smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C[NH+]1CCSCC1	ZINC000026166208	202139881	/nfs/dbraw/zinc/13/98/81/202139881.db2.gz	LIDCCPLQDDNRQP-SFHVURJKSA-N	1	2	348.512	2.797	1	10		EFCFLO
CC(C)OCc1cc(CN2CC[NH+](C)CC2)c(O)c2ncccc12	ZINC000020439874	212128995	/nfs/dbraw/zinc/12/89/95/212128995.db2.gz	DJZCQWXUWVBXPE-UHFFFAOYSA-N	1	2	329.444	2.613	1	10		EFCFLO
Oc1cc(C[NH+]2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1[18F]	ZINC000102906356	219241009	/nfs/dbraw/zinc/24/10/09/219241009.db2.gz	SXICCGPFVRVNMD-LRFGSCOBSA-N	1	2	343.389	2.625	1	10		EFCFLO
Oc1cc(C[NH+]2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1F	ZINC000073158005	216358748	/nfs/dbraw/zinc/35/87/48/216358748.db2.gz	SXICCGPFVRVNMD-UHFFFAOYSA-N	1	2	344.386	2.625	1	10		EFCFLO
CC[NH+](CC)CC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O	ZINC000072106806	216009699	/nfs/dbraw/zinc/00/96/99/216009699.db2.gz	MFKSJGDLVBJUHB-UHFFFAOYSA-N	1	2	342.420	2.804	1	10		EFCFLO
C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1O	ZINC000028392727	202170254	/nfs/dbraw/zinc/17/02/54/202170254.db2.gz	AGDCSEZEBUOTSS-UHFFFAOYSA-N	1	2	331.328	2.883	1	10		EFCFLO
C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1O	ZINC000028392727	202170258	/nfs/dbraw/zinc/17/02/58/202170258.db2.gz	AGDCSEZEBUOTSS-UHFFFAOYSA-N	1	2	331.328	2.883	1	10		EFCFLO
COc1cc2c(cc1OC)[C@H]1Cc3ccc(O)c(O)c3C[N@H+]1CC2	ZINC000013484850	201056849	/nfs/dbraw/zinc/05/68/49/201056849.db2.gz	SUHDGQSJNMIRRN-OAHLLOKOSA-N	1	2	327.380	2.771	1	10		EFCFLO
COc1ccc2c(c1O)C[N@H+]1CCc3cc(O)c(OC)cc3[C@@H]1C2	ZINC000031516413	201068476	/nfs/dbraw/zinc/06/84/76/201068476.db2.gz	XFXUXIQZJARYEF-HNNXBMFYSA-N	1	2	327.380	2.771	1	10		EFCFLO
COc1ccc2c(c1O)C[N@@H+]1CCc3cc(O)c(OC)cc3[C@@H]1C2	ZINC000031516413	201068478	/nfs/dbraw/zinc/06/84/78/201068478.db2.gz	XFXUXIQZJARYEF-HNNXBMFYSA-N	1	2	327.380	2.771	1	10		EFCFLO
C[NH+](C)Cc1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000040916104	213399853	/nfs/dbraw/zinc/39/98/53/213399853.db2.gz	ICSYRRPMGFFPSY-UHFFFAOYSA-N	1	2	327.336	2.638	1	10		EFCFLO