smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H](c1ccsc1)N1CCC(Oc2cccnc2)CC1	ZINC000095378584	426369217	/nfs/dbraw/zinc/36/92/17/426369217.db2.gz	VWXRLFQHRMMJAO-OAHLLOKOSA-N	-1	3	318.398	2.812	30	0		DFACHM
CC(=O)[N-]C(=O)c1ccc(-c2cccc(Br)c2)o1	ZINC000085346742	426249916	/nfs/dbraw/zinc/24/99/16/426249916.db2.gz	AQYQFSHYNURVGT-UHFFFAOYSA-N	-1	3	308.131	2.985	30	0		DFACHM
CCc1nccc(CN2CCC[C@](CC3CC3)(C(=O)[O-])C2)n1	ZINC000091604381	193078895	/nfs/dbraw/zinc/07/88/95/193078895.db2.gz	ZFPDNIRTVMOASW-QGZVFWFLSA-N	-1	3	303.406	2.506	30	0		DFACHM
O=C([O-])[C@H](c1ccsc1)N1CCC(Oc2cccnc2)CC1	ZINC000095378583	426369429	/nfs/dbraw/zinc/36/94/29/426369429.db2.gz	VWXRLFQHRMMJAO-HNNXBMFYSA-N	-1	3	318.398	2.812	30	0		DFACHM
COCc1nc(C[N-]c2nc(-c3ccccc3)no2)cs1	ZINC000095990345	426385502	/nfs/dbraw/zinc/38/55/02/426385502.db2.gz	PLLCGJZQEYYGRP-UHFFFAOYSA-N	-1	3	302.359	2.952	30	0		DFACHM
CC(=O)[N-]C(=O)c1ccc(-c2ccccc2Br)o1	ZINC000085346735	426249662	/nfs/dbraw/zinc/24/96/62/426249662.db2.gz	RFZIPDGJBKUYLJ-UHFFFAOYSA-N	-1	3	308.131	2.985	30	0		DFACHM
CC(=O)Cc1nn(-c2ccc(Br)cc2)c(=S)[n-]1	ZINC000005831403	181287807	/nfs/dbraw/zinc/28/78/07/181287807.db2.gz	ICQDMQJTMGDAGC-UHFFFAOYSA-N	-1	3	312.192	2.824	30	0		DFACHM
CCc1nccc(CN2CCC[C@@](CC3CC3)(C(=O)[O-])C2)n1	ZINC000091604378	193078597	/nfs/dbraw/zinc/07/85/97/193078597.db2.gz	ZFPDNIRTVMOASW-KRWDZBQOSA-N	-1	3	303.406	2.506	30	0		DFACHM
Cc1cccc(N2C[C@@H](NC(=O)c3ccc([O-])c(C)c3)CC2=O)c1	ZINC000067542155	425911468	/nfs/dbraw/zinc/91/14/68/425911468.db2.gz	KFTOAMAAUNXPMD-HNNXBMFYSA-N	-1	3	324.380	2.544	30	0		DFACHM
CC(=O)[N-]C(=O)c1ccc(-c2ccc(Br)cc2N)o1	ZINC000085346826	426250544	/nfs/dbraw/zinc/25/05/44/426250544.db2.gz	WFFLHXOUVKXGME-UHFFFAOYSA-N	-1	3	323.146	2.568	30	0		DFACHM
Cc1cccc(N2C[C@H](NC(=O)c3ccc([O-])c(C)c3)CC2=O)c1	ZINC000067542153	184471139	/nfs/dbraw/zinc/47/11/39/184471139.db2.gz	KFTOAMAAUNXPMD-OAHLLOKOSA-N	-1	3	324.380	2.544	30	0		DFACHM
CC(C)=CCC[C@]1(C)CCC(=O)N(CCc2cc(=O)[n-]cn2)C1	ZINC000091915234	193125840	/nfs/dbraw/zinc/12/58/40/193125840.db2.gz	QQSVDLYXOHDWKH-GOSISDBHSA-N	-1	3	317.433	2.688	30	0		DFACHM
O=c1cc(CSc2ccccc2)nc(NC[C@@H]2CCCO2)[n-]1	ZINC000058824235	184129139	/nfs/dbraw/zinc/12/91/39/184129139.db2.gz	VPYPDALXDPWLNW-ZDUSSCGKSA-N	-1	3	317.414	2.653	30	0		DFACHM
CC(=O)[N-]C(=O)c1ccc(-c2ccc(N)cc2Br)o1	ZINC000085346793	426250486	/nfs/dbraw/zinc/25/04/86/426250486.db2.gz	RJTXTZZWBAVWBY-UHFFFAOYSA-N	-1	3	323.146	2.568	30	0		DFACHM
CC[C@@H](CO)N(Cc1ccc(C(=O)[O-])cc1)Cc1ccccn1	ZINC000055414586	425893460	/nfs/dbraw/zinc/89/34/60/425893460.db2.gz	WVSYDLDWPLORFO-KRWDZBQOSA-N	-1	3	314.385	2.553	30	0		DFACHM
CC(C)=CCC[C@@]1(C)CCC(=O)N(CCc2cc(=O)[n-]cn2)C1	ZINC000091915235	193126196	/nfs/dbraw/zinc/12/61/96/193126196.db2.gz	QQSVDLYXOHDWKH-SFHVURJKSA-N	-1	3	317.433	2.688	30	0		DFACHM
O=C([O-])C1(n2cccn2)CCN(c2ccnc3ccccc32)CC1	ZINC000072481405	191181252	/nfs/dbraw/zinc/18/12/52/191181252.db2.gz	OKWIBTNQSZZLIB-UHFFFAOYSA-N	-1	3	322.368	2.512	30	0		DFACHM
CC(=O)[N-]C(=O)c1ccc(-c2ccc(Br)cc2)o1	ZINC000085346746	426250128	/nfs/dbraw/zinc/25/01/28/426250128.db2.gz	TTXIFBOUZQJLSU-UHFFFAOYSA-N	-1	3	308.131	2.985	30	0		DFACHM
O=c1cc(CSc2ccccc2)nc(NC[C@H]2CCCO2)[n-]1	ZINC000058824238	184129525	/nfs/dbraw/zinc/12/95/25/184129525.db2.gz	VPYPDALXDPWLNW-CYBMUJFWSA-N	-1	3	317.414	2.653	30	0		DFACHM
CCC(=O)NC(=S)Nc1cc(C)c([O-])c(Br)c1	ZINC000226243466	426617564	/nfs/dbraw/zinc/61/75/64/426617564.db2.gz	QQRAWUJJAXALBJ-UHFFFAOYSA-N	-1	3	317.208	2.686	30	0		DFACHM
CC[C@H](CO)N(Cc1ccc(C(=O)[O-])cc1)Cc1ccccn1	ZINC000055414589	425893571	/nfs/dbraw/zinc/89/35/71/425893571.db2.gz	WVSYDLDWPLORFO-QGZVFWFLSA-N	-1	3	314.385	2.553	30	0		DFACHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C\c1ccccc1	ZINC000056687990	425895784	/nfs/dbraw/zinc/89/57/84/425895784.db2.gz	XBFQNXGDGMKXNA-QXMHVHEDSA-N	-1	3	316.382	2.710	30	0		DFACHM