smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH2+]CCCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000001709183	563292413	/nfs/dbraw/zinc/29/24/13/563292413.db2.gz	QLVVWXIIYFAPKU-AWEZNQCLSA-N	2	1	319.880	4.857	40	0		DJABMP
CC[NH+](CC)CCCCCCCNc1[nH+]ccc2ccccc21	ZINC000001666882	563289837	/nfs/dbraw/zinc/28/98/37/563289837.db2.gz	GRORIRJKZDORDY-UHFFFAOYSA-N	2	1	313.489	4.939	40	0		DJABMP
CC[NH+](CC)C/C=C\[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000005179621	181213861	/nfs/dbraw/zinc/21/38/61/181213861.db2.gz	RGILJHRZERHZFJ-AFNCTOJWSA-N	2	1	317.864	4.587	40	0		DJABMP
CC(C)[NH2+]CCCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000005455426	181245363	/nfs/dbraw/zinc/24/53/63/181245363.db2.gz	QLVVWXIIYFAPKU-CQSZACIVSA-N	2	1	319.880	4.857	40	0		DJABMP
CC(C)C[NH2+]CCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000001709184	563292375	/nfs/dbraw/zinc/29/23/75/563292375.db2.gz	CBBFLDVNDJJDFT-AWEZNQCLSA-N	2	1	319.880	4.714	40	0		DJABMP
CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2ccc(Cl)cc12	ZINC000001729586	563293903	/nfs/dbraw/zinc/29/39/03/563293903.db2.gz	SVSUKRWDTXEKHZ-AWEZNQCLSA-N	2	1	319.880	4.811	40	0		DJABMP
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2ccc(Cl)cc12	ZINC000008581082	563347669	/nfs/dbraw/zinc/34/76/69/563347669.db2.gz	SVSUKRWDTXEKHZ-CQSZACIVSA-N	2	1	319.880	4.811	40	0		DJABMP
C[NH+](C1CCCCC1)C1CCC([N@@H+](C)C2CCCCC2)CC1	ZINC000255187320	563786341	/nfs/dbraw/zinc/78/63/41/563786341.db2.gz	CSWBRCVEUJZQRB-UHFFFAOYSA-N	2	1	306.538	4.827	40	0		DJABMP
CC[NH+](CC)C/C=C\[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000005179619	181213926	/nfs/dbraw/zinc/21/39/26/181213926.db2.gz	RGILJHRZERHZFJ-LMVHVUTASA-N	2	1	317.864	4.587	40	0		DJABMP
CC(C)C[NH2+]CCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000005453991	181245335	/nfs/dbraw/zinc/24/53/35/181245335.db2.gz	CBBFLDVNDJJDFT-CQSZACIVSA-N	2	1	319.880	4.714	40	0		DJABMP
Clc1ccc2c(NCCC[NH2+]C3CCCCC3)cc[nH+]c2c1	ZINC000001596768	563286888	/nfs/dbraw/zinc/28/68/88/563286888.db2.gz	BEDDWNMGYOHYNU-UHFFFAOYSA-N	2	1	317.864	4.613	40	0		DJABMP
CCCC[NH+](CCCC)CCCNc1[nH+]ccc2ccccc21	ZINC000001676312	563290292	/nfs/dbraw/zinc/29/02/92/563290292.db2.gz	CFNSXLPOASGUCI-UHFFFAOYSA-N	2	1	313.489	4.939	40	0		DJABMP
CC[NH+](CC)C/C=C/[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000001706627	563292681	/nfs/dbraw/zinc/29/26/81/563292681.db2.gz	RGILJHRZERHZFJ-PSKZRQQASA-N	2	1	317.864	4.587	40	0		DJABMP
CC(C)[NH2+]C1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000001687515	180888313	/nfs/dbraw/zinc/88/83/13/180888313.db2.gz	CLBBSJHIPCURMH-UHFFFAOYSA-N	2	1	317.864	4.609	40	0		DJABMP
CC[NH+](CC)C/C=C/[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000001706629	563292594	/nfs/dbraw/zinc/29/25/94/563292594.db2.gz	RGILJHRZERHZFJ-UZYOAWRESA-N	2	1	317.864	4.587	40	0		DJABMP
C[C@@H](CCC[NH+]1CCCC1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000001666887	563290056	/nfs/dbraw/zinc/29/00/56/563290056.db2.gz	FGEYLHAWJDNMTO-AWEZNQCLSA-N	2	1	317.864	4.565	40	0		DJABMP
C[C@H](CCC[NH+]1CCCC1)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000008579986	563358341	/nfs/dbraw/zinc/35/83/41/563358341.db2.gz	FGEYLHAWJDNMTO-CQSZACIVSA-N	2	1	317.864	4.565	40	0		DJABMP