smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)C1=Cc2ccccc2OC1	ZINC000218349586	359050872	/nfs/dbraw/zinc/05/08/72/359050872.db2.gz	BDXUHPBEAAKQFY-LBPRGKRZSA-N	-1	1	299.330	1.446	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2ncccc2c1	ZINC000218221205	359045995	/nfs/dbraw/zinc/04/59/95/359045995.db2.gz	LQRVMIRACOQLLI-LBPRGKRZSA-N	-1	1	296.330	1.567	50	70		CDIAMM
CCCn1ncnc1[C@@H](C)NC(=O)c1ncccc1[O-]	ZINC000218721193	359063218	/nfs/dbraw/zinc/06/32/18/359063218.db2.gz	OLQJYIMDPKIYSJ-SECBINFHSA-N	-1	1	275.312	1.280	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccnc2ccccc21	ZINC000218411324	398208133	/nfs/dbraw/zinc/20/81/33/398208133.db2.gz	OTMCUYYCIUHAFX-LBPRGKRZSA-N	-1	1	296.330	1.567	50	70		CDIAMM
O=C(Cc1ccc([O-])c(Cl)c1)NCCc1cnccn1	ZINC000217962642	359033699	/nfs/dbraw/zinc/03/36/99/359033699.db2.gz	DWKUUVPJMZIKJV-UHFFFAOYSA-N	-1	1	291.738	1.737	50	70		CDIAMM
Cc1cccnc1CN(C)C(=O)c1ncccc1[O-]	ZINC000217123411	358981411	/nfs/dbraw/zinc/98/14/11/358981411.db2.gz	XUOJIRVQSJYFHT-UHFFFAOYSA-N	-1	1	257.293	1.763	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cc(F)c(F)c(F)c1	ZINC000218167953	359043948	/nfs/dbraw/zinc/04/39/48/359043948.db2.gz	MYPWEJKNILUVGC-SSDOTTSWSA-N	-1	1	299.252	1.436	50	70		CDIAMM
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccncc1[O-]	ZINC000217919191	359031480	/nfs/dbraw/zinc/03/14/80/359031480.db2.gz	BINWYKLDHQJBKC-LLVKDONJSA-N	-1	1	263.341	1.201	50	70		CDIAMM
CN(C[C@H]1COCCO1)C(=O)Cc1ccc([O-])c(Cl)c1	ZINC000217207792	358985295	/nfs/dbraw/zinc/98/52/95/358985295.db2.gz	DMZGTIJDBFNORJ-NSHDSACASA-N	-1	1	299.754	1.462	50	70		CDIAMM
CN(C[C@@H]1COCCO1)C(=O)Cc1ccc([O-])c(Cl)c1	ZINC000217207787	358985491	/nfs/dbraw/zinc/98/54/91/358985491.db2.gz	DMZGTIJDBFNORJ-LLVKDONJSA-N	-1	1	299.754	1.462	50	70		CDIAMM
Cc1nnc([C@H](C)NC(=O)c2ccc(F)c([O-])c2)[nH]1	ZINC000217002343	358973517	/nfs/dbraw/zinc/97/35/17/358973517.db2.gz	LHOPCWNXHSBWTF-LURJTMIESA-N	-1	1	264.260	1.449	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2ncccc2c1	ZINC000218221141	359045945	/nfs/dbraw/zinc/04/59/45/359045945.db2.gz	LQRVMIRACOQLLI-GFCCVEGCSA-N	-1	1	296.330	1.567	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(F)c(Cl)c1	ZINC000218367697	359051207	/nfs/dbraw/zinc/05/12/07/359051207.db2.gz	ICYXEDLUGKZINI-QMMMGPOBSA-N	-1	1	297.717	1.811	50	70		CDIAMM
CC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(F)c([O-])c1	ZINC000218247254	359047292	/nfs/dbraw/zinc/04/72/92/359047292.db2.gz	BLARPXXWWOODCD-NSHDSACASA-N	-1	1	280.299	1.224	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)C1=Cc2ccccc2OC1	ZINC000218349505	359051344	/nfs/dbraw/zinc/05/13/44/359051344.db2.gz	BDXUHPBEAAKQFY-GFCCVEGCSA-N	-1	1	299.330	1.446	50	70		CDIAMM
COc1ccc([C@@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc1	ZINC000218371362	359052553	/nfs/dbraw/zinc/05/25/53/359052553.db2.gz	URFIJKQUWUUCEZ-LLVKDONJSA-N	-1	1	275.308	1.027	50	70		CDIAMM
O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CC[C@@H](C1)[C@H]2O	ZINC000217645334	359016283	/nfs/dbraw/zinc/01/62/83/359016283.db2.gz	HLEPQBTXXDSBBE-WOFXILAISA-N	-1	1	281.739	1.889	50	70		CDIAMM
CC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(F)c([O-])c1	ZINC000218247207	359047535	/nfs/dbraw/zinc/04/75/35/359047535.db2.gz	BLARPXXWWOODCD-LLVKDONJSA-N	-1	1	280.299	1.224	50	70		CDIAMM
O=C(c1cncc([O-])c1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000160482297	356753505	/nfs/dbraw/zinc/75/35/05/356753505.db2.gz	LSGSBYBETNSQDR-WFASDCNBSA-N	-1	1	276.336	1.554	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cccc2cccnc21	ZINC000218261270	359047313	/nfs/dbraw/zinc/04/73/13/359047313.db2.gz	DXMWXEACHYZILA-GFCCVEGCSA-N	-1	1	296.330	1.567	50	70		CDIAMM
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccncc1[O-]	ZINC000217919284	359031335	/nfs/dbraw/zinc/03/13/35/359031335.db2.gz	BINWYKLDHQJBKC-NSHDSACASA-N	-1	1	263.341	1.201	50	70		CDIAMM
O=C(NCCc1cnccn1)c1ccc(Cl)cc1[O-]	ZINC000217747139	361597746	/nfs/dbraw/zinc/59/77/46/361597746.db2.gz	AEMMYOQXLVPAHN-UHFFFAOYSA-N	-1	1	277.711	1.808	50	70		CDIAMM
Cc1n[nH]c(C)c1CNC(=O)c1ccc([O-])cc1F	ZINC000217923209	359031769	/nfs/dbraw/zinc/03/17/69/359031769.db2.gz	BYPQDSQRRWKUME-UHFFFAOYSA-N	-1	1	263.272	1.801	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(F)c(Cl)c1	ZINC000218367641	359050951	/nfs/dbraw/zinc/05/09/51/359050951.db2.gz	ICYXEDLUGKZINI-MRVPVSSYSA-N	-1	1	297.717	1.811	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cc(F)c(F)c(F)c1	ZINC000218168018	359044435	/nfs/dbraw/zinc/04/44/35/359044435.db2.gz	MYPWEJKNILUVGC-ZETCQYMHSA-N	-1	1	299.252	1.436	50	70		CDIAMM
Cc1nc2ccc(CNC(=O)c3cnc(C)[nH]c3=O)cc2[nH]1	ZINC000217948159	359033053	/nfs/dbraw/zinc/03/30/53/359033053.db2.gz	MBCCNNILAXSXHG-UHFFFAOYSA-N	-1	1	297.318	1.193	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc2cccnc21	ZINC000218261196	359047625	/nfs/dbraw/zinc/04/76/25/359047625.db2.gz	DXMWXEACHYZILA-LBPRGKRZSA-N	-1	1	296.330	1.567	50	70		CDIAMM
CCCn1ncnc1[C@H](C)NC(=O)c1ncccc1[O-]	ZINC000218721274	359063879	/nfs/dbraw/zinc/06/38/79/359063879.db2.gz	OLQJYIMDPKIYSJ-VIFPVBQESA-N	-1	1	275.312	1.280	50	70		CDIAMM
Cc1cc(C)c(CNC(=O)c2ccc([O-])cn2)cn1	ZINC000218135440	359043232	/nfs/dbraw/zinc/04/32/32/359043232.db2.gz	BJDCETYYHQKESR-UHFFFAOYSA-N	-1	1	257.293	1.729	50	70		CDIAMM
CN(Cc1cnn(C)c1)C(=O)c1ccc(F)c([O-])c1	ZINC000217147305	358982452	/nfs/dbraw/zinc/98/24/52/358982452.db2.gz	GXKVMQMNSFWXIG-UHFFFAOYSA-N	-1	1	263.272	1.537	50	70		CDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccnc2ccccc21	ZINC000218411410	398208173	/nfs/dbraw/zinc/20/81/73/398208173.db2.gz	OTMCUYYCIUHAFX-GFCCVEGCSA-N	-1	1	296.330	1.567	50	70		CDIAMM
COc1ccc([C@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc1	ZINC000218371287	359051967	/nfs/dbraw/zinc/05/19/67/359051967.db2.gz	URFIJKQUWUUCEZ-NSHDSACASA-N	-1	1	275.308	1.027	50	70		CDIAMM
CCOC(=O)c1cc(N2C(=O)c3ccccc3C2=O)[n-]n1	ZINC000217048138	358977037	/nfs/dbraw/zinc/97/70/37/358977037.db2.gz	SNHOEDUIPXGEKN-UHFFFAOYSA-N	-1	1	285.259	1.387	50	70		CDIAMM
CCOC(=O)c1cc(N2C(=O)c3ccccc3C2=O)n[n-]1	ZINC000217048138	358977042	/nfs/dbraw/zinc/97/70/42/358977042.db2.gz	SNHOEDUIPXGEKN-UHFFFAOYSA-N	-1	1	285.259	1.387	50	70		CDIAMM
Cc1n[nH]c(C)c1CCNC(=O)c1ccc(F)c([O-])c1	ZINC000217382664	358996943	/nfs/dbraw/zinc/99/69/43/358996943.db2.gz	FLPDNSWOYPGJPH-UHFFFAOYSA-N	-1	1	277.299	1.844	50	70		CDIAMM
Cc1nnc([C@@H](C)NC(=O)c2ccc(F)c([O-])c2)[nH]1	ZINC000217002330	358973226	/nfs/dbraw/zinc/97/32/26/358973226.db2.gz	LHOPCWNXHSBWTF-ZCFIWIBFSA-N	-1	1	264.260	1.449	50	70		CDIAMM