smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C(=O)NO)cc1	ZINC000253639500	581097689	/nfs/dbraw/zinc/09/76/89/581097689.db2.gz	GOLRDGXHDIYHCN-SFHVURJKSA-N	1	2	405.476	1.076	1	30		HDEFLO
COc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NO)cc1	ZINC000253639500	581097690	/nfs/dbraw/zinc/09/76/90/581097690.db2.gz	GOLRDGXHDIYHCN-SFHVURJKSA-N	1	2	405.476	1.076	1	30		HDEFLO
CO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3cc[nH+]cc3)cc2)C1	ZINC000003923933	581098428	/nfs/dbraw/zinc/09/84/28/581098428.db2.gz	YVUNEHSVUBACDW-SDLDRHLBSA-N	1	2	406.420	1.145	1	30		HDEFLO
N#Cc1cnc(Nc2cc(N3CCN(CC[NH+]4CCOCC4)CC3)ncn2)s1	ZINC000028569958	581096690	/nfs/dbraw/zinc/09/66/90/581096690.db2.gz	YOARXMDDBVYHOA-UHFFFAOYSA-N	1	2	400.512	1.003	1	30		HDEFLO
N#Cc1cnc(Nc2cc(N3CCN(CCC[NH+]4CCOCC4)CC3)ncn2)s1	ZINC000028570553	581096593	/nfs/dbraw/zinc/09/65/93/581096593.db2.gz	GOEFOVAJSQGKCV-UHFFFAOYSA-N	1	2	414.539	1.393	1	30		HDEFLO
Cc1[nH+]c2ccccn2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1	ZINC000029127202	581091617	/nfs/dbraw/zinc/09/16/17/581091617.db2.gz	YXKKEOGFLPKGED-ZWKOTPCHSA-N	1	2	408.458	1.874	1	30		HDEFLO
COc1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NO)cc1	ZINC000013804586	581097650	/nfs/dbraw/zinc/09/76/50/581097650.db2.gz	GOLRDGXHDIYHCN-GOSISDBHSA-N	1	2	405.476	1.076	1	30		HDEFLO
COc1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NO)cc1	ZINC000013804586	581097651	/nfs/dbraw/zinc/09/76/51/581097651.db2.gz	GOLRDGXHDIYHCN-GOSISDBHSA-N	1	2	405.476	1.076	1	30		HDEFLO
NC(=[NH2+])NC(=O)c1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)c(C(F)(F)F)c1	ZINC000033999019	132227820	/nfs/dbraw/zinc/22/78/20/132227820.db2.gz	SRRHGTUDJFMQIV-UHFFFAOYSA-N	1	2	408.384	1.410	1	30	in-man	HDEFLO