=4 30 B23R3.26139327 CN(C)CC\C=C/1\c2ccccc2COc3c1cccc3 CHEBI:4710 [0,1,0,1,0,0|1,0,1]=4 31 B23R3.26139327 CN(C)CC\C=C/1\c2ccccc2CSc3c1cccc3 CHEBI:36798 [0,1,0,1,0,0|1,0,1]=4 32 B23R3.26139327 CN(C)CC\C=C/1\c2ccccc2CSc3c1cccc3 CHEBI:36802 [0,1,0,1,0,0|1,0,1]=4 33 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2CSc3c1cccc3 CHEBI:36803 [0,1,0,1,0,0|1,0,1]=4