smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCC[NH3+]	ZINC000001545440	342702910	/nfs/dbraw/zinc/70/29/10/342702910.db2.gz	PLZVEHJLHYMBBY-UHFFFAOYSA-N	1	0	213.409	4.646	50	30		BJEARO
CCCCCCCCCCCCSC(N)=[NH2+]	ZINC000001666821	188273958	/nfs/dbraw/zinc/27/39/58/188273958.db2.gz	KIRRTPIRNCBRPG-UHFFFAOYSA-N	1	0	244.448	4.534	50	30		BJEARO
CCCCCCCCCCCC[N+](C)(C)C	ZINC000001673414	342708066	/nfs/dbraw/zinc/70/80/66/342708066.db2.gz	VICYBMUVWHJEFT-UHFFFAOYSA-N	1	0	228.444	4.614	50	30	in-vivo	BJEARO
CCCCCCCCCCCC[n+]1ccccc1	ZINC000001680863	534983151	/nfs/dbraw/zinc/98/31/51/534983151.db2.gz	FFYRIXSGFSWFAQ-UHFFFAOYSA-N	1	0	248.434	4.895	50	30		BJEARO
CCCCCCC[NH2+]CCCCCCC	ZINC000001724011	188100405	/nfs/dbraw/zinc/10/04/05/188100405.db2.gz	NJWMENBYMFZACG-UHFFFAOYSA-N	1	0	213.409	4.517	50	30		BJEARO
CCCCCCC[NH2+]Cc1ccc(C(C)C)cc1	ZINC000001998622	520057657	/nfs/dbraw/zinc/05/76/57/520057657.db2.gz	GAFOYKDJGKDUTD-UHFFFAOYSA-N	1	0	247.426	4.870	50	30		BJEARO
CCCCCCCC[N+](C)(C)Cc1ccccc1	ZINC000002040110	342715195	/nfs/dbraw/zinc/71/51/95/342715195.db2.gz	SHFLYPPECXRCFO-UHFFFAOYSA-N	1	0	248.434	4.624	50	30		BJEARO
CCCCCCCCCCCCC[NH+](C)C	ZINC000002555244	342723789	/nfs/dbraw/zinc/72/37/89/342723789.db2.gz	ADXNPXDFKKWVGE-UHFFFAOYSA-N	1	0	227.436	4.859	50	30		BJEARO
CCCCCCCCC[N+](CC)(CC)CC	ZINC000002900787	637357604	/nfs/dbraw/zinc/35/76/04/637357604.db2.gz	UCFFYKZBURKKJA-UHFFFAOYSA-N	1	0	228.444	4.614	50	30		BJEARO
C=CCC1([NH2+][C@@H](C)c2ccccc2)CCCCC1	ZINC000003315235	346984351	/nfs/dbraw/zinc/98/43/51/346984351.db2.gz	ZBPULEVGLDAPNQ-HNNXBMFYSA-N	1	0	243.394	4.616	50	30		BJEARO
C=CCC1([NH2+][C@H](C)c2ccccc2)CCCCC1	ZINC000003315237	187299970	/nfs/dbraw/zinc/29/99/70/187299970.db2.gz	ZBPULEVGLDAPNQ-OAHLLOKOSA-N	1	0	243.394	4.616	50	30		BJEARO
Clc1ccc(/N=C/C=C\c2ccccc2)cc1	ZINC000016998619	342918883	/nfs/dbraw/zinc/91/88/83/342918883.db2.gz	ZXZVTWCIZIOXIQ-LUJAEEAZSA-N	1	0	241.721	4.756	50	30		BJEARO
CCC[P+](CCC)(CCC)CCC	ZINC000059379139	385045915	/nfs/dbraw/zinc/04/59/15/385045915.db2.gz	XOGCTUKDUDAZKA-UHFFFAOYSA-N	1	0	203.330	4.644	50	30		BJEARO
CCCCCCCC[NH2+][C@@H](C)c1ccccc1	ZINC000095749517	520037140	/nfs/dbraw/zinc/03/71/40/520037140.db2.gz	LSHWZGDPBDHXBY-HNNXBMFYSA-N	1	0	233.399	4.698	50	30		BJEARO
CCCCCCCC[NH2+][C@H](C)c1ccccc1	ZINC000095749518	520037737	/nfs/dbraw/zinc/03/77/37/520037737.db2.gz	LSHWZGDPBDHXBY-OAHLLOKOSA-N	1	0	233.399	4.698	50	30		BJEARO
CCCCCCCC[NH2+]CCCCCCC	ZINC000100027350	384611268	/nfs/dbraw/zinc/61/12/68/384611268.db2.gz	HAEBNPLWJOGFDQ-UHFFFAOYSA-N	1	0	227.436	4.907	50	30		BJEARO
CCCCCCCC[NH2+]C[C@@H](C)c1ccccc1	ZINC000101759830	520035905	/nfs/dbraw/zinc/03/59/05/520035905.db2.gz	BWPWPGNOKQLCHX-MRXNPFEDSA-N	1	0	247.426	4.740	50	30		BJEARO
CCCCCCCC[NH2+]C[C@H](C)c1ccccc1	ZINC000101759835	520035891	/nfs/dbraw/zinc/03/58/91/520035891.db2.gz	BWPWPGNOKQLCHX-INIZCTEOSA-N	1	0	247.426	4.740	50	30		BJEARO
CCCCCCCC[NH2+]Cc1ccc(CC)cc1	ZINC000102561848	384714596	/nfs/dbraw/zinc/71/45/96/384714596.db2.gz	XRNBGAWRERTTOC-UHFFFAOYSA-N	1	0	247.426	4.699	50	30		BJEARO
CCCCCCCC[NH2+]CC1CCCCC1	ZINC000104090908	520035017	/nfs/dbraw/zinc/03/50/17/520035017.db2.gz	DDJOACKARVRUPN-UHFFFAOYSA-N	1	0	225.420	4.517	50	30		BJEARO
CCCCCCCC[NH2+]C/C=C/c1ccccc1	ZINC000104155292	520036138	/nfs/dbraw/zinc/03/61/38/520036138.db2.gz	PUINGCLHDWQAHU-SDNWHVSQSA-N	1	0	245.410	4.650	50	30		BJEARO
CCCCCCCC[NH2+]Cc1ccc(C)s1	ZINC000104155308	520037894	/nfs/dbraw/zinc/03/78/94/520037894.db2.gz	SXHOWJXYEXZQMC-UHFFFAOYSA-N	1	0	239.428	4.507	50	30		BJEARO
CCCCCCCC[NH2+]Cc1sccc1C	ZINC000105342664	520037877	/nfs/dbraw/zinc/03/78/77/520037877.db2.gz	REMBILJMSCSTCR-UHFFFAOYSA-N	1	0	239.428	4.507	50	30		BJEARO
CC(C)[P+](C(C)C)(C(C)C)C(C)C	ZINC000140055720	368420674	/nfs/dbraw/zinc/42/06/74/368420674.db2.gz	ZAOMFOUCOHZIKK-UHFFFAOYSA-N	1	0	203.330	4.638	50	30		BJEARO