smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(C[N@H+](CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420121	378629122	/nfs/dbraw/zinc/62/91/22/378629122.db2.gz	FZYZFRPQXRUDKD-STQMWFEESA-N	1	2	300.380	-0.779	40	10		DBCBLO
Nc1ccc(C[N@@H+](CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420121	378629128	/nfs/dbraw/zinc/62/91/28/378629128.db2.gz	FZYZFRPQXRUDKD-STQMWFEESA-N	1	2	300.380	-0.779	40	10		DBCBLO
Nc1ccc(C[N@H+](CCO)[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575420120	378630109	/nfs/dbraw/zinc/63/01/09/378630109.db2.gz	FZYZFRPQXRUDKD-QWHCGFSZSA-N	1	2	300.380	-0.779	40	10		DBCBLO
Nc1ccc(C[N@@H+](CCO)[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575420120	378630115	/nfs/dbraw/zinc/63/01/15/378630115.db2.gz	FZYZFRPQXRUDKD-QWHCGFSZSA-N	1	2	300.380	-0.779	40	10		DBCBLO
Nc1ccc(C[N@H+](C[C@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575419934	378630084	/nfs/dbraw/zinc/63/00/84/378630084.db2.gz	BAEHRLPLAQZGNA-KBPBESRZSA-N	1	2	314.407	-0.389	40	10		DBCBLO
Nc1ccc(C[N@@H+](C[C@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575419934	378630091	/nfs/dbraw/zinc/63/00/91/378630091.db2.gz	BAEHRLPLAQZGNA-KBPBESRZSA-N	1	2	314.407	-0.389	40	10		DBCBLO
Nc1ccc(C[N@H+](C[C@@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575419937	378629281	/nfs/dbraw/zinc/62/92/81/378629281.db2.gz	BAEHRLPLAQZGNA-ZIAGYGMSSA-N	1	2	314.407	-0.389	40	10		DBCBLO
Nc1ccc(C[N@@H+](C[C@@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575419937	378629284	/nfs/dbraw/zinc/62/92/84/378629284.db2.gz	BAEHRLPLAQZGNA-ZIAGYGMSSA-N	1	2	314.407	-0.389	40	10		DBCBLO
Nc1ccc(C[N@H+](CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575420118	378630038	/nfs/dbraw/zinc/63/00/38/378630038.db2.gz	FZYZFRPQXRUDKD-CHWSQXEVSA-N	1	2	300.380	-0.779	40	10		DBCBLO
Nc1ccc(C[N@@H+](CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575420118	378630045	/nfs/dbraw/zinc/63/00/45/378630045.db2.gz	FZYZFRPQXRUDKD-CHWSQXEVSA-N	1	2	300.380	-0.779	40	10		DBCBLO
Nc1ccc(C[N@H+](C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575419935	378629860	/nfs/dbraw/zinc/62/98/60/378629860.db2.gz	BAEHRLPLAQZGNA-KGLIPLIRSA-N	1	2	314.407	-0.389	40	10		DBCBLO
Nc1ccc(C[N@@H+](C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575419935	378629864	/nfs/dbraw/zinc/62/98/64/378629864.db2.gz	BAEHRLPLAQZGNA-KGLIPLIRSA-N	1	2	314.407	-0.389	40	10		DBCBLO
Nc1ccc(C[N@H+](CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420119	378629314	/nfs/dbraw/zinc/62/93/14/378629314.db2.gz	FZYZFRPQXRUDKD-OLZOCXBDSA-N	1	2	300.380	-0.779	40	10		DBCBLO
Nc1ccc(C[N@@H+](CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420119	378629320	/nfs/dbraw/zinc/62/93/20/378629320.db2.gz	FZYZFRPQXRUDKD-OLZOCXBDSA-N	1	2	300.380	-0.779	40	10		DBCBLO
Nc1ccc(C[N@H+](C[C@@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575419936	378629362	/nfs/dbraw/zinc/62/93/62/378629362.db2.gz	BAEHRLPLAQZGNA-UONOGXRCSA-N	1	2	314.407	-0.389	40	10		DBCBLO
Nc1ccc(C[N@@H+](C[C@@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575419936	378629365	/nfs/dbraw/zinc/62/93/65/378629365.db2.gz	BAEHRLPLAQZGNA-UONOGXRCSA-N	1	2	314.407	-0.389	40	10		DBCBLO