smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(C)c(F)c1)C2	ZINC000014750170	569310632	/nfs/dbraw/zinc/31/06/32/569310632.db2.gz	HZTKTRFTYRWICC-GOSISDBHSA-N	0	3	428.577	3.353	10	30		IGEEHN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(C(F)(F)F)cc1)CC2	ZINC000072133644	518996867	/nfs/dbraw/zinc/99/68/67/518996867.db2.gz	TUWPJXJOQXPPNP-KRWDZBQOSA-N	0	3	426.435	3.179	10	30		IGEEHN
CC1=CC(=O)C(=C2C[C@@H](c3ccc(N4CCNCC4)cc3)Nc3ccccc3N2)C(=O)O1	ZINC000227173365	520850022	/nfs/dbraw/zinc/85/00/22/520850022.db2.gz	ABSJODQZBOWHCP-WZFMIUBLSA-N	0	3	430.508	3.349	10	30		IGEEHN
Fc1ccc(NC(=S)N/N=C2\C3CN4CC2(c2ccccc2)CN(C3)CC4)cc1Cl	ZINC000020510087	526353840	/nfs/dbraw/zinc/35/38/40/526353840.db2.gz	HKWNCLDSDWQUGY-LHLOQNFPSA-N	0	3	443.979	3.321	10	30		IGEEHN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(C(F)(F)F)cc1)CC2	ZINC000072133645	518997557	/nfs/dbraw/zinc/99/75/57/518997557.db2.gz	TUWPJXJOQXPPNP-QGZVFWFLSA-N	0	3	426.435	3.179	10	30		IGEEHN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1c(OC)ccc3ccccc31)CC2	ZINC000072130860	518998660	/nfs/dbraw/zinc/99/86/60/518998660.db2.gz	ULEYNPLLXVAWBZ-OAQYLSRUSA-N	0	3	438.524	3.322	10	30		IGEEHN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1c(OC)ccc3ccccc31)CC2	ZINC000072130859	518995547	/nfs/dbraw/zinc/99/55/47/518995547.db2.gz	ULEYNPLLXVAWBZ-NRFANRHFSA-N	0	3	438.524	3.322	10	30		IGEEHN
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc(C)c(F)c1)C2	ZINC000014750171	569310670	/nfs/dbraw/zinc/31/06/70/569310670.db2.gz	HZTKTRFTYRWICC-SFHVURJKSA-N	0	3	428.577	3.353	10	30		IGEEHN
CC1=CC(=O)C(=C2C[C@H](c3ccc(N4CCNCC4)cc3)Nc3ccccc3N2)C(=O)O1	ZINC000227173369	556685642	/nfs/dbraw/zinc/68/56/42/556685642.db2.gz	ABSJODQZBOWHCP-PZJQAWQVSA-N	0	3	430.508	3.349	10	30		IGEEHN