smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N(C)CC#CC[N@H+]1CCC[C@H](CO)C1	ZINC000013831363	187251082	/nfs/dbraw/zinc/25/10/82/187251082.db2.gz	WQVIACWXWNYNIC-ZDUSSCGKSA-N	1	1	238.331	0.172	3	30		BCEFMO
CC(=O)N(C)CC#CC[N@@H+]1CCC[C@H]1CF	ZINC000013820894	188051496	/nfs/dbraw/zinc/05/14/96/188051496.db2.gz	ZTQOQOORKLHVHC-LBPRGKRZSA-N	1	1	226.295	0.902	1	30		BCEFMO
CC(=O)N(C)CC#CC[N@H+]1CCC[C@H]1CF	ZINC000013820894	188051498	/nfs/dbraw/zinc/05/14/98/188051498.db2.gz	ZTQOQOORKLHVHC-LBPRGKRZSA-N	1	1	226.295	0.902	1	30		BCEFMO
CN(C)C=[NH+]c1nonc1-c1nc[nH]n1	ZINC000018246809	172352137	/nfs/dbraw/zinc/35/21/37/172352137.db2.gz	RHPKWZOVIHXBMC-RUDMXATFSA-N	1	1	207.197	0.076	1	30		BCEFMO
C=CCn1nnc(C2=CCC[N@H+](C)C2)n1	ZINC000013739822	187364007	/nfs/dbraw/zinc/36/40/07/187364007.db2.gz	VBQFOIUZXHYBMC-UHFFFAOYSA-N	1	1	205.265	0.578	1	30		BCEFMO
C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]2OS(C)(=O)=O	ZINC000013834346	173205478	/nfs/dbraw/zinc/20/54/78/173205478.db2.gz	PVRLZVMVEMVTTG-YIZRAAEISA-N	1	1	219.306	0.588	1	30		BCEFMO
Cc1[nH+]ccn1CC#CCN1CCCC1=O	ZINC000013823260	180230373	/nfs/dbraw/zinc/23/03/73/180230373.db2.gz	KWBBYHOSQKDRRU-UHFFFAOYSA-N	1	1	217.272	0.817	1	30		BCEFMO
C=C(C)[C@H]1C[NH2+][C@@H](C(=O)OC)[C@H]1CC(=O)OC	ZINC000086865011	411261463	/nfs/dbraw/zinc/26/14/63/411261463.db2.gz	NVQFKOVUTLRCIR-IQJOONFLSA-N	1	1	241.287	0.503	2	30		BCEFMO
C[N@H+]1[C@H]2C[C@@H](OS(C)(=O)=O)[C@@H]1CCC2	ZINC000169327866	173204680	/nfs/dbraw/zinc/20/46/80/173204680.db2.gz	PVRLZVMVEMVTTG-HRDYMLBCSA-N	1	1	219.306	0.588	1	30		BCEFMO
NC(=[NH2+])NC(=O)c1cc2c(cccc2N)s1	ZINC000028524778	181322657	/nfs/dbraw/zinc/32/26/57/181322657.db2.gz	DXBPZNUTBKHZGZ-UHFFFAOYSA-N	1	1	234.284	0.897	1	30		BCEFMO
CC(=O)N(C)CC#CC[N@H+]1CCCC[C@H]1CO	ZINC000026014384	187372509	/nfs/dbraw/zinc/37/25/09/187372509.db2.gz	FUIOHFOBCDDPBE-ZDUSSCGKSA-N	1	1	238.331	0.315	1	30		BCEFMO
Oc1ccc2[nH]cc(C=NNC3=[NH+]CCN3)c2c1	ZINC000013741850	183278569	/nfs/dbraw/zinc/27/85/69/183278569.db2.gz	WOXVAQXDFUNUNY-FRKPEAEDSA-N	1	1	243.270	0.756	1	30		BCEFMO
CCC[N@@H+]1CCC(=O)N(CCC#N)CC1	ZINC000036383176	169187493	/nfs/dbraw/zinc/18/74/93/169187493.db2.gz	GMFYZGJTOUHMQT-UHFFFAOYSA-N	1	1	209.293	0.844	1	30		BCEFMO
CC[N+](C)(CC)CC[n+]1ccn(C)c1C=N[O-]	ZINC000028771084	717115881	/nfs/dbraw/zinc/11/58/81/717115881.db2.gz	IKYDUNHBQGIJSC-UHFFFAOYSA-O	1	1	240.351	0.607	1	30		BCEFMO
CC(=O)C1=COC[C@H]2[C@@H]3C[C@@H](O)[C@H](C[C@@H]12)[N@@H+]3C	ZINC000085642149	188098088	/nfs/dbraw/zinc/09/80/88/188098088.db2.gz	NIEQPQSSTARGLM-XZDSOIIUSA-N	1	1	237.299	0.559	1	30		BCEFMO