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]([NH2+]Cc1ccc(C)c(F)c1)C2	ZINC000014750170	569310629	/nfs/dbraw/zinc/31/06/29/569310629.db2.gz	HZTKTRFTYRWICC-GOSISDBHSA-N	1	0	428.577	3.353	10	30		IGEERO
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2	ZINC000072133644	518996845	/nfs/dbraw/zinc/99/68/45/518996845.db2.gz	TUWPJXJOQXPPNP-KRWDZBQOSA-N	1	0	426.435	3.179	10	30		IGEERO
C#CCOC[C@H](O)C[N@@H+](CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccco1	ZINC000036147856	518311427	/nfs/dbraw/zinc/31/14/27/518311427.db2.gz	ITYMLAQNAGKZOE-GOSISDBHSA-N	1	0	429.904	3.347	10	30		IGEERO
CC1=CC(=O)C(=C2C[C@@H](c3ccc(N4CC[NH2+]CC4)cc3)Nc3ccccc3N2)C(=O)O1	ZINC000227173365	520850004	/nfs/dbraw/zinc/85/00/04/520850004.db2.gz	ABSJODQZBOWHCP-WZFMIUBLSA-N	1	0	430.508	3.349	10	30		IGEERO
Fc1ccc(NC(=S)N/N=C2\C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cc1Cl	ZINC000020510087	526353829	/nfs/dbraw/zinc/35/38/29/526353829.db2.gz	HKWNCLDSDWQUGY-LHLOQNFPSA-N	1	0	443.979	3.321	10	30		IGEERO
O=C(NO)c1cc2c(C[NH2+]CCc3ccccn3)cn(Cc3ccc(F)cc3F)c2cn1	ZINC000035849685	526843612	/nfs/dbraw/zinc/84/36/12/526843612.db2.gz	MEZXFWIVSFDUGT-UHFFFAOYSA-N	1	0	437.450	3.209	10	30		IGEERO
C=CCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2	ZINC000072133645	518997553	/nfs/dbraw/zinc/99/75/53/518997553.db2.gz	TUWPJXJOQXPPNP-QGZVFWFLSA-N	1	0	426.435	3.179	10	30		IGEERO
C=CCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1c(OC)ccc3ccccc31)CC2	ZINC000072130860	518998656	/nfs/dbraw/zinc/99/86/56/518998656.db2.gz	ULEYNPLLXVAWBZ-OAQYLSRUSA-N	1	0	438.524	3.322	10	30		IGEERO
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2	ZINC000014542830	519286988	/nfs/dbraw/zinc/28/69/88/519286988.db2.gz	STUMCZZDSAFQJB-QHCPKHFHSA-N	1	0	447.627	3.417	10	30		IGEERO
Cc1cc([N+](=O)[O-])nn1CC(=O)ONC(=[NH2+])c1ccc(OCc2ccccc2Cl)cc1	ZINC000020353695	525578495	/nfs/dbraw/zinc/57/84/95/525578495.db2.gz	GFYSMWCKYKSHNR-UHFFFAOYSA-N	1	0	443.847	3.196	10	30		IGEERO
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H]([NH3+])CS)cc1-c1ccccc1	ZINC000013796722	563007482	/nfs/dbraw/zinc/00/74/82/563007482.db2.gz	IENQPUVVSDIXCT-UTKZUKDTSA-N	1	0	429.586	3.340	10	30		IGEERO
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1c(OC)ccc3ccccc31)CC2	ZINC000072130859	518995534	/nfs/dbraw/zinc/99/55/34/518995534.db2.gz	ULEYNPLLXVAWBZ-NRFANRHFSA-N	1	0	438.524	3.322	10	30		IGEERO
CCOC(=O)c1ccc(N2C(=O)C(Nc3ccc(C)cc3)=C([n+]3ccccc3)C2=O)cc1	ZINC000002388185	521482911	/nfs/dbraw/zinc/48/29/11/521482911.db2.gz	QLXXHEUNIJWBBG-UHFFFAOYSA-O	1	0	428.468	3.313	10	30		IGEERO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccc(C)c(F)c1)C2	ZINC000014750171	569310669	/nfs/dbraw/zinc/31/06/69/569310669.db2.gz	HZTKTRFTYRWICC-SFHVURJKSA-N	1	0	428.577	3.353	10	30		IGEERO
CC1=CC(=O)C(=C2C[C@H](c3ccc(N4CC[NH2+]CC4)cc3)Nc3ccccc3N2)C(=O)O1	ZINC000227173369	556685636	/nfs/dbraw/zinc/68/56/36/556685636.db2.gz	ABSJODQZBOWHCP-PZJQAWQVSA-N	1	0	430.508	3.349	10	30		IGEERO
C#CCOC[C@@H](O)C[N@@H+](CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccco1	ZINC000036147853	518300046	/nfs/dbraw/zinc/30/00/46/518300046.db2.gz	ITYMLAQNAGKZOE-SFHVURJKSA-N	1	0	429.904	3.347	10	30		IGEERO