smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OCCN(C)C)C2=O)cc1	ZINC000008820125	554706675	/nfs/dbraw/zinc/70/66/75/554706675.db2.gz	NLVHPCARYOXZKE-SDXDJHTJSA-N	0	3	464.609	3.340	40	10		JGCBHN
COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020287312	555755718	/nfs/dbraw/zinc/75/57/18/555755718.db2.gz	YFSCDWMJMPLOES-ZHZULCJRSA-N	0	3	457.531	3.033	40	10		JGCBHN
CN(Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]Cc3ccccc3[O-])O2)no1)Cc1ccccc1	ZINC000096268989	130004179	/nfs/dbraw/zinc/00/41/79/130004179.db2.gz	YHYJXVIEQWCWRM-UCGXPXSYSA-N	0	3	451.567	3.253	40	10	biogenic,in-vitro	JGCBHN
CN(C)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1	ZINC000008820216	554706871	/nfs/dbraw/zinc/70/68/71/554706871.db2.gz	NIPNOZYUOLJNHN-SFQUDFHCSA-N	0	3	475.617	3.306	40	10		JGCBHN
CN(C)CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000008820057	554706504	/nfs/dbraw/zinc/70/65/04/554706504.db2.gz	QIKKTMQRKFZHIA-AQTBWJFISA-N	0	3	450.582	3.282	40	10		JGCBHN
Oc1ccccc1CN1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1	ZINC000225477252	560042804	/nfs/dbraw/zinc/04/28/04/560042804.db2.gz	IGQVRWQTSBCIMN-UHFFFAOYSA-N	0	3	465.623	3.050	40	10	biogenic,in-vitro	JGCBHN
CN(C)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1	ZINC000008820268	521792014	/nfs/dbraw/zinc/79/20/14/521792014.db2.gz	SPGYPMNJIOMPFZ-NBVRZTHBSA-N	0	3	473.576	3.228	40	10		JGCBHN