smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)NC1=Nc2ncccc2N[C@@]12CCCN(C(=O)Cc1c[nH]c3ccccc13)C2	ZINC000097123458	557832501	/nfs/dbraw/zinc/83/25/01/557832501.db2.gz	FUFQAEKCYNZPAZ-RUZDIDTESA-N	0	3	430.556	4.201	10	30		IIEEHN
CC(C)(C)NC1=Nc2ncccc2N[C@]12CCCN(C(=O)Cc1c[nH]c3ccccc13)C2	ZINC000097123461	557832512	/nfs/dbraw/zinc/83/25/12/557832512.db2.gz	FUFQAEKCYNZPAZ-VWLOTQADSA-N	0	3	430.556	4.201	10	30		IIEEHN
CN1CC[C@@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1	ZINC000008816535	556218071	/nfs/dbraw/zinc/21/80/71/556218071.db2.gz	MPFKWZDOHQBWFL-WPMOTLGCSA-N	0	3	441.531	4.418	10	30		IIEEHN
C=CCOC[C@H](O)CN(CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccccc1	ZINC000036147733	518990808	/nfs/dbraw/zinc/99/08/08/518990808.db2.gz	CFFCPQCQEQEPTO-OAQYLSRUSA-N	0	3	441.959	4.307	10	30		IIEEHN
N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(=O)ccc5c4)CC3)c2c1	ZINC000001546681	562922755	/nfs/dbraw/zinc/92/27/55/562922755.db2.gz	JYRQRDDPHJEJCJ-UHFFFAOYSA-N	0	3	426.520	4.291	10	30		IIEEHN
CC(C)(O)C#Cc1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)cc1	ZINC000012429858	562982135	/nfs/dbraw/zinc/98/21/35/562982135.db2.gz	UJUOZKJMZJQSQR-DPPGTGKWSA-N	0	3	448.994	4.400	10	30		IIEEHN
C=CCOC[C@@H](O)CN(CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccccc1	ZINC000036147730	518986874	/nfs/dbraw/zinc/98/68/74/518986874.db2.gz	CFFCPQCQEQEPTO-NRFANRHFSA-N	0	3	441.959	4.307	10	30		IIEEHN