smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2cc[nH]n2c(=O)c1CCC(=O)N[C@H](CO)C(C)C	ZINC000218545937	337383665	/nfs/dbraw/zinc/38/36/65/337383665.db2.gz	FQBWTHHKTKIOHL-GFCCVEGCSA-N	0	2	306.366	0.397	50	70		DCIALN
Cc1cc(CC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)on1	ZINC000217173945	201512014	/nfs/dbraw/zinc/51/20/14/201512014.db2.gz	VBPBGXKIYPWGAX-AWEZNQCLSA-N	0	2	320.349	0.180	50	70		DCIALN
CCc1ccc(CNC(=O)CCn2ccc(=O)[nH]c2=O)nc1	ZINC000217151965	201512571	/nfs/dbraw/zinc/51/25/71/201512571.db2.gz	LKGSUNJPGXYKSO-UHFFFAOYSA-N	0	2	302.334	0.201	50	70		DCIALN
O=C(CCn1cnnn1)NCc1cnn(Cc2ccccc2)c1	ZINC000217177401	201512215	/nfs/dbraw/zinc/51/22/15/201512215.db2.gz	NYUGQJGFHXAYSM-UHFFFAOYSA-N	0	2	311.349	0.624	50	70		DCIALN
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H]1c1nccs1	ZINC000217197297	201512621	/nfs/dbraw/zinc/51/26/21/201512621.db2.gz	CSTGAZDGDSZHRU-SNVBAGLBSA-N	0	2	320.374	0.734	50	70		DCIALN
Cc1c(CNC(=O)Cc2nn3c(nc(C)cc3=O)[nH]2)cnn1C	ZINC000217165117	563713322	/nfs/dbraw/zinc/71/33/22/563713322.db2.gz	VSHNPWMBUKBLKX-UHFFFAOYSA-N	0	2	315.337	0.039	50	70		DCIALN
Cc1nn2c(ncc(C(=O)N(C)C3CCSCC3)c2=O)[nH]1	ZINC000218051703	395841492	/nfs/dbraw/zinc/84/14/92/395841492.db2.gz	FGEPLOSNDAZCEO-UHFFFAOYSA-N	0	2	307.379	0.694	50	70		DCIALN
CC[N@@H+](C)CCC[NH+]1CCN(c2cc(=O)[nH]cn2)C[C@@H](O)C1	ZINC000217803111	395840917	/nfs/dbraw/zinc/84/09/17/395840917.db2.gz	FLYSXVKPNFMYJG-ZDUSSCGKSA-N	0	2	309.414	0.007	50	70		DCIALN
CC[NH+](C)CCC[N@@H+]1CCN(c2cc(=O)[nH]cn2)C[C@@H](O)C1	ZINC000217803111	395840920	/nfs/dbraw/zinc/84/09/20/395840920.db2.gz	FLYSXVKPNFMYJG-ZDUSSCGKSA-N	0	2	309.414	0.007	50	70		DCIALN
CCCc1cc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)[nH]n1	ZINC000217450347	395839489	/nfs/dbraw/zinc/83/94/89/395839489.db2.gz	FXFZMTHVVSHJSF-NSHDSACASA-N	0	2	307.354	0.309	50	70		DCIALN
CCCc1cc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)n[nH]1	ZINC000217450347	395839491	/nfs/dbraw/zinc/83/94/91/395839491.db2.gz	FXFZMTHVVSHJSF-NSHDSACASA-N	0	2	307.354	0.309	50	70		DCIALN
CN(C(=O)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1	ZINC000217211932	201512233	/nfs/dbraw/zinc/51/22/33/201512233.db2.gz	XDEGGNYPFNKZQW-SECBINFHSA-N	0	2	321.358	0.182	50	70		DCIALN
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nn2c(nc(C)cc2=O)[nH]1	ZINC000218488516	395842758	/nfs/dbraw/zinc/84/27/58/395842758.db2.gz	QTZPGCHNWNOWHF-MWLCHTKSSA-N	0	2	321.381	0.182	50	70		DCIALN
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2cc[nH]n2c1=O	ZINC000218534677	337383622	/nfs/dbraw/zinc/38/36/22/337383622.db2.gz	DGZAMQHYARZLGV-ZWNOBZJWSA-N	0	2	320.393	0.787	50	70		DCIALN
Cn1c(CO)nnc1C1CCN(C(=O)c2ccc(N)nc2)CC1	ZINC000217191317	201512332	/nfs/dbraw/zinc/51/23/32/201512332.db2.gz	LMCPSHLHIYAERY-UHFFFAOYSA-N	0	2	316.365	0.304	50	70		DCIALN
Cc1cc(=O)[nH]c(NCCNC(=O)c2ccc3[nH]nnc3c2)n1	ZINC000217847102	395840584	/nfs/dbraw/zinc/84/05/84/395840584.db2.gz	NGNCSOOIUZAFQN-UHFFFAOYSA-N	0	2	313.321	0.192	50	70		DCIALN
Cc1nn2c(nc(C)c(CCC(=O)N[C@H](CO)C(C)C)c2=O)[nH]1	ZINC000218475938	395842799	/nfs/dbraw/zinc/84/27/99/395842799.db2.gz	ONEXSMYYLAHJGE-GFCCVEGCSA-N	0	2	321.381	0.100	50	70		DCIALN
O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCCN1C(=O)C1CCCCC1	ZINC000217654122	395839974	/nfs/dbraw/zinc/83/99/74/395839974.db2.gz	VNPINMNEEFAEFF-NSHDSACASA-N	0	2	321.381	0.286	50	70		DCIALN
CNc1nc(N2CCCn3nc([C@H](O)CO)cc3C2)ncc1F	ZINC000217180247	201511795	/nfs/dbraw/zinc/51/17/95/201511795.db2.gz	QZANRTQVBNRBKD-GFCCVEGCSA-N	0	2	322.344	0.290	50	70		DCIALN
Cc1nn2c(ncc(C(=O)N(C)[C@@H](C)c3ccncc3)c2=O)[nH]1	ZINC000217382445	395838462	/nfs/dbraw/zinc/83/84/62/395838462.db2.gz	ZRPXKFPOKRORRV-VIFPVBQESA-N	0	2	312.333	0.954	50	70		DCIALN
Cc1nn2c(ncc(C(=O)N(C)[C@H](C)c3ccncc3)c2=O)[nH]1	ZINC000217382521	395838478	/nfs/dbraw/zinc/83/84/78/395838478.db2.gz	ZRPXKFPOKRORRV-SECBINFHSA-N	0	2	312.333	0.954	50	70		DCIALN
CCOC(C)(C)C(=O)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC000217179391	201511188	/nfs/dbraw/zinc/51/11/88/201511188.db2.gz	QJLBNRKYYOEZCY-ZDUSSCGKSA-N	0	2	311.382	0.456	50	70		DCIALN