smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2	ZINC000040374072	205062718	/nfs/dbraw/zinc/06/27/18/205062718.db2.gz	POHMGMFALGPTQS-MHVGAEQCSA-N	0	1	384.520	3.324	1	10		GGCFMN
COC1CCC(C(=O)N[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)CC1	ZINC000027725887	207330135	/nfs/dbraw/zinc/33/01/35/207330135.db2.gz	GCDWKQCGUPMGBR-SZHHJSSISA-N	0	1	395.547	3.212	1	10		GGCFMN
CCCn1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)C[N@@H+](C)[C@@H]1C2	ZINC000029488391	207362860	/nfs/dbraw/zinc/36/28/60/207362860.db2.gz	POHMGMFALGPTQS-UNYZBHEASA-N	0	1	384.520	3.324	1	10		GGCFMN
CCCn1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2	ZINC000029488391	207362865	/nfs/dbraw/zinc/36/28/65/207362865.db2.gz	POHMGMFALGPTQS-UNYZBHEASA-N	0	1	384.520	3.324	1	10		GGCFMN
CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(O)ccc(Cl)c1C2=O	ZINC000029406096	210546058	/nfs/dbraw/zinc/54/60/58/210546058.db2.gz	RCRAWLNFISUQAF-UHFFFAOYSA-N	0	1	379.243	3.448	1	10		GGCFMN
CN(C)CCNc1ccc(O)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O	ZINC000029406232	210546023	/nfs/dbraw/zinc/54/60/23/210546023.db2.gz	PLLMHOCPHOQRBD-UHFFFAOYSA-N	0	1	379.243	3.448	1	10		GGCFMN
CNc1c2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2ncc1Br	ZINC000084618010	136174959	/nfs/dbraw/zinc/17/49/59/136174959.db2.gz	SCRGZHVPJJQKLF-UHFFFAOYSA-N	0	1	388.269	3.266	1	10		GGCFMN
CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc32)C[C@H]1c1ccccc1O	ZINC000084704645	222321260	/nfs/dbraw/zinc/32/12/60/222321260.db2.gz	FZGQCKZLWZZMAW-INIZCTEOSA-N	0	1	378.384	3.210	1	10		GGCFMN
O=C1c2ccccc2C(=O)C12[C@@H](c1cnc[nH]1)CC(=O)C[C@H]2c1ccc(O)cc1	ZINC000045256969	205093750	/nfs/dbraw/zinc/09/37/50/205093750.db2.gz	XPCJTIWXGFOXFM-RBUKOAKNSA-N	0	1	386.407	3.411	1	10		GGCFMN
CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc32)C[C@@H]1c1ccccc1O	ZINC000084704648	205399661	/nfs/dbraw/zinc/39/96/61/205399661.db2.gz	FZGQCKZLWZZMAW-MRXNPFEDSA-N	0	1	378.384	3.210	1	10		GGCFMN
CC(C)c1cc(C(=O)N2Cc3ccc(N4CCN(C)CC4)cc3C2)c(O)cc1O	ZINC000058574727	535359587	/nfs/dbraw/zinc/35/95/87/535359587.db2.gz	YYVAXCVMFDJHBF-UHFFFAOYSA-N	0	1	395.503	3.129	1	10		GGCFMN
Cc1ccc(O)c(Cn2c(=O)c3cc(O)c(O)c(O)c3nc2-c2ccccc2)c1	ZINC000096285599	211331423	/nfs/dbraw/zinc/33/14/23/211331423.db2.gz	SYEGIOUDEHFYQT-UHFFFAOYSA-N	0	1	390.395	3.243	1	10		GGCFMN
Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2	ZINC000103268395	136191027	/nfs/dbraw/zinc/19/10/27/136191027.db2.gz	WYXKJCLEMKQLEU-OAQYLSRUSA-N	0	1	386.467	3.256	1	10		GGCFMN