smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1COCC[C@H]1O	ZINC000218000862	189712758	/nfs/dbraw/zinc/71/27/58/189712758.db2.gz	VWWDISKHSRDIJM-RKDXNWHRSA-N	0	0	283.284	-1.807	50	70		CAIARN
CN(C[C@@H]1COCCO1)C(=O)Cc1c[nH]c(=O)n(C)c1=O	ZINC000217140428	373216848	/nfs/dbraw/zinc/21/68/48/373216848.db2.gz	JOGVWWHLUGEZNK-SNVBAGLBSA-N	0	0	297.311	-1.510	50	70		CAIARN
Cc1nnc([C@H](C)NC(=O)Cc2c[nH]c(=O)n(C)c2=O)[nH]1	ZINC000217670150	373219211	/nfs/dbraw/zinc/21/92/11/373219211.db2.gz	OUUBFVFISQYPIK-LURJTMIESA-N	0	0	292.299	-1.080	50	70		CAIARN
CS(=O)(=O)NC1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1	ZINC000218050599	262345089	/nfs/dbraw/zinc/34/50/89/262345089.db2.gz	OFHIQJWFGGYDEH-UHFFFAOYSA-N	0	0	288.329	-1.143	50	70		CAIARN
CN(C[C@H]1COCCO1)C(=O)Cc1c[nH]c(=O)n(C)c1=O	ZINC000217140438	373217258	/nfs/dbraw/zinc/21/72/58/373217258.db2.gz	JOGVWWHLUGEZNK-JTQLQIEISA-N	0	0	297.311	-1.510	50	70		CAIARN
NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)CN1CCCC1=O	ZINC000218251970	373218147	/nfs/dbraw/zinc/21/81/47/373218147.db2.gz	VFNGXUQFANDAML-ZJUUUORDSA-N	0	0	299.327	-1.616	50	70		CAIARN
Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)ccc1=O	ZINC000218575974	373218397	/nfs/dbraw/zinc/21/83/97/373218397.db2.gz	XVVCDHUNVYBTSC-MWLCHTKSSA-N	0	0	297.311	-1.324	50	70		CAIARN
O=C(CCn1ccc(=O)[nH]c1=O)NCCN1CCNC1=O	ZINC000217548941	373219017	/nfs/dbraw/zinc/21/90/17/373219017.db2.gz	ZYKWZAUQOSQYQW-UHFFFAOYSA-N	0	0	295.299	-1.932	50	70		CAIARN
Cc1nnc([C@@H](C)NC(=O)Cc2c[nH]c(=O)n(C)c2=O)[nH]1	ZINC000217670064	373219873	/nfs/dbraw/zinc/21/98/73/373219873.db2.gz	OUUBFVFISQYPIK-ZCFIWIBFSA-N	0	0	292.299	-1.080	50	70		CAIARN
CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1c[nH]c(=O)[nH]1	ZINC000218658500	373219913	/nfs/dbraw/zinc/21/99/13/373219913.db2.gz	IRYULLAQAYZKIL-XCWAXFADSA-N	0	0	280.284	-1.275	50	70		CAIARN
O=C(CN1CC(=O)NC1=O)N1CCc2n[nH]cc2C1	ZINC000217040920	373217535	/nfs/dbraw/zinc/21/75/35/373217535.db2.gz	YGBZOKYHIVJPEK-UHFFFAOYSA-N	0	0	263.257	-1.154	50	70		CAIARN
CS(=O)(=O)CCN1CCn2nc([C@@H](O)CO)cc2C1	ZINC000217683164	373219423	/nfs/dbraw/zinc/21/94/23/373219423.db2.gz	OYEJTXMGAIUGIL-NSHDSACASA-N	0	0	289.357	-1.231	50	70		CAIARN
Cn1c(=O)[nH]cc(CC(=O)NCC2(C)COC2)c1=O	ZINC000217755187	327925625	/nfs/dbraw/zinc/92/56/25/327925625.db2.gz	NQLSKOMOKSQOKN-UHFFFAOYSA-N	0	0	267.285	-1.231	50	70		CAIARN
Cn1c(=O)[nH]cc(CC(=O)N2CCc3n[nH]cc3C2)c1=O	ZINC000216931799	373217354	/nfs/dbraw/zinc/21/73/54/373217354.db2.gz	BXKORWWBKAAEHH-UHFFFAOYSA-N	0	0	289.295	-1.076	50	70		CAIARN
CS(=O)(=O)CCN1CCn2nc([C@H](O)CO)cc2C1	ZINC000217683258	373219821	/nfs/dbraw/zinc/21/98/21/373219821.db2.gz	OYEJTXMGAIUGIL-LLVKDONJSA-N	0	0	289.357	-1.231	50	70		CAIARN
NC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1OCCO	ZINC000218648837	373219991	/nfs/dbraw/zinc/21/99/91/373219991.db2.gz	BSUAFHHZXSCZJH-HTQZYQBOSA-N	0	0	261.278	-2.063	50	70		CAIARN