smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@H+](C1CCC1)C1CC1	217653516	571906786	/nfs/dbraw/zinc/90/67/86/571906786.db2.gz	ZEDIDNDZQONDGY-UHFFFAOYSA-N	1	1	167.296	2.803	10	70		AFIEMO
CCC(CC)[C@@H]1CC[N@@H+](CC)C1	217963204	573221561	/nfs/dbraw/zinc/22/15/61/573221561.db2.gz	ASVHUGRECGLUQS-LLVKDONJSA-N	1	1	169.312	2.764	10	70		AFIEMO
C[C@@H]1CCC[N@H+]1CCc1ccccc1	218234824	490070190	/nfs/dbraw/zinc/07/01/90/490070190.db2.gz	STDYDEOJIWMEPC-GFCCVEGCSA-N	1	1	189.302	2.713	10	70		AFIEMO
FC1=CCC[N@H+](Cc2ccccc2)C1	218345582	490070267	/nfs/dbraw/zinc/07/02/67/490070267.db2.gz	BWCVSBGDYUKDGV-UHFFFAOYSA-N	1	1	191.249	2.746	10	70		AFIEMO
FC1=CCC[N@@H+](Cc2ccccc2)C1	218345582	490070268	/nfs/dbraw/zinc/07/02/68/490070268.db2.gz	BWCVSBGDYUKDGV-UHFFFAOYSA-N	1	1	191.249	2.746	10	70		AFIEMO
Cc1ccc(N[C@H](C)C2CCC2)[nH+]c1	160062178	344157496	/nfs/dbraw/zinc/15/74/96/344157496.db2.gz	PUKONUKMYFMFGI-SNVBAGLBSA-N	1	1	190.290	2.991	10	70		AFIEMO
CCCc1[nH+]ccn1CCSCC	160238142	344160469	/nfs/dbraw/zinc/16/04/69/344160469.db2.gz	GCRLJURYUUXMHR-UHFFFAOYSA-N	1	1	198.335	2.589	10	70		AFIEMO
CCSCCn1cc[nH+]c1C(C)C	160399177	344164538	/nfs/dbraw/zinc/16/45/38/344164538.db2.gz	BYSRFVNRFOFTIC-UHFFFAOYSA-N	1	1	198.335	2.760	10	70		AFIEMO
CCCC[N@H+]1C[C@@H](C)C[C@@H]1CC	217354341	344401230	/nfs/dbraw/zinc/40/12/30/344401230.db2.gz	HMQAUPMAKCCBSY-QWRGUYRKSA-N	1	1	169.312	2.907	10	70		AFIEMO
CCCC[N@H+]1C[C@H](C)C[C@@H]1CC	217354248	344401326	/nfs/dbraw/zinc/40/13/26/344401326.db2.gz	HMQAUPMAKCCBSY-MNOVXSKESA-N	1	1	169.312	2.907	10	70		AFIEMO