smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCN1CCC(C(F)(F)F)CC1	ZINC000083879664	398072631	/nfs/dbraw/zinc/07/26/31/398072631.db2.gz	ZVKCRWNVONROAC-UHFFFAOYSA-N	0	0	206.211	2.174	30	30		BEECRN
CCOc1ccc(CC=O)cc1OCC	ZINC000055230474	491066791	/nfs/dbraw/zinc/06/67/91/491066791.db2.gz	DFRSGLWCOKPLEN-UHFFFAOYSA-N	0	0	208.257	2.225	30	30		BEECRN
CCOC(=O)/N=C/c1ccc(OC)cc1	ZINC000002510990	170183667	/nfs/dbraw/zinc/18/36/67/170183667.db2.gz	CDBOLBWUDUAOPR-XYOKQWHBSA-N	0	0	207.229	2.271	30	30		BEECRN
CCOC(=CC(=O)C(F)(F)F)N[C@H](C)CC	ZINC000079387655	170179282	/nfs/dbraw/zinc/17/92/82/170179282.db2.gz	PMLREVMOWYIPAG-TUOMEMKJSA-N	0	0	239.237	2.384	30	30		BEECRN
C/C(=N\O)c1ccc2c(c1)OCCCO2	ZINC000210574523	487917782	/nfs/dbraw/zinc/91/77/82/487917782.db2.gz	KAJUEPSASIYCGN-XYOKQWHBSA-N	0	0	207.229	2.046	30	30		BEECRN
N#CCCOc1ccc(F)c(F)c1F	ZINC000095733852	386544441	/nfs/dbraw/zinc/54/44/41/386544441.db2.gz	YCMCDSRSQPUGII-UHFFFAOYSA-N	0	0	201.147	2.396	30	30		BEECRN
Cc1ccccc1-c1csc(NC(=N)N)n1	ZINC000027630935	179237290	/nfs/dbraw/zinc/23/72/90/179237290.db2.gz	LLVXYMYECOBAHK-UHFFFAOYSA-N	0	0	232.312	2.023	30	30		BEECRN
CCOC(=CC(=O)C(F)(F)F)N[C@@H](C)CC	ZINC000079387656	170179142	/nfs/dbraw/zinc/17/91/42/170179142.db2.gz	PMLREVMOWYIPAG-QCCBYXMRSA-N	0	0	239.237	2.384	30	30		BEECRN
N#Cc1ccc(C(=O)c2cccnc2)cc1	ZINC000045028783	187606446	/nfs/dbraw/zinc/60/64/46/187606446.db2.gz	ZCLNLJWZENGLBM-UHFFFAOYSA-N	0	0	208.220	2.184	30	30		BEECRN
N#Cc1cccc(C(=O)c2cccnc2)c1	ZINC000034423121	181136501	/nfs/dbraw/zinc/13/65/01/181136501.db2.gz	YFYSYRPNZTWXAO-UHFFFAOYSA-N	0	0	208.220	2.184	30	30		BEECRN
CCOC(=O)c1cccc(Cl)c1C#N	ZINC000113143374	387852208	/nfs/dbraw/zinc/85/22/08/387852208.db2.gz	GUYFSTZUJMHPPG-UHFFFAOYSA-N	0	0	209.632	2.388	30	30		BEECRN
CCO/C(=C/C(=O)C(F)(F)F)N(CC)CC	ZINC000079387618	170179425	/nfs/dbraw/zinc/17/94/25/170179425.db2.gz	ZXIRRDYHLAQPTP-VQHVLOKHSA-N	0	0	239.237	2.338	30	30		BEECRN
COc1cc(Cl)ccc1NC(=O)CC#N	ZINC000034797476	342684705	/nfs/dbraw/zinc/68/47/05/342684705.db2.gz	UDRCSFUSFMZOQN-UHFFFAOYSA-N	0	0	224.647	2.201	30	30		BEECRN
COC(=O)C(C)(C)c1cccc(C#N)c1	ZINC000147693454	357342805	/nfs/dbraw/zinc/34/28/05/357342805.db2.gz	UMCYJYYTVUBBRU-UHFFFAOYSA-N	0	0	203.241	2.009	30	30		BEECRN
C#Cc1cc(OC(F)(F)F)ccc1N	ZINC000067794673	188468585	/nfs/dbraw/zinc/46/85/85/188468585.db2.gz	OCUZSDJPHQPVJK-UHFFFAOYSA-N	0	0	201.147	2.149	30	30		BEECRN
CCCCNC(=CC(=O)C(F)(F)F)OCC	ZINC000079387482	384130487	/nfs/dbraw/zinc/13/04/87/384130487.db2.gz	ZCDHVEGSRDUGPR-VQHVLOKHSA-N	0	0	239.237	2.385	30	30		BEECRN
N#CCCOc1cc(F)c(F)c(F)c1	ZINC000095733906	386543431	/nfs/dbraw/zinc/54/34/31/386543431.db2.gz	PYBQANVRNMCLTQ-UHFFFAOYSA-N	0	0	201.147	2.396	30	30		BEECRN
CCO/C(=C/C(=O)C(F)(F)F)N1CCCC1	ZINC000079387604	170179080	/nfs/dbraw/zinc/17/90/80/170179080.db2.gz	MTOBIGWRAORKJY-VQHVLOKHSA-N	0	0	237.221	2.092	30	30		BEECRN
CS/C(=N\C#N)Sc1cc(C)[nH]n1	ZINC000015443990	175441141	/nfs/dbraw/zinc/44/11/41/175441141.db2.gz	JGKBCVWCVLAFEU-VQHVLOKHSA-N	0	0	212.303	2.010	30	30		BEECRN