smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)=N/N=C1/NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1	ZINC000005102021	521479704	/nfs/dbraw/zinc/47/97/04/521479704.db2.gz	LKKLTONIVMKMJK-ZDUSSCGKSA-N	-1	2	376.438	2.477	50	30		GEEALM
CCC(CC)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1	ZINC000005102021	521479718	/nfs/dbraw/zinc/47/97/18/521479718.db2.gz	LKKLTONIVMKMJK-ZDUSSCGKSA-N	-1	2	376.438	2.477	50	30		GEEALM
CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000001833494	570269442	/nfs/dbraw/zinc/26/94/42/570269442.db2.gz	QMSBKZXMYULPEJ-UHFFFAOYSA-N	-1	2	399.406	2.061	50	30		GEEALM
C=CCn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c([O-])c2ccccc21	ZINC000006158442	136196869	/nfs/dbraw/zinc/19/68/69/136196869.db2.gz	VVVCNYYPGUAELU-INIZCTEOSA-N	-1	2	381.344	2.271	50	30		GEEALM
Cn1c(=O)c(C(=O)C=Cc2c(=O)[nH]c3ncccc3c2O)c([O-])c2ccccc21	ZINC000100361625	527022684	/nfs/dbraw/zinc/02/26/84/527022684.db2.gz	VYNZZGHOJDNWLH-CMDGGOBGSA-N	-1	2	389.367	2.082	50	30		GEEALM
O=C([O-])c1ccccc1/C=N/N=C1\NC(=O)C(CC(=O)Nc2ccccc2)S1	ZINC000002736170	570296896	/nfs/dbraw/zinc/29/68/96/570296896.db2.gz	WJMHBJYIFMSCCE-PZUDMAOCSA-N	-1	2	396.428	2.335	50	30		GEEALM
O=C([O-])c1ccccc1/C=N/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1	ZINC000002736170	570296899	/nfs/dbraw/zinc/29/68/99/570296899.db2.gz	WJMHBJYIFMSCCE-PZUDMAOCSA-N	-1	2	396.428	2.335	50	30		GEEALM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000005595961	204141184	/nfs/dbraw/zinc/14/11/84/204141184.db2.gz	VEEIEOLUWCJBAU-HMNTXPNISA-N	-1	2	396.355	2.491	50	30		GEEALM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000005595968	204141703	/nfs/dbraw/zinc/14/17/03/204141703.db2.gz	VEEIEOLUWCJBAU-FXBHHXAOSA-N	-1	2	396.355	2.491	50	30		GEEALM
COc1ccccc1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1[nH+]ccn1C	ZINC000012535012	570835398	/nfs/dbraw/zinc/83/53/98/570835398.db2.gz	MWYZHVBLTDSCHV-GOSISDBHSA-N	-1	2	382.445	2.368	50	30		GEEALM
N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2ccccc2C(=O)[O-])c1=O	ZINC000014160683	207012640	/nfs/dbraw/zinc/01/26/40/207012640.db2.gz	FBZUQFQLSNJESF-UHFFFAOYSA-N	-1	2	378.315	2.483	50	30		GEEALM
CCC(CC)=N/N=C1/NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])cc2)S1	ZINC000005102023	521479725	/nfs/dbraw/zinc/47/97/25/521479725.db2.gz	LKKLTONIVMKMJK-CYBMUJFWSA-N	-1	2	376.438	2.477	50	30		GEEALM
CCC(CC)=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1	ZINC000005102023	521479734	/nfs/dbraw/zinc/47/97/34/521479734.db2.gz	LKKLTONIVMKMJK-CYBMUJFWSA-N	-1	2	376.438	2.477	50	30		GEEALM
C=CCn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c([O-])c2ccccc21	ZINC000006158441	534846273	/nfs/dbraw/zinc/84/62/73/534846273.db2.gz	VVVCNYYPGUAELU-MRXNPFEDSA-N	-1	2	381.344	2.271	50	30		GEEALM
O=C([O-])c1ccccc1/C=N/N=C1\NC(=O)C(CC(=O)Nc2ccccc2)S1	ZINC000004680441	570392600	/nfs/dbraw/zinc/39/26/00/570392600.db2.gz	WJMHBJYIFMSCCE-BBJIBYMTSA-N	-1	2	396.428	2.335	50	30		GEEALM
O=C([O-])c1ccccc1/C=N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2)S1	ZINC000004680441	570392607	/nfs/dbraw/zinc/39/26/07/570392607.db2.gz	WJMHBJYIFMSCCE-BBJIBYMTSA-N	-1	2	396.428	2.335	50	30		GEEALM
N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2ccc(C(=O)[O-])cc2)c1=O	ZINC000014160678	221301568	/nfs/dbraw/zinc/30/15/68/221301568.db2.gz	WBCACUINDHZINP-UHFFFAOYSA-N	-1	2	378.315	2.483	50	30		GEEALM
C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000002989857	136196510	/nfs/dbraw/zinc/19/65/10/136196510.db2.gz	DIHMVNYJGULZOR-SFQUDFHCSA-N	-1	2	390.351	2.063	50	30		GEEALM