smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N2CCN(c3nccnc3C#N)C[C@H](O)C2)nc(N)n1	ZINC000097805725	375959776	/nfs/dbraw/zinc/95/97/76/375959776.db2.gz	WKYDNSMSPFEEDT-LLVKDONJSA-N	0	3	326.364	-0.284	50	30		EBEAHN
C=CCN(CC=C)C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000004344400	210175922	/nfs/dbraw/zinc/17/59/22/210175922.db2.gz	YFKGNQQSCJXSDJ-GFCCVEGCSA-N	0	3	333.392	-0.531	50	30		EBEAHN
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](O)[C@H](O)[C@H]1N	ZINC000257347108	382005841	/nfs/dbraw/zinc/00/58/41/382005841.db2.gz	UFYHHLLVNLILLV-RKQHYHRCSA-N	0	3	347.389	-0.879	50	30		EBEAHN
COCCN1CCC[C@H]1CNC(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000329423398	545739855	/nfs/dbraw/zinc/73/98/55/545739855.db2.gz	GBYIGWYWVBTASB-ZDUSSCGKSA-N	0	3	348.469	-0.412	50	30		EBEAHN
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](O)[C@@H](O)[C@@H]1N	ZINC000257347106	382006204	/nfs/dbraw/zinc/00/62/04/382006204.db2.gz	UFYHHLLVNLILLV-IKOXMDCHSA-N	0	3	347.389	-0.879	50	30		EBEAHN
C#CCN1CCCN(C(=O)CN(C)c2ncnc3[nH]cnc32)CC1	ZINC000585117887	1128139023	/nfs/dbraw/zinc/13/90/23/1128139023.db2.gz	WXNUYMOHMCQPSB-UHFFFAOYSA-N	0	3	327.392	-0.043	50	30		EBEAHN
C=CCN1C[C@@H](C(=O)N2CCC(=O)N(CCN(C)C)CC2)CC1=O	ZINC000820474762	803786459	/nfs/dbraw/zinc/78/64/59/803786459.db2.gz	CDPGRNUYFCDZRX-AWEZNQCLSA-N	0	3	336.436	-0.357	50	30		EBEAHN
Cn1c(=O)c(C#N)c(N2CCC(CN3CCOCC3)CC2)n(C)c1=O	ZINC000052326017	379177164	/nfs/dbraw/zinc/17/71/64/379177164.db2.gz	MULWCHGIQUIYGZ-UHFFFAOYSA-N	0	3	347.419	-0.496	50	30		EBEAHN
C=CCN1C[C@H](C(=O)N2CCC(=O)N(CCN(C)C)CC2)CC1=O	ZINC000820474769	803786469	/nfs/dbraw/zinc/78/64/69/803786469.db2.gz	CDPGRNUYFCDZRX-CQSZACIVSA-N	0	3	336.436	-0.357	50	30		EBEAHN
COCCN(C)C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@@H]1CO	ZINC000091876663	218082062	/nfs/dbraw/zinc/08/20/62/218082062.db2.gz	DBDAVRQLOGDJFW-HUUCEWRRSA-N	0	3	339.436	-0.048	50	30		EBEAHN
COCCN1CCC[C@@H]1CNC(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000329423396	545738530	/nfs/dbraw/zinc/73/85/30/545738530.db2.gz	GBYIGWYWVBTASB-CYBMUJFWSA-N	0	3	348.469	-0.412	50	30		EBEAHN
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](O)[C@H](O)[C@@H]1N	ZINC000071784972	381994825	/nfs/dbraw/zinc/99/48/25/381994825.db2.gz	UFYHHLLVNLILLV-MBJXGIAVSA-N	0	3	347.389	-0.879	50	30		EBEAHN
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](O)[C@@H](O)[C@H]1N	ZINC000257347107	382006178	/nfs/dbraw/zinc/00/61/78/382006178.db2.gz	UFYHHLLVNLILLV-PEBLQZBPSA-N	0	3	347.389	-0.879	50	30		EBEAHN
N#Cc1ccc(S(=O)(=O)N2CCO[C@@]3(C2)CNCCOC3)cc1	ZINC000072166116	216056413	/nfs/dbraw/zinc/05/64/13/216056413.db2.gz	ZKYYCWSWUBSCMA-OAHLLOKOSA-N	0	3	337.401	-0.062	50	30		EBEAHN
C=CCN(CC=C)C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000000164104	209459564	/nfs/dbraw/zinc/45/95/64/209459564.db2.gz	YFKGNQQSCJXSDJ-LBPRGKRZSA-N	0	3	333.392	-0.531	50	30		EBEAHN
Cc1cc(N2CCN(c3nccnc3C#N)C[C@@H](O)C2)nc(N)n1	ZINC000217928320	241282955	/nfs/dbraw/zinc/28/29/55/241282955.db2.gz	WKYDNSMSPFEEDT-NSHDSACASA-N	0	3	326.364	-0.284	50	30		EBEAHN
C#CCN1CCC(C(=O)NCCn2nc3ccccn3c2=O)CC1	ZINC000065405241	258011915	/nfs/dbraw/zinc/01/19/15/258011915.db2.gz	JXQLKSIFXIATLK-UHFFFAOYSA-N	0	3	327.388	-0.043	50	30		EBEAHN
N#Cc1ccc(S(=O)(=O)N2CCO[C@]3(C2)CNCCOC3)cc1	ZINC000072166117	216056171	/nfs/dbraw/zinc/05/61/71/216056171.db2.gz	ZKYYCWSWUBSCMA-HNNXBMFYSA-N	0	3	337.401	-0.062	50	30		EBEAHN
CCN1CCN(CCCNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000032068734	379729136	/nfs/dbraw/zinc/72/91/36/379729136.db2.gz	BEGNTURKTDYEHP-UHFFFAOYSA-N	0	3	334.424	-0.605	50	30		EBEAHN