smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cnn(C(F)(F)F)c1	217571973	534972316	/nfs/dbraw/zinc/97/23/16/534972316.db2.gz	NWEBOUMNZRJLMU-UHFFFAOYSA-N	0	0	151.091	0.942	50	70		ACIARN
CCOC(=O)n1oc(N)cc1=O	216629951	167378424	/nfs/dbraw/zinc/37/84/24/167378424.db2.gz	QZPYTXJJXWWOOU-UHFFFAOYSA-N	0	0	172.140	0.028	50	70	in-vitro	ACIARN
CCOC([SiH3])(OCC)OCC	206572001	167379684	/nfs/dbraw/zinc/37/96/84/167379684.db2.gz	NKLYMYLJOXIVFB-UHFFFAOYSA-N	0	0	178.304	0.073	50	70		ACIARN
COC(=O)c1cn(C)c(C)cc1=O	217048291	168136451	/nfs/dbraw/zinc/13/64/51/168136451.db2.gz	LSAWJSRWNFCMNB-UHFFFAOYSA-N	0	0	181.191	0.480	50	70		ACIARN
COC(OC)[SiH2]c1ccccc1	205883658	168142698	/nfs/dbraw/zinc/14/26/98/168142698.db2.gz	FNLUYENEAPLWBT-UHFFFAOYSA-N	0	0	182.295	0.057	50	70		ACIARN
Cc1nc2n(c(=O)c1C)CCCN2	159611724	168960308	/nfs/dbraw/zinc/96/03/08/168960308.db2.gz	ZUTHGIKTPHYPAE-UHFFFAOYSA-N	0	0	179.223	0.676	50	70		ACIARN
N[S@@](=O)CC(F)(F)F	216654497	169282085	/nfs/dbraw/zinc/28/20/85/169282085.db2.gz	UVJUCYNOWRPOFN-QMMMGPOBSA-N	0	0	147.121	0.171	50	70	in-vitro	ACIARN
N[S@](=O)CC(F)(F)F	216654548	169282184	/nfs/dbraw/zinc/28/21/84/169282184.db2.gz	UVJUCYNOWRPOFN-MRVPVSSYSA-N	0	0	147.121	0.171	50	70	in-vitro	ACIARN
O=C1CC(C(F)F)CC(=O)N1	217644025	169368812	/nfs/dbraw/zinc/36/88/12/169368812.db2.gz	XVZYKLCCRCJWPO-UHFFFAOYSA-N	0	0	163.123	0.304	50	70		ACIARN
[SiH3]Cc1ccccc1	169818217	169469607	/nfs/dbraw/zinc/46/96/07/169469607.db2.gz	UWAXDPWQPGZNIO-UHFFFAOYSA-N	0	0	122.243	0.552	50	70		ACIARN
C[SiH2]c1ccccc1	169747834	171165861	/nfs/dbraw/zinc/16/58/61/171165861.db2.gz	QRLBICHXRCOJDU-UHFFFAOYSA-N	0	0	122.243	0.529	50	70		ACIARN
C[SiH](C)c1ccccn1	170161216	171166152	/nfs/dbraw/zinc/16/61/52/171166152.db2.gz	FTSXFFCALJHVGU-UHFFFAOYSA-N	0	0	137.258	0.775	50	70		ACIARN
CC(C)[C@@]1(C2CC2)NC(=O)NC1=O	216658081	344398628	/nfs/dbraw/zinc/39/86/28/344398628.db2.gz	ZWBYRKDZNUBXIN-VIFPVBQESA-N	0	0	182.223	0.631	50	70	in-vitro	ACIARN
CC(C)[C@]1(C2CC2)NC(=O)NC1=O	216658039	344398783	/nfs/dbraw/zinc/39/87/83/344398783.db2.gz	ZWBYRKDZNUBXIN-SECBINFHSA-N	0	0	182.223	0.631	50	70	in-vitro	ACIARN
Cc1ccc2c(C(N)=O)[nH]nc2c1	217720626	344405551	/nfs/dbraw/zinc/40/55/51/344405551.db2.gz	GPWPDULHZVFFHI-UHFFFAOYSA-N	0	0	175.191	0.970	50	70	in-vitro	ACIARN
C[S@](=N)(=O)C1CC1	218318316	344411392	/nfs/dbraw/zinc/41/13/92/344411392.db2.gz	LNTPJYRBBKGUMA-ZETCQYMHSA-N	0	0	119.189	0.825	50	70		ACIARN
C[S@@](=N)(=O)C1CC1	218318253	344411478	/nfs/dbraw/zinc/41/14/78/344411478.db2.gz	LNTPJYRBBKGUMA-SSDOTTSWSA-N	0	0	119.189	0.825	50	70		ACIARN
CCc1cn(C)c(N)[nH+]1	218533596	344413351	/nfs/dbraw/zinc/41/33/51/344413351.db2.gz	VOUUUJLGKIVVSA-UHFFFAOYSA-N	0	0	125.175	0.565	50	70		ACIARN
Cn1nccc1C(=O)c1ccnn1C	160081737	351755860	/nfs/dbraw/zinc/75/58/60/351755860.db2.gz	RSEBZFKHMOONCZ-UHFFFAOYSA-N	0	0	190.206	0.385	50	70		ACIARN
CCO[C@H]1C[C@H](NN)C1	216655818	351788378	/nfs/dbraw/zinc/78/83/78/351788378.db2.gz	QSNOVFKYDUZEOS-OLQVQODUSA-N	0	0	130.191	0.017	50	70		ACIARN