smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)Cc1ccc(-c2cccc(-c3ccc(C[NH+](C)C)cc3)n2)cc1	ZINC000005140477	210398624	/nfs/dbraw/zinc/39/86/24/210398624.db2.gz	RFLWYIRYGCLWPB-UHFFFAOYSA-N	1	3	345.490	4.539	1	0		EJAFHO
N[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040394648	213297748	/nfs/dbraw/zinc/29/77/48/213297748.db2.gz	IYAJPJISYGDBLQ-PAZWHPHWSA-N	1	3	346.518	4.530	1	0		EJAFHO
N[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040394649	213297530	/nfs/dbraw/zinc/29/75/30/213297530.db2.gz	IYAJPJISYGDBLQ-LXDQLMLUSA-N	1	3	346.518	4.530	1	0		EJAFHO
CCC(CC)C[N@H+](Cc1ccccc1C(F)(F)F)C1CCNCC1	ZINC000036093141	213062106	/nfs/dbraw/zinc/06/21/06/213062106.db2.gz	UZCRUMOKTIFCRO-UHFFFAOYSA-N	1	3	342.449	4.696	1	0		EJAFHO
CCC(CC)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCNCC1	ZINC000036093141	213062108	/nfs/dbraw/zinc/06/21/08/213062108.db2.gz	UZCRUMOKTIFCRO-UHFFFAOYSA-N	1	3	342.449	4.696	1	0		EJAFHO
CCC(CC)CN(Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093141	213062109	/nfs/dbraw/zinc/06/21/09/213062109.db2.gz	UZCRUMOKTIFCRO-UHFFFAOYSA-N	1	3	342.449	4.696	1	0		EJAFHO
c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2NCC3)cc1	ZINC000040424044	213303254	/nfs/dbraw/zinc/30/32/54/213303254.db2.gz	JAUSJLJIGYRGJQ-WOLZVPSQSA-N	1	3	346.518	4.544	1	0		EJAFHO
CC[NH+](CC)CCNc1c2ccc(Cl)cc2nc2c1CCCC2	ZINC000169306814	528139410	/nfs/dbraw/zinc/13/94/10/528139410.db2.gz	IMWJWEHLDSAWPA-UHFFFAOYSA-N	1	3	331.891	4.521	1	0		EJAFHO
c1ccc([C@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2NCC3)cc1	ZINC000040753109	213382093	/nfs/dbraw/zinc/38/20/93/213382093.db2.gz	JAUSJLJIGYRGJQ-SSPWFOHLSA-N	1	3	346.518	4.544	1	0		EJAFHO
C[NH2+][C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N=C[C@@]54CC[C@@H]32)C1	ZINC000118921504	221204501	/nfs/dbraw/zinc/20/45/01/221204501.db2.gz	CHMBCKMSXBNZSX-QLPKIABKSA-N	1	3	326.528	4.606	1	0		EJAFHO