smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(C)[C@@H]1C=C2C=C[C@@H]3[C@H]4CC[C@H]5[C@H](C)[N@H+](C)C[C@]54CC[C@H]3[C@@]2(C)CC1 ZINC000261506602 717179521 /nfs/dbraw/zinc/17/95/21/717179521.db2.gz GGXDVUAOXCBCBN-LSHFIYQUSA-N 2 1 383.644 5.120 1 5 GKBFMP CC[N+](C)(C)[C@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@H]5[C@@H](C)[N@H+](C)C[C@@]54CC[C@@H]3[C@@]2(C)CC1 ZINC000118913571 717150289 /nfs/dbraw/zinc/15/02/89/717150289.db2.gz GGXDVUAOXCBCBN-AUKJSKSSSA-N 2 1 383.644 5.120 1 5 in-man GKBFMP CC[N+](C)(C)[C@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@H+](C)C[C@@]54CC[C@@H]3[C@@]2(C)CC1 ZINC000169290426 717154958 /nfs/dbraw/zinc/15/49/58/717154958.db2.gz GGXDVUAOXCBCBN-YJDZUCMWSA-N 2 1 383.644 5.120 1 5 in-man GKBFMP CC[N+](C)(C)[C@@H]1C=C2C=C[C@@H]3[C@H]4CC[C@H]5[C@@H](C)[N@H+](C)C[C@]54CC[C@H]3[C@@]2(C)CC1 ZINC000261506603 717179440 /nfs/dbraw/zinc/17/94/40/717179440.db2.gz GGXDVUAOXCBCBN-VDKGPWSZSA-N 2 1 383.644 5.120 1 5 GKBFMP CC[N+](C)(C)[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@H]5[C@@H](C)[N@H+](C)C[C@@]54CC[C@@H]3[C@@]2(C)CC1 ZINC000118913572 717150345 /nfs/dbraw/zinc/15/03/45/717150345.db2.gz GGXDVUAOXCBCBN-NESZIOSOSA-N 2 1 383.644 5.120 1 5 in-man GKBFMP CC[N+](C)(C)[C@@H]1C=C2C=C[C@@H]3[C@H]4CC[C@H]5[C@H](C)[N@H+](C)C[C@@]54CC[C@H]3[C@@]2(C)CC1 ZINC000261506600 717179485 /nfs/dbraw/zinc/17/94/85/717179485.db2.gz GGXDVUAOXCBCBN-AMRGRTDNSA-N 2 1 383.644 5.120 1 5 GKBFMP COc1ccc2ccc3c([nH]c4c3c(NCC[NH+](C)C)[nH+]c3ccccc43)c2c1 ZINC000013440376 221268457 /nfs/dbraw/zinc/26/84/57/221268457.db2.gz GOCZKPDHVLYWBI-UHFFFAOYSA-N 2 1 384.483 5.005 1 5 GKBFMP CC[N+](C)(C)[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@H+](C)C[C@@]54CC[C@@H]3[C@@]2(C)CC1 ZINC000005651692 717100254 /nfs/dbraw/zinc/10/02/54/717100254.db2.gz GGXDVUAOXCBCBN-HJZGYWQISA-N 2 1 383.644 5.120 1 5 in-man GKBFMP CC[N+](C)(C)[C@@H]1C=C2C=C[C@@H]3[C@H]4CC[C@H]5[C@@H](C)[N@H+](C)C[C@@]54CC[C@H]3[C@@]2(C)CC1 ZINC000261506601 717179568 /nfs/dbraw/zinc/17/95/68/717179568.db2.gz GGXDVUAOXCBCBN-JYKIFXNKSA-N 2 1 383.644 5.120 1 5 GKBFMP