smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H]2Sc3ccccc3-n3c(C[NH+]4CCOCC4)ccc32)cc1	ZINC000013651950	210076223	/nfs/dbraw/zinc/07/62/23/210076223.db2.gz	ITLDTMVIVXQASZ-QHCPKHFHSA-N	1	2	392.524	4.513	1	10		GJCFLO
COc1ccc(N2CCN(c3cc(-c4ccccn4)[nH+]c4ccccc43)CC2)cc1	ZINC000096269562	136185985	/nfs/dbraw/zinc/18/59/85/136185985.db2.gz	JSKOBBAIXHUWTC-UHFFFAOYSA-N	1	2	396.494	4.632	1	10		GJCFLO
CCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2[N@@H+]1CC	ZINC000084652817	205397529	/nfs/dbraw/zinc/39/75/29/205397529.db2.gz	QWJJIBQBWBMPAX-UMCBVKHQSA-N	1	2	379.460	4.809	1	10		GJCFLO
CCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2[N@H+]1CC	ZINC000084652817	205397534	/nfs/dbraw/zinc/39/75/34/205397534.db2.gz	QWJJIBQBWBMPAX-UMCBVKHQSA-N	1	2	379.460	4.809	1	10		GJCFLO
COc1ccc([C@H]2Sc3ccccc3-n3c(C[NH+]4CCOCC4)ccc32)cc1	ZINC000013651951	210075947	/nfs/dbraw/zinc/07/59/47/210075947.db2.gz	ITLDTMVIVXQASZ-HSZRJFAPSA-N	1	2	392.524	4.513	1	10		GJCFLO
CN1C(=O)/C(=C/c2[nH+]c(-c3ccccc3F)n3ccccc23)c2cc(F)ccc21	ZINC000072109733	211069795	/nfs/dbraw/zinc/06/97/95/211069795.db2.gz	XDLWGOXPVCNESM-GHRIWEEISA-N	1	2	387.389	4.797	1	10		GJCFLO
COc1ccc(-c2[nH+]c(/C=C3\c4ccccc4N(C)C3=O)c3ccccn32)cc1	ZINC000072107155	222205727	/nfs/dbraw/zinc/20/57/27/222205727.db2.gz	SRQQSOJCAJMKFP-XDJHFCHBSA-N	1	2	381.435	4.527	1	10		GJCFLO
C[C@H]1C(=O)[C@H](C)[C@@H](c2cc(Cl)ccc2O)[NH2+][C@H]1c1cc(Cl)ccc1O	ZINC000015962802	210179494	/nfs/dbraw/zinc/17/94/94/210179494.db2.gz	YBLSMVRDZNJMBC-BLPKXUGASA-N	1	2	380.271	4.632	1	10		GJCFLO
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3c(F)cccc23)cc1	ZINC000026841352	207318737	/nfs/dbraw/zinc/31/87/37/207318737.db2.gz	YGMPXDXJCRNJNC-UHFFFAOYSA-N	1	2	381.432	4.642	1	10		GJCFLO
CCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2[N@@H+]1C	ZINC000084652816	208095104	/nfs/dbraw/zinc/09/51/04/208095104.db2.gz	HZCKRYFGJYNYBV-UMCBVKHQSA-N	1	2	379.460	4.809	1	10		GJCFLO
CCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2[N@H+]1C	ZINC000084652816	208095110	/nfs/dbraw/zinc/09/51/10/208095110.db2.gz	HZCKRYFGJYNYBV-UMCBVKHQSA-N	1	2	379.460	4.809	1	10		GJCFLO
C[C@H]1C(=O)[C@H](C)[C@H](c2cc(Cl)ccc2O)[NH2+][C@H]1c1cc(Cl)ccc1O	ZINC000015962806	207068933	/nfs/dbraw/zinc/06/89/33/207068933.db2.gz	YBLSMVRDZNJMBC-UBVDWCKXSA-N	1	2	380.271	4.632	1	10		GJCFLO
Cc1ccc(-c2[nH+]c(/C=C3\c4cc(F)ccc4N(C)C3=O)c3ccccn32)cc1	ZINC000072109888	222205709	/nfs/dbraw/zinc/20/57/09/222205709.db2.gz	ZCQYZGYOUIPILS-XMHGGMMESA-N	1	2	383.426	4.966	1	10		GJCFLO