smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=[NH2+])C(c1ccccc1)(c1ccccc1)[C@@H](C)C[NH+](C)C	ZINC000001577163	563285492	/nfs/dbraw/zinc/28/54/92/563285492.db2.gz	PGAKPLYJBQKVSR-KRWDZBQOSA-N	2	0	308.469	4.600	40	0	in-vitro	DJABRP
CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2cc(C)c(C)cc12	ZINC000001873669	563296988	/nfs/dbraw/zinc/29/69/88/563296988.db2.gz	UYDGSKITKHBLJO-KRWDZBQOSA-N	2	0	313.489	4.774	40	0		DJABRP
CC[NH+](CC)CCC[C@H](C)Nc1c(C)c(C)[nH+]c2ccccc21	ZINC000001729632	563293929	/nfs/dbraw/zinc/29/39/29/563293929.db2.gz	LMBJBSQUZYXCRZ-HNNXBMFYSA-N	2	0	313.489	4.774	40	0		DJABRP
CC[NH+](CC)CCC[C@@H](C)Nc1c(C)c(C)[nH+]c2ccccc21	ZINC000008614495	563347795	/nfs/dbraw/zinc/34/77/95/563347795.db2.gz	LMBJBSQUZYXCRZ-OAHLLOKOSA-N	2	0	313.489	4.774	40	0		DJABRP
C[NH+](C1CCCCC1)C1CCC([N@H+](C)C2CCCCC2)CC1	ZINC000255187320	563786338	/nfs/dbraw/zinc/78/63/38/563786338.db2.gz	CSWBRCVEUJZQRB-UHFFFAOYSA-N	2	0	306.538	4.827	40	0		DJABRP
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2cccc(Cl)c12	ZINC000002042687	563298441	/nfs/dbraw/zinc/29/84/41/563298441.db2.gz	CHDBGFBFAXJWRC-CQSZACIVSA-N	2	0	319.880	4.811	40	0		DJABRP
CC[NH+](CC)CCC[C@@H](C)Nc1c(C)c[nH+]c2ccc(C)cc21	ZINC000002042554	563298172	/nfs/dbraw/zinc/29/81/72/563298172.db2.gz	YOQJFQXDPIELFE-QGZVFWFLSA-N	2	0	313.489	4.774	40	0		DJABRP
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2cc(C)c(C)cc12	ZINC000002042683	563298262	/nfs/dbraw/zinc/29/82/62/563298262.db2.gz	UYDGSKITKHBLJO-QGZVFWFLSA-N	2	0	313.489	4.774	40	0		DJABRP
CC[NH+](CC)CCC[C@@H](C)Nc1c(C)c[nH+]c2cccc(C)c21	ZINC000008581091	181565860	/nfs/dbraw/zinc/56/58/60/181565860.db2.gz	SZKFFQOZVWIIEW-QGZVFWFLSA-N	2	0	313.489	4.774	40	0		DJABRP
CCC(=[NH2+])C(c1ccccc1)(c1ccccc1)[C@H](C)C[NH+](C)C	ZINC000005964752	181301743	/nfs/dbraw/zinc/30/17/43/181301743.db2.gz	PGAKPLYJBQKVSR-QGZVFWFLSA-N	2	0	308.469	4.600	40	0	in-vitro	DJABRP
CC[NH+](CC)CCC[C@H](C)Nc1c(C)c[nH+]c2ccc(C)cc21	ZINC000001655473	563289159	/nfs/dbraw/zinc/28/91/59/563289159.db2.gz	YOQJFQXDPIELFE-KRWDZBQOSA-N	2	0	313.489	4.774	40	0		DJABRP
CC[NH+](CC)CCCCNc1c(C)c[nH+]c2cc(Cl)ccc21	ZINC000001712474	563292724	/nfs/dbraw/zinc/29/27/24/563292724.db2.gz	RRRYAUFUKVLMLB-UHFFFAOYSA-N	2	0	319.880	4.731	40	0		DJABRP
CC[NH+](CC)CCC[C@H](C)Nc1c(C)c[nH+]c2cccc(C)c21	ZINC000001729633	563293880	/nfs/dbraw/zinc/29/38/80/563293880.db2.gz	SZKFFQOZVWIIEW-KRWDZBQOSA-N	2	0	313.489	4.774	40	0		DJABRP
CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2cccc(Cl)c12	ZINC000001873646	563296735	/nfs/dbraw/zinc/29/67/35/563296735.db2.gz	CHDBGFBFAXJWRC-AWEZNQCLSA-N	2	0	319.880	4.811	40	0		DJABRP