smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)C1	ZINC000014162792	555716719	/nfs/dbraw/zinc/71/67/19/555716719.db2.gz	XFRYPKXPEJXPNU-IBGZPJMESA-N	2	2	466.607	3.392	40	30		JGEBLP
CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)C1	ZINC000014162792	555716720	/nfs/dbraw/zinc/71/67/20/555716720.db2.gz	XFRYPKXPEJXPNU-IBGZPJMESA-N	2	2	466.607	3.392	40	30		JGEBLP
CCOC(=O)[C@H]1CCC[NH+](CC(=O)Nc2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)C1	ZINC000014162792	555716724	/nfs/dbraw/zinc/71/67/24/555716724.db2.gz	XFRYPKXPEJXPNU-IBGZPJMESA-N	2	2	466.607	3.392	40	30		JGEBLP
CCOC(=O)[C@H]1CCC[NH+](CC(=O)Nc2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)C1	ZINC000014162792	555716727	/nfs/dbraw/zinc/71/67/27/555716727.db2.gz	XFRYPKXPEJXPNU-IBGZPJMESA-N	2	2	466.607	3.392	40	30		JGEBLP
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)N1CC[NH+](CCOC)CC1)C2	ZINC000049171744	519345838	/nfs/dbraw/zinc/34/58/38/519345838.db2.gz	IWIKULLWDMLBGX-ZEQRLZLVSA-N	2	2	450.627	3.057	40	30	biogenic,in-vitro	JGEBLP
CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)C1	ZINC000014162788	555716878	/nfs/dbraw/zinc/71/68/78/555716878.db2.gz	XFRYPKXPEJXPNU-LJQANCHMSA-N	2	2	466.607	3.392	40	30		JGEBLP
CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)C1	ZINC000014162788	555716882	/nfs/dbraw/zinc/71/68/82/555716882.db2.gz	XFRYPKXPEJXPNU-LJQANCHMSA-N	2	2	466.607	3.392	40	30		JGEBLP
CCOC(=O)[C@@H]1CCC[NH+](CC(=O)Nc2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)C1	ZINC000014162788	555716884	/nfs/dbraw/zinc/71/68/84/555716884.db2.gz	XFRYPKXPEJXPNU-LJQANCHMSA-N	2	2	466.607	3.392	40	30		JGEBLP
CCOC(=O)[C@@H]1CCC[NH+](CC(=O)Nc2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)C1	ZINC000014162788	555716888	/nfs/dbraw/zinc/71/68/88/555716888.db2.gz	XFRYPKXPEJXPNU-LJQANCHMSA-N	2	2	466.607	3.392	40	30		JGEBLP
N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCN(c3ccccc3)CC2)c1	ZINC000008635965	560106834	/nfs/dbraw/zinc/10/68/34/560106834.db2.gz	DHSCNZPZIUFJEW-JCYRPKCISA-N	2	2	458.610	3.212	40	30	biogenic,in-vitro	JGEBLP
C(=N/CCC[NH+]1CCN(CCC/[NH+]=C/c2ccc3c(c2)OCO3)CC1)\c1ccc2c(c1)OCO2	ZINC000104067866	569840280	/nfs/dbraw/zinc/84/02/80/569840280.db2.gz	YTLGFZCNZPURJH-XUIWWLCJSA-N	2	2	464.566	3.080	40	30		JGEBLP