smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1ccncc1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218073353	241296323	/nfs/dbraw/zinc/29/63/23/241296323.db2.gz	ZELJUTCPBWXEAW-SNVBAGLBSA-N	-1	1	332.312	0.957	50	70		ECIAMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCn2nc(CO)cc2C1	ZINC000217131847	241235019	/nfs/dbraw/zinc/23/50/19/241235019.db2.gz	PAQZPOGPBKSGDS-UHFFFAOYSA-N	-1	1	339.355	0.658	50	70		ECIAMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCn2nc(CO)cc2C1	ZINC000217109137	241236896	/nfs/dbraw/zinc/23/68/96/241236896.db2.gz	AOFWVJQVPRZXCU-UHFFFAOYSA-N	-1	1	325.328	0.268	50	70		ECIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2cccc3c2n(c1=O)CC3	ZINC000218245339	241308718	/nfs/dbraw/zinc/30/87/18/241308718.db2.gz	MZQPEDFBVTVHSF-LBPRGKRZSA-N	-1	1	338.367	0.890	50	70		ECIAMM
O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ncccc1[O-]	ZINC000217945490	241286467	/nfs/dbraw/zinc/28/64/67/241286467.db2.gz	NZYFJGYNAZERFR-CQSZACIVSA-N	-1	1	328.372	0.986	50	70		ECIAMM
CC(C)c1noc([C@H]2CCCN(C(=O)Cc3cc(=O)[n-][nH]c3=O)C2)n1	ZINC000218461122	241324552	/nfs/dbraw/zinc/32/45/52/241324552.db2.gz	JDCGMOVVLPFPME-JTQLQIEISA-N	-1	1	347.375	0.518	50	70		ECIAMM
COC(=O)C[C@H](c1cccnc1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218059884	241293718	/nfs/dbraw/zinc/29/37/18/241293718.db2.gz	VXYVARAHGNWPDG-SNVBAGLBSA-N	-1	1	332.312	0.957	50	70		ECIAMM
CN(Cc1nc2c(s1)CCCC2)C(=O)Cc1cc(=O)[n-][nH]c1=O	ZINC000216917925	241222834	/nfs/dbraw/zinc/22/28/34/241222834.db2.gz	SCHBJQWMDVTHDZ-UHFFFAOYSA-N	-1	1	334.401	0.600	50	70		ECIAMM
CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cc1[O-])C2	ZINC000217399822	241248170	/nfs/dbraw/zinc/24/81/70/241248170.db2.gz	BGZVVFHTMAEIQJ-HBYGRHMLSA-N	-1	1	329.360	0.865	50	70		ECIAMM
COc1cc([C@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc2c1OCCO2	ZINC000218296226	536883941	/nfs/dbraw/zinc/88/39/41/536883941.db2.gz	IMCVTPHUZHIBME-JTQLQIEISA-N	-1	1	333.344	0.799	50	70		ECIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(O)c1	ZINC000218287852	535748835	/nfs/dbraw/zinc/74/88/35/535748835.db2.gz	HYHODYZCTNBQQP-LLVKDONJSA-N	-1	1	333.344	0.522	50	70		ECIAMM
COCCn1c(C)cc(C)c(C(=O)Nc2nc(COC)n[n-]2)c1=O	ZINC000218564791	241331305	/nfs/dbraw/zinc/33/13/05/241331305.db2.gz	ZYYAOVVNPKKNLM-UHFFFAOYSA-N	-1	1	335.364	0.628	50	70		ECIAMM
Cc1c(C(=O)N2CCCn3nc(CO)cc3C2)cnc2cc(=O)[n-]n21	ZINC000216988171	241231174	/nfs/dbraw/zinc/23/11/74/241231174.db2.gz	PAGWCJDQZPXFCD-UHFFFAOYSA-N	-1	1	342.359	0.066	50	70		ECIAMM
CC(C)c1noc([C@@H]2CCCN(C(=O)Cc3cc(=O)[n-][nH]c3=O)C2)n1	ZINC000218461031	241323995	/nfs/dbraw/zinc/32/39/95/241323995.db2.gz	JDCGMOVVLPFPME-SNVBAGLBSA-N	-1	1	347.375	0.518	50	70		ECIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cc2ccccc2n(C)c1=O	ZINC000218413358	241322777	/nfs/dbraw/zinc/32/27/77/241322777.db2.gz	CNASCLSCWIIBFD-LLVKDONJSA-N	-1	1	326.356	0.871	50	70		ECIAMM
CN(CCc1nc2ccccc2[nH]1)C(=O)Cc1cc(=O)[n-][nH]c1=O	ZINC000217187071	241242818	/nfs/dbraw/zinc/24/28/18/241242818.db2.gz	ZRZQXBVSBULENI-UHFFFAOYSA-N	-1	1	327.344	0.183	50	70		ECIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(O)c1	ZINC000218287905	535749144	/nfs/dbraw/zinc/74/91/44/535749144.db2.gz	HYHODYZCTNBQQP-NSHDSACASA-N	-1	1	333.344	0.522	50	70		ECIAMM
COc1ccc2cc([C@@H](CC(N)=O)c3c(C)[n-][nH]c3=O)c(=O)[nH]c2c1	ZINC000218401809	537039256	/nfs/dbraw/zinc/03/92/56/537039256.db2.gz	PRTBZVAVWSECBG-LLVKDONJSA-N	-1	1	342.355	0.869	50	70		ECIAMM
COc1ccc2cc([C@H](CC(N)=O)c3c(C)[n-][nH]c3=O)c(=O)[nH]c2c1	ZINC000218401738	241319771	/nfs/dbraw/zinc/31/97/71/241319771.db2.gz	PRTBZVAVWSECBG-NSHDSACASA-N	-1	1	342.355	0.869	50	70		ECIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000218272958	241309610	/nfs/dbraw/zinc/30/96/10/241309610.db2.gz	YMUCMGZHBYSCEM-SNVBAGLBSA-N	-1	1	329.360	0.209	50	70		ECIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2ccccc2n(C)c1=O	ZINC000218413293	241321296	/nfs/dbraw/zinc/32/12/96/241321296.db2.gz	CNASCLSCWIIBFD-NSHDSACASA-N	-1	1	326.356	0.871	50	70		ECIAMM
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1nc3ccccc3c(=O)[n-]1)C2	ZINC000217767630	241275614	/nfs/dbraw/zinc/27/56/14/241275614.db2.gz	OAZHZOVELMJGKX-JTQLQIEISA-N	-1	1	339.355	0.829	50	70		ECIAMM
COc1cc([C@@H](CC(N)=O)c2c(C)[n-][nH]c2=O)cc2c1OCCO2	ZINC000218296290	241312691	/nfs/dbraw/zinc/31/26/91/241312691.db2.gz	IMCVTPHUZHIBME-SNVBAGLBSA-N	-1	1	333.344	0.799	50	70		ECIAMM
CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Cc1cc(=O)[n-][nH]c1=O	ZINC000217044036	536460795	/nfs/dbraw/zinc/46/07/95/536460795.db2.gz	OLVODVAZPQZIEN-UHFFFAOYSA-N	-1	1	330.319	0.885	50	70		ECIAMM
COC(=O)C[C@@H](c1ccncc1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218073418	536313170	/nfs/dbraw/zinc/31/31/70/536313170.db2.gz	ZELJUTCPBWXEAW-JTQLQIEISA-N	-1	1	332.312	0.957	50	70		ECIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cc2cccc3c2n(c1=O)CC3	ZINC000218245405	241308515	/nfs/dbraw/zinc/30/85/15/241308515.db2.gz	MZQPEDFBVTVHSF-GFCCVEGCSA-N	-1	1	338.367	0.890	50	70		ECIAMM
O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1ncccc1[O-]	ZINC000217945411	241285262	/nfs/dbraw/zinc/28/52/62/241285262.db2.gz	NZYFJGYNAZERFR-AWEZNQCLSA-N	-1	1	328.372	0.986	50	70		ECIAMM
O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1	ZINC000218707390	241338971	/nfs/dbraw/zinc/33/89/71/241338971.db2.gz	OUVKJPRPNMJRCM-ZFWWWQNUSA-N	-1	1	340.807	0.492	50	70		ECIAMM
CCn1nc(CNC(=O)Cc2cc(=O)[n-][nH]c2=O)c2ccccc21	ZINC000218524801	241328719	/nfs/dbraw/zinc/32/87/19/241328719.db2.gz	KQDZPOGBGYBYFD-UHFFFAOYSA-N	-1	1	327.344	0.292	50	70		ECIAMM
COc1ccc2[nH]c(=O)c([C@H](CC(N)=O)c3c(C)[n-][nH]c3=O)cc2c1	ZINC000218322259	241315826	/nfs/dbraw/zinc/31/58/26/241315826.db2.gz	PEVNEPFFTIKHCA-NSHDSACASA-N	-1	1	342.355	0.869	50	70		ECIAMM
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1nc3ccccc3c(=O)[n-]1)C2	ZINC000217767549	241274417	/nfs/dbraw/zinc/27/44/17/241274417.db2.gz	OAZHZOVELMJGKX-SNVBAGLBSA-N	-1	1	339.355	0.829	50	70		ECIAMM
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCn2nc(CO)cc2C1	ZINC000217508955	241255355	/nfs/dbraw/zinc/25/53/55/241255355.db2.gz	ACUDOYPNWWCHEW-UHFFFAOYSA-N	-1	1	329.360	0.382	50	70		ECIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000218273005	241311072	/nfs/dbraw/zinc/31/10/72/241311072.db2.gz	YMUCMGZHBYSCEM-JTQLQIEISA-N	-1	1	329.360	0.209	50	70		ECIAMM
COC(=O)C[C@@H](c1cccnc1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218059962	536313622	/nfs/dbraw/zinc/31/36/22/536313622.db2.gz	VXYVARAHGNWPDG-JTQLQIEISA-N	-1	1	332.312	0.957	50	70		ECIAMM
COc1ccc2[nH]c(=O)c([C@@H](CC(N)=O)c3c(C)[n-][nH]c3=O)cc2c1	ZINC000218322350	241314538	/nfs/dbraw/zinc/31/45/38/241314538.db2.gz	PEVNEPFFTIKHCA-LLVKDONJSA-N	-1	1	342.355	0.869	50	70		ECIAMM