smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C[C@@H](c1ccco1)c1c(Cc2ccccc2)[n-][nH]c1=O	ZINC000218462254	407518555	/nfs/dbraw/zinc/51/85/55/407518555.db2.gz	FEKSTCAGIZUZOE-LBPRGKRZSA-N	-1	1	311.341	1.894	50	70		DDIAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@H](CO)C(C)C	ZINC000217884142	407509567	/nfs/dbraw/zinc/50/95/67/407509567.db2.gz	XLPDQRHURLUYSU-CQSZACIVSA-N	-1	1	319.357	1.483	50	70		DDIAMM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)NCCc2ccncc2)n1	ZINC000217120772	484144444	/nfs/dbraw/zinc/14/44/44/484144444.db2.gz	QDEXQGQREBDTND-LLVKDONJSA-N	-1	1	318.402	1.313	50	70		DDIAMM
COc1ccc([C@H](CC(N)=O)c2c(C)[n-][nH]c2=O)c(OC)c1	ZINC000218301942	407515046	/nfs/dbraw/zinc/51/50/46/407515046.db2.gz	QTMVUEAYTRZJMS-NSHDSACASA-N	-1	1	305.334	1.036	50	70		DDIAMM
CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C1CC(O)C1	ZINC000218329041	407516939	/nfs/dbraw/zinc/51/69/39/407516939.db2.gz	LDPFHDMQPNGQEN-SFVIPPHHSA-N	-1	1	323.336	1.932	50	70		DDIAMM
O=C(NCCc1nc(-c2cccnc2)no1)c1ncccc1[O-]	ZINC000217810083	407510372	/nfs/dbraw/zinc/51/03/72/407510372.db2.gz	OXJUQJUFCZGVBI-UHFFFAOYSA-N	-1	1	311.301	1.205	50	70		DDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1coc2ccccc2c1=O	ZINC000218285357	407516632	/nfs/dbraw/zinc/51/66/32/407516632.db2.gz	ZTPMEEWLEZVKGS-SNVBAGLBSA-N	-1	1	313.313	1.125	50	70		DDIAMM
CCNC(=O)N1CCC(NC(=O)c2ccc(F)c([O-])c2)CC1	ZINC000218320847	407514494	/nfs/dbraw/zinc/51/44/94/407514494.db2.gz	UXYKCZWLRCHLDT-UHFFFAOYSA-N	-1	1	309.341	1.455	50	70		DDIAMM
O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1O	ZINC000218698982	407520732	/nfs/dbraw/zinc/52/07/32/407520732.db2.gz	AVSCYTWUOPFMJY-ZDUSSCGKSA-N	-1	1	322.380	1.905	50	70		DDIAMM
C[C@H](c1ccncn1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000216925946	484141995	/nfs/dbraw/zinc/14/19/95/484141995.db2.gz	CCDVLFNEOKKEPZ-SNVBAGLBSA-N	-1	1	309.329	1.546	50	70		DDIAMM
COc1ccc([C@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc1OC	ZINC000218314779	407516702	/nfs/dbraw/zinc/51/67/02/407516702.db2.gz	JFRAGCSPASNWQF-JTQLQIEISA-N	-1	1	305.334	1.036	50	70		DDIAMM
COc1ccc([C@@H](CC(N)=O)c2c(C)[n-][nH]c2=O)c(OC)c1	ZINC000218301993	407515766	/nfs/dbraw/zinc/51/57/66/407515766.db2.gz	QTMVUEAYTRZJMS-LLVKDONJSA-N	-1	1	305.334	1.036	50	70		DDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1coc2ccccc2c1=O	ZINC000218285316	407516160	/nfs/dbraw/zinc/51/61/60/407516160.db2.gz	ZTPMEEWLEZVKGS-JTQLQIEISA-N	-1	1	313.313	1.125	50	70		DDIAMM
COCCn1cnnc1[C@H](C)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000218570234	257274110	/nfs/dbraw/zinc/27/41/10/257274110.db2.gz	JMBAMKDDBAUNCX-VIFPVBQESA-N	-1	1	324.768	1.775	50	70		DDIAMM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)NCCc2ccncc2)n1	ZINC000217120754	484144139	/nfs/dbraw/zinc/14/41/39/484144139.db2.gz	QDEXQGQREBDTND-NSHDSACASA-N	-1	1	318.402	1.313	50	70		DDIAMM
COCCn1cnnc1[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000218570151	257273977	/nfs/dbraw/zinc/27/39/77/257273977.db2.gz	JMBAMKDDBAUNCX-SECBINFHSA-N	-1	1	324.768	1.775	50	70		DDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(OC(F)F)c1	ZINC000218400649	407518141	/nfs/dbraw/zinc/51/81/41/407518141.db2.gz	BLFMGKGZYDDEJE-SNVBAGLBSA-N	-1	1	311.288	1.620	50	70		DDIAMM
NC(=O)C[C@H](c1ccco1)c1c(Cc2ccccc2)[n-][nH]c1=O	ZINC000218462177	407517757	/nfs/dbraw/zinc/51/77/57/407517757.db2.gz	FEKSTCAGIZUZOE-GFCCVEGCSA-N	-1	1	311.341	1.894	50	70		DDIAMM
O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1O	ZINC000218699060	407521107	/nfs/dbraw/zinc/52/11/07/407521107.db2.gz	AVSCYTWUOPFMJY-CYBMUJFWSA-N	-1	1	322.380	1.905	50	70		DDIAMM
COc1ccc([C@@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc1OC	ZINC000218314874	407515633	/nfs/dbraw/zinc/51/56/33/407515633.db2.gz	JFRAGCSPASNWQF-SNVBAGLBSA-N	-1	1	305.334	1.036	50	70		DDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OC(F)F)c1	ZINC000218400729	407518386	/nfs/dbraw/zinc/51/83/86/407518386.db2.gz	BLFMGKGZYDDEJE-JTQLQIEISA-N	-1	1	311.288	1.620	50	70		DDIAMM
CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C1CC(O)C1	ZINC000218329117	407515438	/nfs/dbraw/zinc/51/54/38/407515438.db2.gz	LDPFHDMQPNGQEN-KTOWXAHTSA-N	-1	1	323.336	1.932	50	70		DDIAMM
C[C@@H](c1ccncn1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000216925919	484142858	/nfs/dbraw/zinc/14/28/58/484142858.db2.gz	CCDVLFNEOKKEPZ-JTQLQIEISA-N	-1	1	309.329	1.546	50	70		DDIAMM