smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN[C@@H](C)c1ccccc1Cl	19875450	166025039	/nfs/dbraw/zinc/02/50/39/166025039.db2.gz	ZWJHIVHEGFFUCO-VIFPVBQESA-N	0	1	193.677	2.624	40	30		AFEBMN
C#CCN[C@H](C)c1ccccc1Cl	19875449	166026538	/nfs/dbraw/zinc/02/65/38/166026538.db2.gz	ZWJHIVHEGFFUCO-SECBINFHSA-N	0	1	193.677	2.624	40	30		AFEBMN
O/N=C\c1cccc(C(F)(F)F)c1	100417040	169315124	/nfs/dbraw/zinc/31/51/24/169315124.db2.gz	GIONPAPDKZQLTK-XGICHPGQSA-N	0	1	189.136	2.514	40	30		AFEBMN
O=C1CC(=O)CC2(CCCCC2)C1	3888394	171010317	/nfs/dbraw/zinc/01/03/17/171010317.db2.gz	QLXXMQIQECQMEO-UHFFFAOYSA-N	0	1	180.247	2.742	40	30		AFEBMN
CCCCCCCCN1CCOCC1	59663541	171101751	/nfs/dbraw/zinc/10/17/51/171101751.db2.gz	NMLNNXGEQCSYGQ-UHFFFAOYSA-N	0	1	199.338	2.679	40	30		AFEBMN
O/N=C(\Cl)c1cccc(Cl)c1	91691904	171134684	/nfs/dbraw/zinc/13/46/84/171134684.db2.gz	WQWDKLMCIBTGKV-YFHOEESVSA-N	0	1	190.029	2.715	40	30		AFEBMN
CCCCCCCC(=O)C=C(C)O	104361701	171164466	/nfs/dbraw/zinc/16/44/66/171164466.db2.gz	PZMFITAWSPYPDV-UHFFFAOYSA-N	0	1	184.279	2.895	40	30		AFEBMN
CC(O)=CC(=O)C=Cc1ccccc1	104260295	204020514	/nfs/dbraw/zinc/02/05/14/204020514.db2.gz	FIJBWLCUNYRCGK-ANKZSMJWSA-N	0	1	188.226	2.731	40	30		AFEBMN
CC(O)=CC(=O)C=Cc1ccccc1	104260288	204020523	/nfs/dbraw/zinc/02/05/23/204020523.db2.gz	FIJBWLCUNYRCGK-HVTAIUIQSA-N	0	1	188.226	2.731	40	30		AFEBMN
CC(O)=CC(=O)C=Cc1ccccc1	104260300	204020553	/nfs/dbraw/zinc/02/05/53/204020553.db2.gz	FIJBWLCUNYRCGK-GHYOLMRSSA-N	0	1	188.226	2.731	40	30		AFEBMN
CC(O)=CC(=O)C=Cc1ccccc1	104260291	204020573	/nfs/dbraw/zinc/02/05/73/204020573.db2.gz	FIJBWLCUNYRCGK-JNWHFCKMSA-N	0	1	188.226	2.731	40	30		AFEBMN
C[C@H](C#N)c1cnc(-c2ccccc2)[nH]1	66339251	343410325	/nfs/dbraw/zinc/41/03/25/343410325.db2.gz	UAFNNYNGQVOTOM-SECBINFHSA-N	0	1	197.241	2.704	40	30		AFEBMN
CCCCCCCC(=N)OC	97978859	343704028	/nfs/dbraw/zinc/70/40/28/343704028.db2.gz	KDRRLFSYTILGHK-UHFFFAOYSA-N	0	1	157.257	2.971	40	30	in-vitro	AFEBMN
CC(C)(C)C#C/C=N\C(C)(C)C	5379465	351342504	/nfs/dbraw/zinc/34/25/04/351342504.db2.gz	PGWCOAAEHBPBIR-XFXZXTDPSA-N	0	1	165.280	2.905	40	30		AFEBMN
ON=Cc1cccc(C(F)(F)F)c1	242495529	351827315	/nfs/dbraw/zinc/82/73/15/351827315.db2.gz	GIONPAPDKZQLTK-UHFFFAOYSA-N	0	1	189.136	2.514	40	30		AFEBMN
ON=Cc1ccc(C(F)(F)F)cc1	252470020	351838488	/nfs/dbraw/zinc/83/84/88/351838488.db2.gz	MNDYDYTXPOFXLS-UHFFFAOYSA-N	0	1	189.136	2.514	40	30		AFEBMN