smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(C2=NN[C@H](c3ccc(Cl)cc3Cl)C2)ccc2ccccc21	ZINC000004169976	204124583	/nfs/dbraw/zinc/12/45/83/204124583.db2.gz	PNJUUUNRFPGTPO-KRWDZBQOSA-N	-1	3	357.240	5.291	1	10		FKCFHM
[O-]c1c(C2=NN[C@@H](c3ccc(Cl)cc3Cl)C2)ccc2ccccc21	ZINC000004169982	210512554	/nfs/dbraw/zinc/51/25/54/210512554.db2.gz	PNJUUUNRFPGTPO-QGZVFWFLSA-N	-1	3	357.240	5.291	1	10		FKCFHM
CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)c1cc(O)c([O-])c(O)c1	ZINC000013513078	220070815	/nfs/dbraw/zinc/07/08/15/220070815.db2.gz	ICCHAXTXJXQCRL-BTMZFSHUSA-N	-1	3	374.477	5.379	1	10		FKCFHM
O=C1C=C([N+](=O)[O-])c2ccccc2C1=NNc1c([O-])ccc2ccccc21	ZINC000013864584	211063749	/nfs/dbraw/zinc/06/37/49/211063749.db2.gz	WHGVDNGKHQECSW-QURGRASLSA-N	-1	3	359.341	5.728	1	10		FKCFHM
O=C([O-])/C=C/C=C/c1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000026935305	204856534	/nfs/dbraw/zinc/85/65/34/204856534.db2.gz	ZCAHIXFFORBBGS-VIKAGGQVSA-N	-1	3	366.420	5.786	1	10		FKCFHM
Cc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)Oc2ccccc2)cc1	ZINC000096937648	222143914	/nfs/dbraw/zinc/14/39/14/222143914.db2.gz	FCXZXEWDBADHAJ-NRFANRHFSA-N	-1	3	372.424	5.051	1	10		FKCFHM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Cl)ccc1[O-]	ZINC000100629521	222247457	/nfs/dbraw/zinc/24/74/57/222247457.db2.gz	YQOPJLDMZCYSQH-FQEVSTJZSA-N	-1	3	368.864	5.917	1	10		FKCFHM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(Cl)ccc1[O-]	ZINC000100629523	209216594	/nfs/dbraw/zinc/21/65/94/209216594.db2.gz	YQOPJLDMZCYSQH-HXUWFJFHSA-N	-1	3	368.864	5.917	1	10		FKCFHM
C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c([O-])c(C=O)c1O	ZINC000101392374	209224882	/nfs/dbraw/zinc/22/48/82/209224882.db2.gz	VGSQRECMCPQJNS-MDLVQSFPSA-N	-1	3	358.478	5.262	1	10		FKCFHM
C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c([O-])c(C=O)c1O	ZINC000101392377	222272738	/nfs/dbraw/zinc/27/27/38/222272738.db2.gz	VGSQRECMCPQJNS-JBWGREPBSA-N	-1	3	358.478	5.262	1	10		FKCFHM
COC(=O)c1cc(O)c([O-])c(C[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]23)c1	ZINC000103240708	209250061	/nfs/dbraw/zinc/25/00/61/209250061.db2.gz	VXQUGYOYJDITTO-KNSMUJDWSA-N	-1	3	372.505	5.226	1	10		FKCFHM
O=C([O-])/C=C/C=C\c1cccc(Nc2c3ccccc3nc3ccccc32)c1	ZINC000111464178	209331956	/nfs/dbraw/zinc/33/19/56/209331956.db2.gz	UKLHUIWGVNJKIX-GSDYDIRISA-N	-1	3	366.420	5.786	1	10		FKCFHM
CC[C@@H](C(=O)[O-])c1ccc(Nc2c3ccccc3nc3c(C)cccc32)cc1	ZINC000169322384	206250969	/nfs/dbraw/zinc/25/09/69/206250969.db2.gz	RVMAZKUAYXGDAB-GOSISDBHSA-N	-1	3	370.452	6.018	1	10		FKCFHM
Cc1cccc2c1nc1ccccc1c2Nc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000169322387	206250284	/nfs/dbraw/zinc/25/02/84/206250284.db2.gz	UPMJDLBKWRLIKX-HNNXBMFYSA-N	-1	3	372.424	5.292	1	10		FKCFHM
Cc1cccc2c1nc1ccccc1c2Nc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000169322389	206250220	/nfs/dbraw/zinc/25/02/20/206250220.db2.gz	UPMJDLBKWRLIKX-OAHLLOKOSA-N	-1	3	372.424	5.292	1	10		FKCFHM
Cc1ccc(C)c([C@H](Nc2ccccc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000095564617	209080995	/nfs/dbraw/zinc/08/09/95/209080995.db2.gz	TVPCDBKWPDJXDZ-XMMPIXPASA-N	-1	3	368.480	6.067	3	10		FKCFHM
[O-]c1cc2c(cc1O)[nH]c1ccc3c4ccc(Br)cc4[nH]c3c12	ZINC000096934376	210240167	/nfs/dbraw/zinc/24/01/67/210240167.db2.gz	TYGUTURXHKSOBP-UHFFFAOYSA-N	-1	3	367.202	5.129	3	10		FKCFHM
[O-]c1cc2[nH]c3ccc4c5ccc(Br)cc5[nH]c4c3c2cc1O	ZINC000096934376	210240164	/nfs/dbraw/zinc/24/01/64/210240164.db2.gz	TYGUTURXHKSOBP-UHFFFAOYSA-N	-1	3	367.202	5.129	3	10		FKCFHM