smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ncsc1CCNC(=O)Cc1c[nH]c(=O)[n-]c1=O	ZINC000216935635	352232213	/nfs/dbraw/zinc/23/22/13/352232213.db2.gz	YXHHMRUXWAXIJI-UHFFFAOYSA-N	-1	3	294.336	-0.270	50	70		CBIAHM
O=C(Cn1cc2ccccc2n1)NCc1c[nH]c(=O)[n-]c1=O	ZINC000217365528	352232317	/nfs/dbraw/zinc/23/23/17/352232317.db2.gz	OJOOWPSJKAMDGU-UHFFFAOYSA-N	-1	3	299.290	-0.271	50	70		CBIAHM
CC[C@@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)c1nc(C)c[nH]1	ZINC000217025074	352232334	/nfs/dbraw/zinc/23/23/34/352232334.db2.gz	GMDMXEKAOHMQNF-SECBINFHSA-N	-1	3	291.311	-0.014	50	70		CBIAHM
Cc1c[nH]c(C(=O)NCCc2nc(N)cc(=O)[n-]2)n1	ZINC000217095743	352232735	/nfs/dbraw/zinc/23/27/35/352232735.db2.gz	VAXDTJVDCFMUPZ-UHFFFAOYSA-N	-1	3	262.273	-0.232	50	70		CBIAHM
O=C(COC[C@@H]1CCCCO1)NCc1c[nH]c(=O)[n-]c1=O	ZINC000217722524	372868012	/nfs/dbraw/zinc/86/80/12/372868012.db2.gz	CTDKNEBVZVRCQA-JTQLQIEISA-N	-1	3	297.311	-0.735	50	70		CBIAHM
CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cc1cnc[n-]c1=O	ZINC000218707512	352235988	/nfs/dbraw/zinc/23/59/88/352235988.db2.gz	PCLLTEQRTKNFMT-GWNIPJSYSA-N	-1	3	292.339	-0.854	50	70		CBIAHM
O=C(COC[C@H]1CCCCO1)NCc1c[nH]c(=O)[n-]c1=O	ZINC000217722606	372868082	/nfs/dbraw/zinc/86/80/82/372868082.db2.gz	CTDKNEBVZVRCQA-SNVBAGLBSA-N	-1	3	297.311	-0.735	50	70		CBIAHM
Cc1cc(C(=O)NCc2c[nH]c(=O)[n-]c2=O)c(C)n1C	ZINC000218471950	352235157	/nfs/dbraw/zinc/23/51/57/352235157.db2.gz	LNJDXVDQOHMIDN-UHFFFAOYSA-N	-1	3	276.296	-0.051	50	70		CBIAHM
Cn1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c(=O)[n-]c1=O	ZINC000218187045	294212571	/nfs/dbraw/zinc/21/25/71/294212571.db2.gz	DHLLCEKFHLWEKP-GHMZBOCLSA-N	-1	3	293.323	-0.143	50	70		CBIAHM
O=c1cc(CN2CCCn3nc(CO)cc3C2)[nH]c(=O)[n-]1	ZINC000217029104	352232905	/nfs/dbraw/zinc/23/29/05/352232905.db2.gz	VWHQYMVXQJXLSP-UHFFFAOYSA-N	-1	3	291.311	-0.842	50	70		CBIAHM
O=C(NCCN1CCNC1=O)c1ccc2n[n-]nc2c1	ZINC000217415893	352233212	/nfs/dbraw/zinc/23/32/12/352233212.db2.gz	ZXRBQPKJVWBWTO-UHFFFAOYSA-N	-1	3	274.284	-0.287	50	70		CBIAHM
CN(CCc1cnn(C)c1)C(=O)Cc1c[nH]c(=O)[n-]c1=O	ZINC000217820508	352234313	/nfs/dbraw/zinc/23/43/13/352234313.db2.gz	CREZUBDWIXDKOA-UHFFFAOYSA-N	-1	3	291.311	-0.960	50	70		CBIAHM
C[C@@H](Cc1cccnc1)NC(=O)CN1CC(=O)[N-]C1=O	ZINC000216921469	534254520	/nfs/dbraw/zinc/25/45/20/534254520.db2.gz	RYZRCPYUPPSNHO-VIFPVBQESA-N	-1	3	276.296	-0.319	50	70		CBIAHM
NS(=O)(=O)c1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1	ZINC000217792921	534703255	/nfs/dbraw/zinc/70/32/55/534703255.db2.gz	ZJYKUKLBRBOCGB-UHFFFAOYSA-N	-1	3	294.292	-0.330	50	70		CBIAHM
CN1CCN(C)[C@@H](CNC(=O)c2ccc([O-])cn2)C1	ZINC000216955043	530070342	/nfs/dbraw/zinc/07/03/42/530070342.db2.gz	DFLLUCQRUWYLIL-JTQLQIEISA-N	-1	3	264.329	-0.237	50	70		CBIAHM
Cc1n[nH]c(C)c1CCNC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000217208523	352232691	/nfs/dbraw/zinc/23/26/91/352232691.db2.gz	FHMCJRNYMAWNCF-JTQLQIEISA-N	-1	3	293.327	-0.327	50	70		CBIAHM
O=C(CN1CCCCCC1)NCc1n[nH]c(=O)[n-]1	ZINC000217777183	262344459	/nfs/dbraw/zinc/34/44/59/262344459.db2.gz	KYBBHLQVSLRLRF-UHFFFAOYSA-N	-1	3	253.306	-0.410	50	70		CBIAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCn1cc(Cl)cn1	ZINC000218647567	352235849	/nfs/dbraw/zinc/23/58/49/352235849.db2.gz	AUSZECZYPPMBLI-QMMMGPOBSA-N	-1	3	299.718	-0.359	50	70		CBIAHM
C[C@H](Cc1cccnc1)NC(=O)CN1CC(=O)[N-]C1=O	ZINC000216921493	352232230	/nfs/dbraw/zinc/23/22/30/352232230.db2.gz	RYZRCPYUPPSNHO-SECBINFHSA-N	-1	3	276.296	-0.319	50	70		CBIAHM
CC[C@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)c1nc(C)c[nH]1	ZINC000217025116	352232250	/nfs/dbraw/zinc/23/22/50/352232250.db2.gz	GMDMXEKAOHMQNF-VIFPVBQESA-N	-1	3	291.311	-0.014	50	70		CBIAHM
Cc1cnc(C(=O)NCc2c[nH]c(=O)[n-]c2=O)cn1	ZINC000217109356	352232447	/nfs/dbraw/zinc/23/24/47/352232447.db2.gz	LBMFJVRNDYXJIX-UHFFFAOYSA-N	-1	3	261.241	-0.908	50	70		CBIAHM