smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nc2ccc3c4ccccc4ccc3c2s1 5783477 ZPYGSEZNEZRJCM-UHFFFAOYSA-N 249.338 4.911 5 30 BJBC C[C@H](O)c1cc2ccc3cccc4ccc(c1)c2c34 6030306 VTDMOCLDFVEGNM-NSHDSACASA-N 246.309 4.637 5 30 BJBC Cc1cc2c3ccccc3[nH]c2c2ccccc12 34064980 WPEOLADVBIKBOW-UHFFFAOYSA-N 231.298 4.783 5 30 BJBC Cc1ccc2cc3ccc4ccccc4c3nc2c1 5420029 UYDADGWVXKATSV-UHFFFAOYSA-N 243.309 4.850 5 30 BJBC C[C@@H](O)c1cc2ccc3cccc4ccc(c1)c2c34 6037077 VTDMOCLDFVEGNM-LLVKDONJSA-N 246.309 4.637 5 30 BJBC Nc1c2ccccc2cc2c1ccc1ccccc12 1841280 MHVNNXIUZUDMDB-UHFFFAOYSA-N 243.309 4.728 5 30 BJBC Nc1cccc2cc3c(ccc4ccccc43)cc12 2002252 IKRQWWMBBZOIJO-UHFFFAOYSA-N 243.309 4.728 5 30 BJBC S=c1c2ccccc2sc2ccccc12 32299628 GFFOQYKXLQSUKD-UHFFFAOYSA-N 228.341 4.784 5 30 BJBC c1ccc2cc3c(ccc4cccnc43)cc2c1 2041220 JKJNHQJWGCHSHP-UHFFFAOYSA-N 229.282 4.541 5 30 BJBC Cc1ccc2cc3c(ccc4ccccc43)nc2c1 150064595 HZOOWOTWEWDPLW-UHFFFAOYSA-N 243.309 4.850 5 30 BJBC Cc1ccc2c(ccc3cc4ccccc4nc32)c1 34195628 JYEMBXKCMJUVFF-UHFFFAOYSA-N 243.309 4.850 5 30 BJBC Cc1ccc2nc3ccc4ccccc4c3cc2c1 32264585 JNMYQFUNYDSRDY-UHFFFAOYSA-N 243.309 4.850 5 30 BJBC Cc1c2ccccc2nc2c1ccc1ccccc12 5419479 LZUFUDJVBHLHFC-UHFFFAOYSA-N 243.309 4.850 5 30 BJBC C1=CC=CC(=C/C=C\C=C2C=CC=CC=C2)C=C1 196447132 NQVXZVXDLMNOIL-KTKRTIGZSA-N 232.326 4.760 5 30 BJBC