smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1	ZINC000007949577	170309322	/nfs/dbraw/zinc/30/93/22/170309322.db2.gz	VAOZIGNCIRWVGN-VXLYETTFSA-N	1	2	297.745	4.040	1	30		CIEFLO
Clc1ccc2c(NN=Cc3cccs3)cc[nH+]c2c1	ZINC000035328691	172128557	/nfs/dbraw/zinc/12/85/57/172128557.db2.gz	FCVCFHUYRQGYGU-MFOYZWKCSA-N	1	2	287.775	4.396	1	30		CIEFLO
Fc1ccccc1C=NNc1cc[nH+]c2cc(Cl)ccc12	ZINC000038376667	174140658	/nfs/dbraw/zinc/14/06/58/174140658.db2.gz	FKZNSUITXRTDDJ-JMIUGGIZSA-N	1	2	299.736	4.473	1	30		CIEFLO
Cc1cccc(C)c1CNc1cc[nH+]c2cc(C#N)ccc12	ZINC000045189438	175326416	/nfs/dbraw/zinc/32/64/16/175326416.db2.gz	QDHADVJYPXUHOJ-UHFFFAOYSA-N	1	2	287.366	4.335	1	30		CIEFLO
C=CC[NH+](CC=C)Cc1coc(-c2ccccc2Cl)n1	ZINC000072185169	176335706	/nfs/dbraw/zinc/33/57/06/176335706.db2.gz	NNMNKJXAPUHWDJ-UHFFFAOYSA-N	1	2	288.778	4.169	1	30		CIEFLO
C=CC[N@@H+](C)Cc1coc(-c2ccc(C(C)(C)C)cc2)n1	ZINC000072186410	176335727	/nfs/dbraw/zinc/33/57/27/176335727.db2.gz	HWMKBLYUNMIXDV-UHFFFAOYSA-N	1	2	284.403	4.257	1	30		CIEFLO
C=CC[N@H+](C)Cc1coc(-c2ccc(C(C)(C)C)cc2)n1	ZINC000072186410	176335728	/nfs/dbraw/zinc/33/57/28/176335728.db2.gz	HWMKBLYUNMIXDV-UHFFFAOYSA-N	1	2	284.403	4.257	1	30		CIEFLO
Oc1ccccc1C=NNc1cc[nH+]c2cc(Cl)ccc12	ZINC000005930539	170157180	/nfs/dbraw/zinc/15/71/80/170157180.db2.gz	ZCVIBKBIDXHWJL-VXLYETTFSA-N	1	2	297.745	4.040	1	30		CIEFLO
CCCCCCCCNc1[nH+]c(C)nc2[nH]ccc21	ZINC000043439772	175045789	/nfs/dbraw/zinc/04/57/89/175045789.db2.gz	SMJDGGZLESANES-UHFFFAOYSA-N	1	2	260.385	4.039	1	30		CIEFLO
C=CC[N@@H+]1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1	ZINC000095576142	185011197	/nfs/dbraw/zinc/01/11/97/185011197.db2.gz	ZKQFGVRAOKOGKT-BGYRXZFFSA-N	1	2	291.394	4.320	1	30		CIEFLO
C=CC[N@H+]1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1	ZINC000095576142	185011199	/nfs/dbraw/zinc/01/11/99/185011199.db2.gz	ZKQFGVRAOKOGKT-BGYRXZFFSA-N	1	2	291.394	4.320	1	30		CIEFLO
c1coc(C[NH+]=C(Nc2ccccc2)c2ccccc2)c1	ZINC000005732870	170134810	/nfs/dbraw/zinc/13/48/10/170134810.db2.gz	CVVDBZNYLIDZDR-UHFFFAOYSA-N	1	2	276.339	4.148	3	30		CIEFLO
Fc1ccccc1C=NNc1cc[nH+]c2cc(Cl)ccc12	ZINC000007949635	170309319	/nfs/dbraw/zinc/30/93/19/170309319.db2.gz	FKZNSUITXRTDDJ-KEBDBYFISA-N	1	2	299.736	4.473	1	30		CIEFLO
Fc1ccc2c(NN=Cc3ccc(Cl)cc3)cc[nH+]c2c1	ZINC000045302816	175355904	/nfs/dbraw/zinc/35/59/04/175355904.db2.gz	ZPISWTZTWHDBNA-KEBDBYFISA-N	1	2	299.736	4.473	1	30		CIEFLO
Oc1cccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)c1	ZINC000004871801	170034880	/nfs/dbraw/zinc/03/48/80/170034880.db2.gz	LRNSKUAJVCOMEN-VXLYETTFSA-N	1	2	297.745	4.040	1	30		CIEFLO