smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)C[C@H]1CCC[N@+]1([O-])C3	ZINC000253723947	717168242	/nfs/dbraw/zinc/16/82/42/717168242.db2.gz	YGBVKYSGPYHGGR-PWECECGKSA-N	0	0	409.482	4.561	1	5		HJBFRN
C[N+](C)(CCCCCc1ccc(-c2ccccc2)cc1)CCCCS(=O)(=O)[O-]	ZINC000026576112	717114289	/nfs/dbraw/zinc/11/42/89/717114289.db2.gz	XPCLHFQZYFKTAI-UHFFFAOYSA-O	0	0	404.596	4.811	1	5	in-vivo	HJBFRN
CC(C)=CCOc1c(C)cc2oc3c(C[C@H]4OC4(C)C)ccc(O)c3c(=O)c2c1CO	ZINC000014827614	560226933	/nfs/dbraw/zinc/22/69/33/560226933.db2.gz	ROWGCYHEZVANDZ-LJQANCHMSA-N	0	0	424.493	4.517	1	5	in-vitro	HJBFRN
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)C[N+]1([O-])CCC[C@@H]1C3	ZINC000035968573	717125299	/nfs/dbraw/zinc/12/52/99/717125299.db2.gz	DMXRQESJIQTZCZ-SUUGVPPDSA-N	0	0	409.482	4.561	1	5		HJBFRN
COc1c(O)c(CC=C(C)C)cc2c(=O)c3c(O)c4c(cc3oc21)O[C@H](C)C4(C)C	ZINC000015256084	291276247	/nfs/dbraw/zinc/27/62/47/291276247.db2.gz	NHUUFIXWOHZWLZ-GFCCVEGCSA-N	0	0	410.466	4.933	1	5	biogenic,in-vitro	HJBFRN
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)C[N+]1([O-])CCC[C@H]1C3	ZINC000085949638	717137434	/nfs/dbraw/zinc/13/74/34/717137434.db2.gz	DMXRQESJIQTZCZ-GQBYZMJGSA-N	0	0	409.482	4.561	1	5		HJBFRN
COc1c(O)cc(CC=C(C)C)c2c(=O)c3c(O)cc4c(c3oc12)C(C)(C)[C@@H](C)O4	ZINC000013382725	291276271	/nfs/dbraw/zinc/27/62/71/291276271.db2.gz	DNRJSJQWXWNVSH-GFCCVEGCSA-N	0	0	410.466	4.933	1	5	biogenic,in-vitro	HJBFRN
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)C[N@@+]1([O-])CCC[C@@H]1C3	ZINC000257407204	717177869	/nfs/dbraw/zinc/17/78/69/717177869.db2.gz	DMXRQESJIQTZCZ-PWECECGKSA-N	0	0	409.482	4.561	1	5		HJBFRN
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)C[C@@H]1CCC[N+]1([O-])C3	ZINC000014824785	717111396	/nfs/dbraw/zinc/11/13/96/717111396.db2.gz	JJGAPUUIERNMBQ-GQBYZMJGSA-N	0	0	409.482	4.561	1	5		HJBFRN
CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCCC[N+](C)(C)Cc1ccccc1)C(=O)[O-]	ZINC000036338439	717124998	/nfs/dbraw/zinc/12/49/98/717124998.db2.gz	OFXLNPOJWCZAOJ-NCJDQSJGSA-O	0	0	415.598	4.734	1	5		HJBFRN
CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCCC[N+](C)(C)Cc1ccccc1)C(=O)[O-]	ZINC000036338440	717125252	/nfs/dbraw/zinc/12/52/52/717125252.db2.gz	OFXLNPOJWCZAOJ-YVUGPFRESA-O	0	0	415.598	4.734	1	5		HJBFRN
COc1cc2oc3cc4c(c(O)c3c(=O)c2c2c1OC(C)(C)CC2)C=CC(C)(C)O4	ZINC000014766828	291277180	/nfs/dbraw/zinc/27/71/80/291277180.db2.gz	KPEKAHVOTOEHJF-UHFFFAOYSA-N	0	0	408.450	4.948	1	5	endogenous,in-man	HJBFRN
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)C[C@H]1CCC[N+]1([O-])C3	ZINC000135687481	717150882	/nfs/dbraw/zinc/15/08/82/717150882.db2.gz	JJGAPUUIERNMBQ-SUUGVPPDSA-N	0	0	409.482	4.561	1	5		HJBFRN
CC(C)=CCOc1c(C)cc2oc3c(C[C@@H]4OC4(C)C)ccc(O)c3c(=O)c2c1CO	ZINC000014827612	560226993	/nfs/dbraw/zinc/22/69/93/560226993.db2.gz	ROWGCYHEZVANDZ-IBGZPJMESA-N	0	0	424.493	4.517	1	5	in-vitro	HJBFRN
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)C[C@H]1CCC[N+]1([O-])C3	ZINC000014824716	717111395	/nfs/dbraw/zinc/11/13/95/717111395.db2.gz	YGBVKYSGPYHGGR-SUUGVPPDSA-N	0	0	409.482	4.561	1	5		HJBFRN
COC(C)(C)CCc1ccc(O)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c12	ZINC000014781086	291275759	/nfs/dbraw/zinc/27/57/59/291275759.db2.gz	CLDJJUOXMZUESE-UHFFFAOYSA-N	0	0	412.482	4.929	1	5	biogenic,in-vitro	HJBFRN
CC[N+]([O-])(CC)CCn1nc2c3c1ccc(CO)c3sc1cc(Cl)ccc21	ZINC000034778488	717124500	/nfs/dbraw/zinc/12/45/00/717124500.db2.gz	QDBKUTUYPSNUHG-UHFFFAOYSA-N	0	0	403.935	4.904	1	5		HJBFRN