smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1csc(NC2=NCCN2)n1	45302081	572526764	/nfs/dbraw/zinc/52/67/64/572526764.db2.gz	IYFXPCDDTKJSTG-UHFFFAOYSA-N	0	1	182.252	0.632	1	30		ACEFMN
C#CCn1cc[nH+]c1/C=N/[O-]	103253214	166036005	/nfs/dbraw/zinc/03/60/05/166036005.db2.gz	PKYYLLPYZNMXIZ-RMKNXTFCSA-N	0	1	149.153	0.324	1	30		ACEFMN
C=CC[N+](C)(C)NCCC(=O)[O-]	169309017	166206596	/nfs/dbraw/zinc/20/65/96/166206596.db2.gz	HSTMWXBYAVPDQC-UHFFFAOYSA-O	0	1	173.236	0.228	1	30		ACEFMN
CC(=O)N1CCC[C@@H]1C#CCN(C)C	3777978	166261840	/nfs/dbraw/zinc/26/18/40/166261840.db2.gz	CPIUMVHVTRAEHA-NSHDSACASA-N	0	1	194.278	0.562	1	30		ACEFMN
CC(=O)N1CCC[C@H]1C#CCN(C)C	12240	166262154	/nfs/dbraw/zinc/26/21/54/166262154.db2.gz	CPIUMVHVTRAEHA-LLVKDONJSA-N	0	1	194.278	0.562	1	30		ACEFMN
CN(C)CC#C[C@@H]1CCC(=O)N1C	27990019	167831098	/nfs/dbraw/zinc/83/10/98/167831098.db2.gz	GIXNSQJALPPKCL-SECBINFHSA-N	0	1	180.251	0.172	1	30		ACEFMN
CO/N=C(/C#N)[C@H]1CN2CCC1CC2	53204545	168075239	/nfs/dbraw/zinc/07/52/39/168075239.db2.gz	IQWCBYSUUOFOMF-ZJVCQKQLSA-N	0	1	193.250	0.854	1	30		ACEFMN
CO/N=C(/C#N)[C@@H]1CN2CCC1CC2	53204543	168075395	/nfs/dbraw/zinc/07/53/95/168075395.db2.gz	IQWCBYSUUOFOMF-IHHQEMEHSA-N	0	1	193.250	0.854	1	30		ACEFMN
CO/N=C(\C#N)C12CCN(CC1)C2	13776020	168075742	/nfs/dbraw/zinc/07/57/42/168075742.db2.gz	LRXMLERJAJTUBK-DHZHZOJOSA-N	0	1	179.223	0.608	1	30		ACEFMN
COC(=O)N(C)[C@H](C)C#CCN(C)C	13823333	168098371	/nfs/dbraw/zinc/09/83/71/168098371.db2.gz	IUFKECYRCCVLGO-SECBINFHSA-N	0	1	198.266	0.638	1	30		ACEFMN
COC(=O)N(C)[C@@H](C)C#CCN(C)C	13823331	168098406	/nfs/dbraw/zinc/09/84/06/168098406.db2.gz	IUFKECYRCCVLGO-VIFPVBQESA-N	0	1	198.266	0.638	1	30		ACEFMN
COCCC/N=C(/C=N/O)N(C)C	73257763	168152791	/nfs/dbraw/zinc/15/27/91/168152791.db2.gz	SAFFPFLKERHZOI-ABGYPUNPSA-N	0	1	187.243	0.443	1	30		ACEFMN
C[C@@H](C=O)CC#CCN(C)C	27892750	168332354	/nfs/dbraw/zinc/33/23/54/168332354.db2.gz	JXJNMRGNHMLRNS-SECBINFHSA-N	0	1	153.225	0.777	1	30		ACEFMN
N/C(=N\O)N1CC[C@@H]2C=CC=C[C@H]2C1	28098633	169132530	/nfs/dbraw/zinc/13/25/30/169132530.db2.gz	CBDNYVJUPXWEHI-IUCAKERBSA-N	0	1	193.250	0.754	1	30		ACEFMN
N/C(=N\O)N1CC[C@@H]2C=CC=C[C@@H]2C1	28098621	169133043	/nfs/dbraw/zinc/13/30/43/169133043.db2.gz	CBDNYVJUPXWEHI-DTWKUNHWSA-N	0	1	193.250	0.754	1	30		ACEFMN
N/C(=N\O)N1CC[C@H]2C=CC=C[C@H]2C1	28098639	169133173	/nfs/dbraw/zinc/13/31/73/169133173.db2.gz	CBDNYVJUPXWEHI-BDAKNGLRSA-N	0	1	193.250	0.754	1	30		ACEFMN
N/C(=N\O)N1CC[C@H]2C=CC=C[C@@H]2C1	28098627	169133743	/nfs/dbraw/zinc/13/37/43/169133743.db2.gz	CBDNYVJUPXWEHI-RKDXNWHRSA-N	0	1	193.250	0.754	1	30		ACEFMN
N=C(NO)NN=Cc1cccs1	6513094	169143265	/nfs/dbraw/zinc/14/32/65/169143265.db2.gz	OFOQUBZTGOCYER-XBXARRHUSA-N	0	1	184.224	0.585	1	30		ACEFMN
O=C1CCc2ccccc2C(=O)N1O	3626186	169377426	/nfs/dbraw/zinc/37/74/26/169377426.db2.gz	IRJZIZKBNPSVEX-UHFFFAOYSA-N	0	1	191.186	0.991	1	30		ACEFMN
O=C1Cc2ccccc2CC(=O)N1O	3626187	169383984	/nfs/dbraw/zinc/38/39/84/169383984.db2.gz	DQAXPTQNKZMKAH-UHFFFAOYSA-N	0	1	191.186	0.530	1	30		ACEFMN
C=C=CC(=O)C1=CCN(C)CC1	27647851	171046959	/nfs/dbraw/zinc/04/69/59/171046959.db2.gz	BFJRTWBKFXYCIK-UHFFFAOYSA-N	0	1	163.220	0.841	1	30		ACEFMN
C[n+]1ccc(/C=N/[O-])c(F)c1	40981101	171081512	/nfs/dbraw/zinc/08/15/12/171081512.db2.gz	GOIFAGYTACLHFG-UHFFFAOYSA-O	0	1	155.152	0.458	1	30		ACEFMN
C#CCCOCn1cc[nH+]c1/C=N/[O-]	55685110	171099939	/nfs/dbraw/zinc/09/99/39/171099939.db2.gz	XRXDLKBYPQHCIO-YRNVUSSQSA-N	0	1	193.206	0.689	1	30		ACEFMN
[O-][n+]1onc2ccc(/C=N/O)cc21	66252303	171104270	/nfs/dbraw/zinc/10/42/70/171104270.db2.gz	LZHFJJUPIXOFDD-XBXARRHUSA-N	0	1	179.135	0.269	1	30		ACEFMN
CCC/N=C(/C=N/O)N(C)C	73279850	171111513	/nfs/dbraw/zinc/11/15/13/171111513.db2.gz	PQJWLDHHBMBKDM-SOKJVCRVSA-N	0	1	157.217	0.817	1	30		ACEFMN
CC(=O)CCC#CCN(C)C	2038240	171207804	/nfs/dbraw/zinc/20/78/04/171207804.db2.gz	UYTLBASHEWACKP-UHFFFAOYSA-N	0	1	153.225	0.921	1	30	in-vivo	ACEFMN