smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)/C=C(\C(=O)OC)N(O)C(=O)CN1C(=O)c2ccccc2C1=O	ZINC000005618864	204218660	/nfs/dbraw/zinc/21/86/60/204218660.db2.gz	ZFNUOOCPVBLDMR-YRNVUSSQSA-N	0	1	362.294	-0.270	40	30		FBEBMN
O=C1Nc2ccccc2/C1=N\NC(=S)NC=C1C(=O)NC(=O)NC1=O	ZINC000008665294	483428022	/nfs/dbraw/zinc/42/80/22/483428022.db2.gz	BJKWMMUMGVWSJN-UHFFFAOYSA-N	0	1	358.339	-0.943	40	30		FBEBMN
COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1O	ZINC000012483833	220000334	/nfs/dbraw/zinc/00/03/34/220000334.db2.gz	XRCGGCWBYTYPPG-DGXTUMSLSA-N	0	1	362.386	-0.231	40	30	biogenic,in-vitro	FBEBMN
C=CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(N[C@H]2CCC(N)=O)c2ccccc2NC1=O	ZINC000016026456	210146323	/nfs/dbraw/zinc/14/63/23/210146323.db2.gz	JGTYMOHQNZJJJV-VFSPDHHESA-N	0	1	368.393	-0.142	40	30		FBEBMN
C=CCN1C(=O)[C@H]2[C@@H](CCC(N)=O)N[C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000016026457	210146774	/nfs/dbraw/zinc/14/67/74/210146774.db2.gz	JGTYMOHQNZJJJV-CTYUOQFJSA-N	0	1	368.393	-0.142	40	30		FBEBMN
COC(=O)/C=C(/C(=O)OC)N(O)C(=O)CN1C(=O)c2ccccc2C1=O	ZINC000017142539	220207901	/nfs/dbraw/zinc/20/79/01/220207901.db2.gz	ZFNUOOCPVBLDMR-XFFZJAGNSA-N	0	1	362.294	-0.270	40	30		FBEBMN
Cn1c(N)c(C=NNc2nn3cnnc3c3ccccc32)c(=O)n(C)c1=O	ZINC000033386644	483897023	/nfs/dbraw/zinc/89/70/23/483897023.db2.gz	UVSWWFMKIMSKTF-WSVATBPTSA-N	0	1	365.357	-0.297	40	30		FBEBMN
N#Cc1cccc(CN[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)c1	ZINC000077265060	484597679	/nfs/dbraw/zinc/59/76/79/484597679.db2.gz	WHZYLGJNCAGDPQ-ZACQAIPSSA-N	0	1	360.414	-0.182	40	30	biogenic,in-vitro	FBEBMN
C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)N[C@]21c2ccccc2NC1=O	ZINC000101232420	222266511	/nfs/dbraw/zinc/26/65/11/222266511.db2.gz	JGTYMOHQNZJJJV-NFWAQSGPSA-N	0	1	368.393	-0.142	40	30		FBEBMN