smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc2ncn(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)c2c1C	ZINC000217740606	568909033	/nfs/dbraw/zinc/90/90/33/568909033.db2.gz	VIVLNZLLLPKUNC-DLBZAZTESA-N	1	0	402.564	2.846	50	70	biogenic	HFIARO
O=C(Cn1cc(-c2ccccc2)ncc1=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000218171031	568476039	/nfs/dbraw/zinc/47/60/39/568476039.db2.gz	RQMFKJDGOPQUFI-UHFFFAOYSA-N	1	0	402.498	2.691	50	70		HFIARO
COc1ccc(S(=O)(=O)N2CCC([NH+]3CCC(OC)CC3)CC2)cc1Cl	ZINC000217795017	568912798	/nfs/dbraw/zinc/91/27/98/568912798.db2.gz	OGYSTVQSPBVIPJ-UHFFFAOYSA-N	1	0	402.944	2.613	50	70		HFIARO
COc1ccc(CNc2c(=O)c(=O)c2NCC2([NH+](C)C)CCCCC2)cc1OC	ZINC000218224126	568476632	/nfs/dbraw/zinc/47/66/32/568476632.db2.gz	CIICRJHCSMXTBR-UHFFFAOYSA-N	1	0	401.507	2.588	50	70		HFIARO
COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(C)cc4)N4CCC[C@H]34)C2O)cc1	ZINC000217565290	568472733	/nfs/dbraw/zinc/47/27/33/568472733.db2.gz	NCPXALZWXBXALK-ANULTFPQSA-N	1	0	404.466	2.839	50	70		HFIARO
COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c1C2	ZINC000217956880	568921049	/nfs/dbraw/zinc/92/10/49/568921049.db2.gz	WPRZBWYTAKIREU-KBXCAEBGSA-N	1	0	410.518	2.992	50	70	biogenic	HFIARO
C[C@H](C(=O)Nc1ccc2c(c1)ncn2CCC[NH+](C)C)n1cnc2ccccc2c1=O	ZINC000218432246	568480334	/nfs/dbraw/zinc/48/03/34/568480334.db2.gz	QSLSPZMLHOUIJP-MRXNPFEDSA-N	1	0	418.501	2.898	50	70		HFIARO
COC1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1	ZINC000217795677	568912886	/nfs/dbraw/zinc/91/28/86/568912886.db2.gz	XPXMKTJFGGJEDQ-UHFFFAOYSA-N	1	0	417.369	2.713	50	70		HFIARO
CC(C)Oc1ccc2nnc(CCCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2n1	ZINC000217669143	568903804	/nfs/dbraw/zinc/90/38/04/568903804.db2.gz	UTZHZDDMODZSPY-ZWKOTPCHSA-N	1	0	414.554	2.615	50	70	biogenic	HFIARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217699234	569039057	/nfs/dbraw/zinc/03/90/57/569039057.db2.gz	MFWGSYNXWRPJDO-FBAVSBLXSA-N	1	0	407.857	2.771	50	70		HFIARO
CC(C)(C)OC(=O)N1CCN(Cc2oc(C[NH+]3CCCCCC3)cc(=O)c2O)CC1	ZINC000218391243	568479737	/nfs/dbraw/zinc/47/97/37/568479737.db2.gz	INSUNGZJXNWWFT-UHFFFAOYSA-N	1	0	421.538	2.774	50	70		HFIARO
COC1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1	ZINC000217799991	568912810	/nfs/dbraw/zinc/91/28/10/568912810.db2.gz	IOQFQAKLWNCAGW-UHFFFAOYSA-N	1	0	406.470	2.969	50	70		HFIARO