smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H]1c2cc(C#Cc3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CCN1C	ZINC000072110099	212058928	/nfs/dbraw/zinc/05/89/28/212058928.db2.gz	FJOUDIDTJYMKBN-VWLOTQADSA-N	1	3	381.523	4.709	1	30		GJEFHO
CC(C)[C@@H]1c2cc(C#Cc3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CCN1C	ZINC000072110098	212056925	/nfs/dbraw/zinc/05/69/25/212056925.db2.gz	FJOUDIDTJYMKBN-RUZDIDTESA-N	1	3	381.523	4.709	1	30		GJEFHO
C[NH+](C)[C@@H]1CCc2c1cccc2C#Cc1ccc2c(Cl)c(CN)sc2c1	ZINC000072109919	212057014	/nfs/dbraw/zinc/05/70/14/212057014.db2.gz	IQUCVILDGZZQPZ-LJQANCHMSA-N	1	3	380.944	4.962	1	30		GJEFHO
CNc1cccc2c1[C@@H](C)C[C@]1(C)C(=NCCCC[NH3+])Nc3ccccc3[C@H]21	ZINC000026820230	207319037	/nfs/dbraw/zinc/31/90/37/207319037.db2.gz	LSYYLXCUMSLSHG-IGUJJWBZSA-N	1	3	376.548	4.937	1	30		GJEFHO
CCCCCCCCCCCNC1=NC(C)(C)[NH+]=C(NCc2ccccc2)N1	ZINC000049867456	222002189	/nfs/dbraw/zinc/00/21/89/222002189.db2.gz	HIOKNSXSBGMPRT-UHFFFAOYSA-N	1	3	385.600	4.948	1	30		GJEFHO
C[NH+](C)[C@H]1CCc2c1cccc2C#Cc1ccc2c(Cl)c(CN)sc2c1	ZINC000072109920	222206003	/nfs/dbraw/zinc/20/60/03/222206003.db2.gz	IQUCVILDGZZQPZ-IBGZPJMESA-N	1	3	380.944	4.962	1	30		GJEFHO