smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@H](C(=O)N[C@@H]1C=C(C(=O)N[C@@H](Cc2cccs2)C(N)=O)C[C@@H](O)[C@@H]1O)C(C)C	ZINC000003840077	291305666	/nfs/dbraw/zinc/30/56/66/291305666.db2.gz	ZVGZDALYZXFRMK-BPKGMFCQSA-N	1	0	438.550	-0.959	10	0	biogenic	IBAERO
CC(=O)N1CCN(C(=O)C2CC[NH2+]CC2)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O	ZINC000005413382	291304882	/nfs/dbraw/zinc/30/48/82/291304882.db2.gz	OWSSYRIMMJEDRW-RBUKOAKNSA-N	1	0	435.569	-0.014	10	0		IBAERO
COc1cccc(NC(=O)N2CCN(C(=O)C[NH3+])C[C@@H]2C(=O)N[C@H]2CCCNC2=O)c1	ZINC000005433790	291306746	/nfs/dbraw/zinc/30/67/46/291306746.db2.gz	ZDJBHJCUFIPQRW-JKSUJKDBSA-N	1	0	432.481	-0.907	10	0		IBAERO
C[NH2+]Cc1cn(C[C@H]2O[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)[C@H](O)[C@@H]2O)nn1	ZINC000008627141	291305533	/nfs/dbraw/zinc/30/55/33/291305533.db2.gz	XPECFWDLZQIISS-IZZBFERCSA-N	1	0	430.509	-0.774	10	0	biogenic	IBAERO
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CNCCN1C(=O)C1CC[NH2+]CC1	ZINC000012605027	526953125	/nfs/dbraw/zinc/95/31/25/526953125.db2.gz	NYGKTIMGLOCSHM-RTBURBONSA-N	1	0	426.521	-0.520	10	0		IBAERO
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(N)=O	ZINC000013704533	569303822	/nfs/dbraw/zinc/30/38/22/569303822.db2.gz	FEARKJXFXOBPLB-OKZBNKHCSA-N	1	0	447.536	-0.615	10	0		IBAERO
CN(CC(=O)N1CCOCC1)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(C)(=O)=O)c1	ZINC000033033152	556713846	/nfs/dbraw/zinc/71/38/46/556713846.db2.gz	JWVQHYDZZXRDSX-UHFFFAOYSA-N	1	0	439.538	-0.602	10	0		IBAERO
Cn1c2nc(CO)n(C[C@H](O)C[NH+]3CCN(c4ccccc4)CC3)c2c(=O)n(C)c1=O	ZINC000048546250	569258234	/nfs/dbraw/zinc/25/82/34/569258234.db2.gz	ZDPLAQNCDKTECS-MRXNPFEDSA-N	1	0	428.493	-0.891	10	0		IBAERO
Cn1c2nc(CO)n(C[C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)c2c(=O)n(C)c1=O	ZINC000048546253	569258177	/nfs/dbraw/zinc/25/81/77/569258177.db2.gz	ZDPLAQNCDKTECS-INIZCTEOSA-N	1	0	428.493	-0.891	10	0		IBAERO
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(N)=O	ZINC000071774853	569582793	/nfs/dbraw/zinc/58/27/93/569582793.db2.gz	FEARKJXFXOBPLB-SQNIBIBYSA-N	1	0	447.536	-0.615	10	0		IBAERO
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(N)=O	ZINC000071774855	569582781	/nfs/dbraw/zinc/58/27/81/569582781.db2.gz	FEARKJXFXOBPLB-FGTMMUONSA-N	1	0	447.536	-0.615	10	0		IBAERO