smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2c(cc([O-])cc2O)O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)CC3)O[C@H]2c1ccc(O)cc1	ZINC000003922945	561686022	/nfs/dbraw/zinc/68/60/22/561686022.db2.gz	ISQNBCHHDNWNEQ-TVNVSJRUSA-N	-1	1	526.497	4.885	10	0		KJAEMM
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2	ZINC000003990418	561693376	/nfs/dbraw/zinc/69/33/76/561693376.db2.gz	GWNOTCOIYUNTQP-FQLXRVMXSA-N	-1	1	577.722	4.580	10	0	investigational	KJAEMM
CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)c(C)c1	ZINC000004732310	552473417	/nfs/dbraw/zinc/47/34/17/552473417.db2.gz	RDKHFMSYIAJYJK-UHFFFAOYSA-N	-1	1	506.466	4.704	10	0		KJAEMM
C[NH2+][C@@H](Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-]	ZINC000095543386	562757195	/nfs/dbraw/zinc/75/71/95/562757195.db2.gz	SKPGKNUUUCJGTA-ZDUSSCGKSA-N	-1	1	790.899	4.818	10	0		KJAEMM
C[NH2+][C@H](Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-]	ZINC000095543387	562757201	/nfs/dbraw/zinc/75/72/01/562757201.db2.gz	SKPGKNUUUCJGTA-CYBMUJFWSA-N	-1	1	790.899	4.818	10	0		KJAEMM
COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@H]([C@@H]1C(=O)c3c(O)cc([O-])cc3O[C@@H]1c1ccc(O)cc1)C2=O	ZINC000095913548	553715043	/nfs/dbraw/zinc/71/50/43/553715043.db2.gz	FXONQUVLAQIZDG-GERHYJQASA-N	-1	1	556.523	4.789	10	0	biogenic,in-vitro	KJAEMM
C=C/C=C\C(=C/C)[C@@](NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)[O-])(c1ccccc1)c1ccc(OC)cc1	ZINC000097945830	553774880	/nfs/dbraw/zinc/77/48/80/553774880.db2.gz	HTIOQXZQECJMPN-PGADVURDSA-N	-1	1	729.908	4.824	10	0		KJAEMM
C=C/C=C\C(=C/C)[C@](NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)[O-])(c1ccccc1)c1ccc(OC)cc1	ZINC000097945832	553774911	/nfs/dbraw/zinc/77/49/11/553774911.db2.gz	HTIOQXZQECJMPN-GZAMPTRESA-N	-1	1	729.908	4.824	10	0		KJAEMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O	ZINC000215995978	571591338	/nfs/dbraw/zinc/59/13/38/571591338.db2.gz	SFQAQCHENSXLFJ-UHFFFAOYSA-N	-1	1	518.577	4.795	10	0		KJAEMM
COC(=O)c1ccc(OC(=O)[N-]c2ccn([C@@H]3O[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c(=O)n2)cc1	ZINC000252481902	572261632	/nfs/dbraw/zinc/26/16/32/572261632.db2.gz	CUZHOUYTLXBZAS-FEIGSSFXSA-N	-1	1	719.659	4.804	10	0		KJAEMM
COC(=O)c1ccc(OC(=O)[N-]c2ccn([C@@H]3O[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c(=O)n2)cc1	ZINC000252481903	572261540	/nfs/dbraw/zinc/26/15/40/572261540.db2.gz	CUZHOUYTLXBZAS-LCNNHFSHSA-N	-1	1	719.659	4.804	10	0		KJAEMM
COC(=O)c1ccc(OC(=O)[N-]c2ccn([C@@H]3O[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c(=O)n2)cc1	ZINC000252481904	572261628	/nfs/dbraw/zinc/26/16/28/572261628.db2.gz	CUZHOUYTLXBZAS-OWGRSJDOSA-N	-1	1	719.659	4.804	10	0		KJAEMM
COC(=O)c1ccc(OC(=O)[N-]c2ccn([C@@H]3O[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c(=O)n2)cc1	ZINC000252481905	572261589	/nfs/dbraw/zinc/26/15/89/572261589.db2.gz	CUZHOUYTLXBZAS-UXZFTYNHSA-N	-1	1	719.659	4.804	10	0		KJAEMM