smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=S)CSc1ccc(C)cc1	228943636	518498472	/nfs/dbraw/zinc/49/84/72/518498472.db2.gz	ZBTPOSKDQGCPMW-UHFFFAOYSA-N	0	0	196.340	3.477	40	10		AGCBRN
S=C(c1ccccc1)C1CCC1	228960324	526387312	/nfs/dbraw/zinc/38/73/12/526387312.db2.gz	QADZHFAZXFSCGK-UHFFFAOYSA-N	0	0	176.284	3.205	40	10		AGCBRN
CC(=S)/C=C/c1cccs1	83261592	166338288	/nfs/dbraw/zinc/33/82/88/166338288.db2.gz	UDVAGEHCCWISFM-SNAWJCMRSA-N	0	0	168.286	3.151	40	10		AGCBRN
CC(=S)Cc1cccc(Cl)c1	228976727	166338811	/nfs/dbraw/zinc/33/88/11/166338811.db2.gz	VJRXLIIQNAWIEG-UHFFFAOYSA-N	0	0	184.691	3.272	40	10		AGCBRN
CC(C)(Cl)/N=N\C(C)(C)Cl	104148853	166398838	/nfs/dbraw/zinc/39/88/38/166398838.db2.gz	OENGLXLUGBDTES-KTKRTIGZSA-N	0	0	183.082	3.388	40	10		AGCBRN
CC(C)(Cl)/N=N/C(C)(C)Cl	17001429	166399158	/nfs/dbraw/zinc/39/91/58/166399158.db2.gz	OENGLXLUGBDTES-MDZDMXLPSA-N	0	0	183.082	3.388	40	10		AGCBRN
CC(C)c1ccc(C(C)C)c(O)c1O	1621009	166628781	/nfs/dbraw/zinc/62/87/81/166628781.db2.gz	GSYRNBLFBPODTD-UHFFFAOYSA-N	0	0	194.274	3.345	40	10		AGCBRN
CC1(C)[C@@H]2CC[C@@]1(C)CC2=S	2023135	166700404	/nfs/dbraw/zinc/70/04/04/166700404.db2.gz	SKEQOMRGTLUDPW-XCBNKYQSSA-N	0	0	168.305	3.203	40	10		AGCBRN
CCN(CC)/N=N/c1ccccc1	17721679	167160313	/nfs/dbraw/zinc/16/03/13/167160313.db2.gz	JHPQXSWFRNIFCC-VAWYXSNFSA-N	0	0	177.251	3.027	40	10		AGCBRN
Nc1ccc(CC2CCCC2)cc1	34075880	169291049	/nfs/dbraw/zinc/29/10/49/169291049.db2.gz	HLGGEQDQQGRVQY-UHFFFAOYSA-N	0	0	175.275	3.002	40	10		AGCBRN
O=NNc1ccc(-c2ccccc2)cn1	12951814	169315187	/nfs/dbraw/zinc/31/51/87/169315187.db2.gz	OBLZPTDQYCPOHJ-UHFFFAOYSA-N	0	0	199.213	3.222	40	10		AGCBRN
c1ccc(/N=N\c2ccc[nH]2)cc1	104092133	169475055	/nfs/dbraw/zinc/47/50/55/169475055.db2.gz	AVOVOVHRXURMSS-SEYXRHQNSA-N	0	0	171.203	3.430	40	10		AGCBRN
CCCN=NNc1ccc(C)cc1	2391036	171005278	/nfs/dbraw/zinc/00/52/78/171005278.db2.gz	IWQQNPRIJQLWFE-UHFFFAOYSA-N	0	0	177.251	3.184	40	10		AGCBRN
CC1(C)[C@H]2CC[C@]1(C)CC2=S	2023132	342967327	/nfs/dbraw/zinc/96/73/27/342967327.db2.gz	SKEQOMRGTLUDPW-OIBJUYFYSA-N	0	0	168.305	3.203	40	10		AGCBRN
CC1(C)[C@H]2CC[C@]1(C)C(=S)C2	2028345	342967644	/nfs/dbraw/zinc/96/76/44/342967644.db2.gz	AAADKYXUTOBAGS-OIBJUYFYSA-N	0	0	168.305	3.203	40	10		AGCBRN
Cc1ccc(NN=NC(C)C)cc1	2522764	342974089	/nfs/dbraw/zinc/97/40/89/342974089.db2.gz	AGDYKCPGMDASQO-UHFFFAOYSA-N	0	0	177.251	3.183	40	10		AGCBRN
Cc1ccc(Cn2c(C)ccc2C)cc1	8729265	343020447	/nfs/dbraw/zinc/02/04/47/343020447.db2.gz	OCKLSLNADYLNNG-UHFFFAOYSA-N	0	0	199.297	3.462	40	10		AGCBRN
Cc1c[nH]c(N=Nc2ccccc2)n1	17301401	343046301	/nfs/dbraw/zinc/04/63/01/343046301.db2.gz	UUDXRZFRPOKNDK-BUHFOSPRSA-N	0	0	186.218	3.134	40	10		AGCBRN
CCCCN=NNc1ccccc1	17837024	343047463	/nfs/dbraw/zinc/04/74/63/343047463.db2.gz	DKACJJZOUYNKIM-UHFFFAOYSA-N	0	0	177.251	3.266	40	10		AGCBRN
Cc1c[nH]c(N=Nc2ccccc2)n1	102873198	343726194	/nfs/dbraw/zinc/72/61/94/343726194.db2.gz	UUDXRZFRPOKNDK-YPKPFQOOSA-N	0	0	186.218	3.134	40	10		AGCBRN
c1csc(SCc2ccoc2)n1	4265733	351326541	/nfs/dbraw/zinc/32/65/41/351326541.db2.gz	UFCQNBYGWAHPQS-UHFFFAOYSA-N	0	0	197.284	3.028	40	10		AGCBRN
O=C1C=CC=CC1=NNc1ccc[nH]1	5583542	351345648	/nfs/dbraw/zinc/34/56/48/351345648.db2.gz	FLDNAVQBEWUPNY-OUKQBFOZSA-N	0	0	187.202	3.136	40	10		AGCBRN
CC(=S)CSc1ccccc1	143685626	351746982	/nfs/dbraw/zinc/74/69/82/351746982.db2.gz	HVMGROAGBKAUQJ-UHFFFAOYSA-N	0	0	182.313	3.169	40	10		AGCBRN
CC(C)(C)/N=N/C(C)(C)C	16322845	371622265	/nfs/dbraw/zinc/62/22/65/371622265.db2.gz	GKCPCPKXFGQXGS-MDZDMXLPSA-N	0	0	142.246	3.036	40	10		AGCBRN