smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH2+][C@H](C(=O)NCCO)C2)cc1	ZINC000257208689	352385025	/nfs/dbraw/zinc/38/50/25/352385025.db2.gz	BNFPNLBHYJZNTQ-ZDUSSCGKSA-N	1	0	279.340	-0.418	40	10		CBCBRO
Cn1c(=O)cc(NC=Cc2cc[n+](C)cc2)n(C)c1=O	ZINC000001706575	169746590	/nfs/dbraw/zinc/74/65/90/169746590.db2.gz	ITYACXCPXHRQBF-UHFFFAOYSA-O	1	0	273.316	-0.009	40	10		CBCBRO
Nc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575420074	354935244	/nfs/dbraw/zinc/93/52/44/354935244.db2.gz	FGDQMNWHIAQQKX-WDEREUQCSA-N	1	0	256.327	-0.484	40	10		CBCBRO
Nc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575420071	354935148	/nfs/dbraw/zinc/93/51/48/354935148.db2.gz	FGDQMNWHIAQQKX-GHMZBOCLSA-N	1	0	256.327	-0.484	40	10		CBCBRO
Nc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420072	354935169	/nfs/dbraw/zinc/93/51/69/354935169.db2.gz	FGDQMNWHIAQQKX-MNOVXSKESA-N	1	0	256.327	-0.484	40	10		CBCBRO
Nc1ccc(C[NH2+]CCN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575423207	354936022	/nfs/dbraw/zinc/93/60/22/354936022.db2.gz	ZHQVDQXYAXCCKQ-STQMWFEESA-N	1	0	299.396	-0.894	40	10		CBCBRO
Nc1ccc(C[NH2+]CCN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575423205	354936275	/nfs/dbraw/zinc/93/62/75/354936275.db2.gz	ZHQVDQXYAXCCKQ-OLZOCXBDSA-N	1	0	299.396	-0.894	40	10		CBCBRO
COc1ccc(N2CC[NH2+][C@@H](C(=O)NCCO)C2)cc1	ZINC000257208688	352385663	/nfs/dbraw/zinc/38/56/63/352385663.db2.gz	BNFPNLBHYJZNTQ-CYBMUJFWSA-N	1	0	279.340	-0.418	40	10		CBCBRO
CC1(C)[C@H]2CC[C@]1(C(=O)N1CC[NH2+]CC1)C(=O)C2=O	ZINC000103697745	351788007	/nfs/dbraw/zinc/78/80/07/351788007.db2.gz	SCGFXIWFJNSUCW-LKFCYVNXSA-N	1	0	264.325	-0.007	40	10		CBCBRO
CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CC[NH2+]CC1)C(=O)C2=O	ZINC000103697747	351787841	/nfs/dbraw/zinc/78/78/41/351787841.db2.gz	SCGFXIWFJNSUCW-OTYXRUKQSA-N	1	0	264.325	-0.007	40	10		CBCBRO
Nc1ccc(C[NH2+]CCN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575423204	354936143	/nfs/dbraw/zinc/93/61/43/354936143.db2.gz	ZHQVDQXYAXCCKQ-CHWSQXEVSA-N	1	0	299.396	-0.894	40	10		CBCBRO
Nc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575420073	354935525	/nfs/dbraw/zinc/93/55/25/354935525.db2.gz	FGDQMNWHIAQQKX-QWRGUYRKSA-N	1	0	256.327	-0.484	40	10		CBCBRO
Nc1ccc(C[NH2+]CCN[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575423206	354935987	/nfs/dbraw/zinc/93/59/87/354935987.db2.gz	ZHQVDQXYAXCCKQ-QWHCGFSZSA-N	1	0	299.396	-0.894	40	10		CBCBRO