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(O)cc(-c2nc3ccccc3c(Cc3ccc4n[nH]cc4c3)n2)cc1O	ZINC000058576395	205176701	/nfs/dbraw/zinc/17/67/01/205176701.db2.gz	PRIYYIWBOXUINQ-UHFFFAOYSA-N	-1	3	384.395	3.881	1	10		GHCFHM
C[C@@H]1CCCCN1Cc1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2	ZINC000072142522	205309597	/nfs/dbraw/zinc/30/95/97/205309597.db2.gz	RXMXCZDBFKUQIM-CYBMUJFWSA-N	-1	3	381.428	3.951	1	10		GHCFHM
C[C@H]1CCCCN1Cc1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2	ZINC000072142523	205308010	/nfs/dbraw/zinc/30/80/10/205308010.db2.gz	RXMXCZDBFKUQIM-ZDUSSCGKSA-N	-1	3	381.428	3.951	1	10		GHCFHM
CCC(=O)N[C@@H](c1ccco1)c1cc(Br)c2cccnc2c1[O-]	ZINC000036380875	205015072	/nfs/dbraw/zinc/01/50/72/205015072.db2.gz	FSKZSCFSPFWKPI-OAHLLOKOSA-N	-1	3	375.222	3.912	3	10		GHCFHM
[O-]c1c(O)cc(-c2nc3ccccc3c(Nc3ccc4c(c3)OCO4)n2)cc1O	ZINC000058592729	205177292	/nfs/dbraw/zinc/17/72/92/205177292.db2.gz	FRGHPEOJNITKLR-UHFFFAOYSA-N	-1	3	389.367	3.886	1	10		GHCFHM
CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3cccc(F)c3[O-])C2)ncn1	ZINC000073158180	208033644	/nfs/dbraw/zinc/03/36/44/208033644.db2.gz	RBSBBGZWUIWZIJ-INIZCTEOSA-N	-1	3	387.503	3.856	1	10		GHCFHM
COc1c([O-])c2c(O)cc(-c3ccccc3)oc-2c(CN2CCCCC2)c1=O	ZINC000029127546	207354852	/nfs/dbraw/zinc/35/48/52/207354852.db2.gz	WSAUAZGWQSJXLU-UHFFFAOYSA-N	-1	3	381.428	3.866	1	10		GHCFHM
COc1cc(C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)cc([O-])c1O	ZINC000073200357	208034767	/nfs/dbraw/zinc/03/47/67/208034767.db2.gz	RTSZJCLJIFTCEA-UHFFFAOYSA-N	-1	3	380.356	3.934	1	10		GHCFHM
[O-]c1c(O)cc(-c2nc3ccccc3c(Nc3ccc4c(c3)NCN4)n2)cc1O	ZINC000058591178	207782399	/nfs/dbraw/zinc/78/23/99/207782399.db2.gz	XNPXQQRMXPMRFV-UHFFFAOYSA-N	-1	3	387.399	3.952	1	10		GHCFHM
COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2NC(C)=O)cc([O-])c1O	ZINC000073198662	208034548	/nfs/dbraw/zinc/03/45/48/208034548.db2.gz	DRTNAOHQFUQPBK-UHFFFAOYSA-N	-1	3	392.411	3.984	1	10		GHCFHM
O=C(O[C@@H]1Cc2ccccc2O[C@@H]1c1ccccc1)c1cc(O)c([O-])c(O)c1	ZINC000024215291	207288703	/nfs/dbraw/zinc/28/87/03/207288703.db2.gz	CFGCVSCATFZPPH-TZIWHRDSSA-N	-1	3	378.380	3.705	1	10		GHCFHM
COc1ccc(N2C(=O)c3c(c([O-])cc(OC)c3C)[C@H]2Sc2ncc[nH]2)cc1	ZINC000028950843	207351289	/nfs/dbraw/zinc/35/12/89/207351289.db2.gz	IGTNIAURELZHBM-LJQANCHMSA-N	-1	3	397.456	3.892	1	10		GHCFHM
COc1ccc(N2C(=O)c3c(c([O-])cc(OC)c3C)[C@@H]2Sc2ncc[nH]2)cc1	ZINC000028950842	207351896	/nfs/dbraw/zinc/35/18/96/207351896.db2.gz	IGTNIAURELZHBM-IBGZPJMESA-N	-1	3	397.456	3.892	1	10		GHCFHM
O=C1c2c([O-])cccc2Cc2ccc(CCCc3cc(O)c(O)c(O)c3)c(O)c21	ZINC000013490528	210063140	/nfs/dbraw/zinc/06/31/40/210063140.db2.gz	UXQYMTVYTHZQRQ-UHFFFAOYSA-N	-1	3	392.407	3.525	1	10		GHCFHM
COc1cc2c(c([O-])c1O)C(=O)[C@@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc21	ZINC000001654654	209335711	/nfs/dbraw/zinc/33/57/11/209335711.db2.gz	GDEKEEAROVIPQQ-OXJNMPFZSA-N	-1	3	389.407	3.536	1	10		GHCFHM
O=S(=O)(c1ccccc1)N1N=C(c2ccccc2[O-])C[C@H]1c1ccc(O)cc1	ZINC000045369659	210825175	/nfs/dbraw/zinc/82/51/75/210825175.db2.gz	OCMIHTWLNUIYFA-FQEVSTJZSA-N	-1	3	394.452	3.638	1	10		GHCFHM
Oc1ccc(-n2c(Cc3nnn[n-]3)ccc2-c2ccc(Br)cc2)cc1	ZINC000073293318	222269946	/nfs/dbraw/zinc/26/99/46/222269946.db2.gz	ACUZZBGBPJLPLI-UHFFFAOYSA-N	-1	3	396.248	3.716	1	10		GHCFHM
Oc1ccc(-n2c(Cc3nn[n-]n3)ccc2-c2ccc(Br)cc2)cc1	ZINC000073293318	222269951	/nfs/dbraw/zinc/26/99/51/222269951.db2.gz	ACUZZBGBPJLPLI-UHFFFAOYSA-N	-1	3	396.248	3.716	1	10		GHCFHM
CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Br)ccc1[O-]	ZINC000095563892	211276290	/nfs/dbraw/zinc/27/62/90/211276290.db2.gz	OSFOPSLAHGQODQ-MRXNPFEDSA-N	-1	3	377.213	3.991	1	10		GHCFHM
CCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869272	212192193	/nfs/dbraw/zinc/19/21/93/212192193.db2.gz	ABJGSRDVXYFXBQ-SFHVURJKSA-N	-1	3	384.819	3.938	1	10		GHCFHM
[O-]c1cc(O)ccc1[C@@H]1C(c2ccccc2)=NN=C(c2ccccc2F)N1O	ZINC000000978237	212201377	/nfs/dbraw/zinc/20/13/77/212201377.db2.gz	PFVLFSHQVOXKQN-HXUWFJFHSA-N	-1	3	377.375	3.834	3	10		GHCFHM
CCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869273	212192011	/nfs/dbraw/zinc/19/20/11/212192011.db2.gz	ABJGSRDVXYFXBQ-GOSISDBHSA-N	-1	3	384.819	3.938	1	10		GHCFHM
COc1cc2c(c([O-])c1O)C(=O)[C@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc21	ZINC000001654652	212252625	/nfs/dbraw/zinc/25/26/25/212252625.db2.gz	GDEKEEAROVIPQQ-OXQOHEQNSA-N	-1	3	389.407	3.536	1	10		GHCFHM
COc1cc2c(c([O-])c1O)C(=O)[C@@H]1CCC(=O)N1[C@H]2c1cccc2ccccc21	ZINC000001654653	212251811	/nfs/dbraw/zinc/25/18/11/212251811.db2.gz	GDEKEEAROVIPQQ-JXFKEZNVSA-N	-1	3	389.407	3.536	1	10		GHCFHM