smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OCc2ccccc2)c1	ZINC000161414515	525292815	/nfs/dbraw/zinc/29/28/15/525292815.db2.gz	NMVNQQUMLSWVAB-KRWDZBQOSA-N	2	1	324.468	4.010	20	70		DIIDMP
C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OCc2ccccc2)c1	ZINC000161414639	525403167	/nfs/dbraw/zinc/40/31/67/525403167.db2.gz	NMVNQQUMLSWVAB-QGZVFWFLSA-N	2	1	324.468	4.010	20	70		DIIDMP
C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2ccccc2F)s1	ZINC000161432551	337584676	/nfs/dbraw/zinc/58/46/76/337584676.db2.gz	PZFOSORZBIHHFI-ZDUSSCGKSA-N	2	1	318.461	4.299	20	70		DIIDMP
C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2ccccc2F)s1	ZINC000161432691	337584694	/nfs/dbraw/zinc/58/46/94/337584694.db2.gz	PZFOSORZBIHHFI-CYBMUJFWSA-N	2	1	318.461	4.299	20	70		DIIDMP
C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(F)cc(F)c1	ZINC000160486719	525401937	/nfs/dbraw/zinc/40/19/37/525401937.db2.gz	LVWYFXSQRPWALI-CYBMUJFWSA-N	2	1	308.416	4.022	20	70		DIIDMP
C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)c(F)c(F)c1	ZINC000159610078	332678267	/nfs/dbraw/zinc/67/82/67/332678267.db2.gz	SXKVPIBBZYRNPY-SNVBAGLBSA-N	2	1	314.395	4.064	20	70		DIIDMP
CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)s1	ZINC000160460112	522231189	/nfs/dbraw/zinc/23/11/89/522231189.db2.gz	KLMJWNLJAWVXKZ-ZDUSSCGKSA-N	2	1	321.534	4.072	20	70		DIIDMP
CCCCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1	ZINC000161510222	337590386	/nfs/dbraw/zinc/59/03/86/337590386.db2.gz	DGZUSYRZJPIXQW-INIZCTEOSA-N	2	1	304.478	4.000	20	70		DIIDMP
C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc2ccccc2o1	ZINC000159957990	338536735	/nfs/dbraw/zinc/53/67/35/338536735.db2.gz	BINIPBSCWAYSEA-OAHLLOKOSA-N	2	1	312.457	4.490	20	70		DIIDMP
CC1(C)Cc2occc2[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1	ZINC000160473156	520587096	/nfs/dbraw/zinc/58/70/96/520587096.db2.gz	HUAGMGXOLYBQSZ-SFHVURJKSA-N	2	1	316.489	4.290	20	70		DIIDMP
C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2ccc(F)cc2)s1	ZINC000161484002	337588361	/nfs/dbraw/zinc/58/83/61/337588361.db2.gz	UOUVZFRFFSHDHX-CYBMUJFWSA-N	2	1	318.461	4.299	20	70		DIIDMP
CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1	ZINC000160473034	520588465	/nfs/dbraw/zinc/58/84/65/520588465.db2.gz	HUAGMGXOLYBQSZ-GOSISDBHSA-N	2	1	316.489	4.290	20	70		DIIDMP
CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1	ZINC000159882439	332722413	/nfs/dbraw/zinc/72/24/13/332722413.db2.gz	PAKVQXRPLDIAMD-OAHLLOKOSA-N	2	1	300.446	4.204	20	70		DIIDMP
Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000161028162	526678555	/nfs/dbraw/zinc/67/85/55/526678555.db2.gz	KNOYUVLQHJDDDB-SNPRPXQTSA-N	2	1	309.523	4.098	20	70		DIIDMP
C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2ccc(F)cc2)s1	ZINC000161483855	337588373	/nfs/dbraw/zinc/58/83/73/337588373.db2.gz	UOUVZFRFFSHDHX-ZDUSSCGKSA-N	2	1	318.461	4.299	20	70		DIIDMP
C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(F)cc(F)c1	ZINC000160486575	525295050	/nfs/dbraw/zinc/29/50/50/525295050.db2.gz	LVWYFXSQRPWALI-ZDUSSCGKSA-N	2	1	308.416	4.022	20	70		DIIDMP
Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000161100764	333807525	/nfs/dbraw/zinc/80/75/25/333807525.db2.gz	JWSOBSVBJVRDKN-QEJZJMRPSA-N	2	1	323.550	4.272	20	70		DIIDMP
CCCCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1	ZINC000161510109	337590346	/nfs/dbraw/zinc/59/03/46/337590346.db2.gz	DGZUSYRZJPIXQW-MRXNPFEDSA-N	2	1	304.478	4.000	20	70		DIIDMP
C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)c(F)c(F)c1	ZINC000159609933	332678323	/nfs/dbraw/zinc/67/83/23/332678323.db2.gz	SXKVPIBBZYRNPY-JTQLQIEISA-N	2	1	314.395	4.064	20	70		DIIDMP
CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)s1	ZINC000160459994	522220986	/nfs/dbraw/zinc/22/09/86/522220986.db2.gz	KLMJWNLJAWVXKZ-CYBMUJFWSA-N	2	1	321.534	4.072	20	70		DIIDMP