smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N1CC[NH2+]C[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000012605035	221214336	/nfs/dbraw/zinc/21/43/36/221214336.db2.gz	BMTUJCRIPNLWAD-HUUCEWRRSA-N	1	2	393.469	-1.086	40	0	biogenic,in-vitro	GAABLO
Cn1nnnc1SC(C(=O)N1CCN(C)CC1)C(=O)N1CC[NH+](C)CC1	ZINC000016363625	221362155	/nfs/dbraw/zinc/36/21/55/221362155.db2.gz	MUQVWSGCODYZFL-UHFFFAOYSA-N	1	2	382.494	-1.781	40	0		GAABLO
COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccccn2)CC1	ZINC000020465595	136202678	/nfs/dbraw/zinc/20/26/78/136202678.db2.gz	HJCDHDCGTMVKQC-IDCJVQTKSA-N	1	2	380.445	-1.545	40	0	biogenic,in-vitro	GAABLO
CS(=O)(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccccn2)CC1	ZINC000020465616	136202694	/nfs/dbraw/zinc/20/26/94/136202694.db2.gz	GWLJGVQJVVVCID-BFJAYTPKSA-N	1	2	386.474	-1.758	40	0	biogenic,in-vitro	GAABLO
CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCC[NH+]2CCOCC2)[C@H](O)[C@@H]1O	ZINC000020504099	560093765	/nfs/dbraw/zinc/09/37/65/560093765.db2.gz	XDUZMCMPCPRWDP-LQKXBSAESA-N	1	2	388.465	-1.978	40	0	biogenic,in-vitro	GAABLO
CN(C)C(=O)CN1C[C@@]23C[N@@H+](Cc4cnn(C)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3	ZINC000096146110	570213838	/nfs/dbraw/zinc/21/38/38/570213838.db2.gz	SJISJNYSNHNNFI-YCPHGPKFSA-N	1	2	383.474	-1.134	40	0		GAABLO
CN(C)C(=O)CN1C[C@@]23C[N@H+](Cc4cnn(C)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3	ZINC000096146110	570213835	/nfs/dbraw/zinc/21/38/35/570213835.db2.gz	SJISJNYSNHNNFI-YCPHGPKFSA-N	1	2	383.474	-1.134	40	0		GAABLO
CC(=O)NC[C@@]1(O)COCC[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1	ZINC000257283493	209065913	/nfs/dbraw/zinc/06/59/13/209065913.db2.gz	OYORDDMWHMGLEC-KRWDZBQOSA-N	1	2	377.401	-1.006	40	0		GAABLO
CC(=O)NC[C@@]1(O)COCC[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1	ZINC000257283493	209065908	/nfs/dbraw/zinc/06/59/08/209065908.db2.gz	OYORDDMWHMGLEC-KRWDZBQOSA-N	1	2	377.401	-1.006	40	0		GAABLO
CC(=O)NC[C@]1(O)COCC[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1	ZINC000257283494	209066998	/nfs/dbraw/zinc/06/69/98/209066998.db2.gz	OYORDDMWHMGLEC-QGZVFWFLSA-N	1	2	377.401	-1.006	40	0		GAABLO
CC(=O)NC[C@]1(O)COCC[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1	ZINC000257283494	209066995	/nfs/dbraw/zinc/06/69/95/209066995.db2.gz	OYORDDMWHMGLEC-QGZVFWFLSA-N	1	2	377.401	-1.006	40	0		GAABLO
O=C(NCC[NH+]1CCOCC1)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	ZINC000257304530	209072401	/nfs/dbraw/zinc/07/24/01/209072401.db2.gz	SMBRSVZLTVABJZ-ANYOLZDRSA-N	1	2	391.446	-3.838	40	0		GAABLO
CC(=O)N1CC[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585291291	570259771	/nfs/dbraw/zinc/25/97/71/570259771.db2.gz	NBLKQUNMIUZXCW-SJORKVTESA-N	1	2	383.470	-1.053	40	0		GAABLO