smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(C)c1C[C@H]([NH2+]CC[NH3+])OC(C)(C)C	ZINC000205471738	397616174	/nfs/dbraw/zinc/61/61/74/397616174.db2.gz	VOBQKJQIHCYPHD-OAHLLOKOSA-N	2	2	264.413	2.535	2	0		CFAFLP
COC[C@@H]1CC[N@H+](CCCc2[nH]c3ccc(F)cc3[nH+]2)C1	ZINC000020211445	171074708	/nfs/dbraw/zinc/07/47/08/171074708.db2.gz	REXYOQLSTJQYGA-GFCCVEGCSA-N	2	2	291.370	2.603	1	0		CFAFLP
COC[C@@H]1CC[N@@H+](CCCc2[nH]c3ccc(F)cc3[nH+]2)C1	ZINC000020211445	171074710	/nfs/dbraw/zinc/07/47/10/171074710.db2.gz	REXYOQLSTJQYGA-GFCCVEGCSA-N	2	2	291.370	2.603	1	0		CFAFLP
Nc1nc(-n2cc(-c3ccoc3)c3c[nH+]ccc32)cc[nH+]1	ZINC000095603603	185015116	/nfs/dbraw/zinc/01/51/16/185015116.db2.gz	HQXQQINRSRUUEJ-UHFFFAOYSA-N	2	2	277.287	2.658	1	0		CFAFLP
C[NH+](C)CCC[NH2+]Cc1coc(-c2ccc(F)cc2)n1	ZINC000072183377	176335084	/nfs/dbraw/zinc/33/50/84/176335084.db2.gz	ORNDKSRLSIMSRQ-UHFFFAOYSA-N	2	2	277.343	2.522	1	0		CFAFLP
COC[C@H]1CC[N@H+](CCCc2[nH]c3ccc(F)cc3[nH+]2)C1	ZINC000020211449	171074605	/nfs/dbraw/zinc/07/46/05/171074605.db2.gz	REXYOQLSTJQYGA-LBPRGKRZSA-N	2	2	291.370	2.603	1	0		CFAFLP
COC[C@H]1CC[N@@H+](CCCc2[nH]c3ccc(F)cc3[nH+]2)C1	ZINC000020211449	171074607	/nfs/dbraw/zinc/07/46/07/171074607.db2.gz	REXYOQLSTJQYGA-LBPRGKRZSA-N	2	2	291.370	2.603	1	0		CFAFLP
C[NH+]1CCN(c2[nH+]c3c(c4c2CCCC4)CCCC3)CC1	ZINC000013778645	134690010	/nfs/dbraw/zinc/69/00/10/134690010.db2.gz	JFFVUDWEKNWLBQ-UHFFFAOYSA-N	2	2	285.435	2.591	1	0		CFAFLP
COc1ccc2c(c1)n(CCC[NH+](C)C)c1c2CC[NH+]=C1C	ZINC000040410249	174254596	/nfs/dbraw/zinc/25/45/96/174254596.db2.gz	VUKPSBWDTNCHJB-UHFFFAOYSA-N	2	2	299.418	2.967	1	0		CFAFLP
C[N@@H+]1CC[C@@H]2C[NH2+][C@H](c3ccccc3Br)C[C@@H]21	ZINC000095599985	185015770	/nfs/dbraw/zinc/01/57/70/185015770.db2.gz	OYDHKFCTNSZUCX-SWHYSGLUSA-N	2	2	295.224	2.804	3	0		CFAFLP
C[N@H+]1CC[C@@H]2C[NH2+][C@H](c3ccccc3Br)C[C@@H]21	ZINC000095599985	185015771	/nfs/dbraw/zinc/01/57/71/185015771.db2.gz	OYDHKFCTNSZUCX-SWHYSGLUSA-N	2	2	295.224	2.804	3	0		CFAFLP
CCCn1c(C)[nH+]c2cc3c(cc21)[C@H]1C[C@@H]3C[NH2+]C1	ZINC000028527894	171562378	/nfs/dbraw/zinc/56/23/78/171562378.db2.gz	SPWVDDOSSYRJLM-NEPJUHHUSA-N	2	2	255.365	2.929	1	0		CFAFLP
Cc1cc(-c2ccc3occ(CC[NH3+])c3c2)c[nH+]c1N	ZINC000045228267	175333593	/nfs/dbraw/zinc/33/35/93/175333593.db2.gz	SXTZOVRYOZUSSC-UHFFFAOYSA-N	2	2	267.332	2.887	1	0		CFAFLP
C=CC(=O)NC1=CC=C2[NH+]=CNC(=[NH+]c3cccc(C)c3)[C@H]12	ZINC000040915483	581095212	/nfs/dbraw/zinc/09/52/12/581095212.db2.gz	CWKHHWBULLPWMQ-INIZCTEOSA-N	2	2	292.342	2.547	1	0		CFAFLP
Cc1[nH+]ccn1-c1cc(C)[nH+]c(N(C)Cc2ccccc2)n1	ZINC000040567045	174338000	/nfs/dbraw/zinc/33/80/00/174338000.db2.gz	LSKHYXAQWGXYIY-UHFFFAOYSA-N	2	2	293.374	2.916	1	0		CFAFLP
Cc1cccc(C)c1C[C@@H]([NH2+]CC[NH3+])OC(C)(C)C	ZINC000205471724	397616293	/nfs/dbraw/zinc/61/62/93/397616293.db2.gz	VOBQKJQIHCYPHD-HNNXBMFYSA-N	2	2	264.413	2.535	2	0		CFAFLP
C=CC(=O)NC1=CC=C2[NH+]=CNC(=[NH+]c3cccc(C)c3)[C@@H]12	ZINC000040915481	581095248	/nfs/dbraw/zinc/09/52/48/581095248.db2.gz	CWKHHWBULLPWMQ-MRXNPFEDSA-N	2	2	292.342	2.547	1	0		CFAFLP