smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(S(=O)(=O)F)c1	ZINC001164621667	719112744	/nfs/dbraw/zinc/11/27/44/719112744.db2.gz	AMQYUNLSGCJHGZ-AEFFLSMTSA-N	0	0	433.505	2.627	20	70		IFIDRN
COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164711435	720157502	/nfs/dbraw/zinc/15/75/02/720157502.db2.gz	BTNKSIUVQPACFN-SFHVURJKSA-N	0	0	434.537	2.642	20	70		IFIDRN
O=S(=O)(F)c1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1	ZINC001164913459	721738453	/nfs/dbraw/zinc/73/84/53/721738453.db2.gz	VXOQGGNYEASWPT-SFHVURJKSA-N	0	0	426.464	2.873	20	70		IFIDRN
O=S(=O)(F)c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1	ZINC001164913457	721737968	/nfs/dbraw/zinc/73/79/68/721737968.db2.gz	VXOQGGNYEASWPT-GOSISDBHSA-N	0	0	426.464	2.873	20	70		IFIDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(S(=O)(=O)F)cc4C)CC[C@@H]32)cs1	ZINC001164990804	722186695	/nfs/dbraw/zinc/18/66/95/722186695.db2.gz	RXOMHYJXASIYID-ZWKOTPCHSA-N	0	0	440.566	2.683	20	70		IFIDRN
COC(=O)c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(S(=O)(=O)F)c1	ZINC001164621677	719112469	/nfs/dbraw/zinc/11/24/69/719112469.db2.gz	AMQYUNLSGCJHGZ-WMZOPIPTSA-N	0	0	433.505	2.627	20	70		IFIDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(S(=O)(=O)F)cc4C)CC[C@H]32)cs1	ZINC001164990798	722186689	/nfs/dbraw/zinc/18/66/89/722186689.db2.gz	RXOMHYJXASIYID-QZTJIDSGSA-N	0	0	440.566	2.683	20	70		IFIDRN
COC(=O)c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(S(=O)(=O)F)c1	ZINC001164621669	719112373	/nfs/dbraw/zinc/11/23/73/719112373.db2.gz	AMQYUNLSGCJHGZ-FUHWJXTLSA-N	0	0	433.505	2.627	20	70		IFIDRN
COC[C@H]1CC2(CN1Cc1ccccn1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164711433	720158004	/nfs/dbraw/zinc/15/80/04/720158004.db2.gz	BTNKSIUVQPACFN-GOSISDBHSA-N	0	0	434.537	2.642	20	70		IFIDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncc(S(=O)(=O)F)cc4C)CC[C@H]32)cs1	ZINC001164990791	722186672	/nfs/dbraw/zinc/18/66/72/722186672.db2.gz	RXOMHYJXASIYID-MSOLQXFVSA-N	0	0	440.566	2.683	20	70		IFIDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncc(S(=O)(=O)F)cc4C)CC[C@@H]32)cs1	ZINC001164990802	722186654	/nfs/dbraw/zinc/18/66/54/722186654.db2.gz	RXOMHYJXASIYID-ROUUACIJSA-N	0	0	440.566	2.683	20	70		IFIDRN
COC(=O)c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(S(=O)(=O)F)c1	ZINC001164621673	719112651	/nfs/dbraw/zinc/11/26/51/719112651.db2.gz	AMQYUNLSGCJHGZ-SJLPKXTDSA-N	0	0	433.505	2.627	20	70		IFIDRN