smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1	ZINC000216900823	277025898	/nfs/dbraw/zinc/02/58/98/277025898.db2.gz	VYKPWWVHDAILSI-INIZCTEOSA-N	0	3	316.445	3.137	40	70		DGIBHN
Cc1ccc(CSCCCNC(=O)C2CCN(C)CC2)cc1	ZINC000216923710	432653161	/nfs/dbraw/zinc/65/31/61/432653161.db2.gz	IXJNHRLPCARXEO-UHFFFAOYSA-N	0	3	320.502	3.076	40	70		DGIBHN
CN1CCC(CC(=O)NCCCc2ccc(Cl)cc2)CC1	ZINC000216898770	432652405	/nfs/dbraw/zinc/65/24/05/432652405.db2.gz	JIXCAPDDHOGSNC-UHFFFAOYSA-N	0	3	308.853	3.121	40	70		DGIBHN
Cc1cccc(CSCCNC(=O)CC2CCN(C)CC2)c1	ZINC000216893640	432653263	/nfs/dbraw/zinc/65/32/63/432653263.db2.gz	ROWJZUVKLWQEAT-UHFFFAOYSA-N	0	3	320.502	3.076	40	70		DGIBHN
CC[C@H](CNC(=O)CC1CCN(C)CC1)Cc1ccccc1	ZINC000216903894	432653387	/nfs/dbraw/zinc/65/33/87/432653387.db2.gz	SKHWPXZDJWWMBQ-INIZCTEOSA-N	0	3	302.462	3.103	40	70		DGIBHN
Cc1ccc(SCCCNC(=O)CC2CCN(C)CC2)cc1	ZINC000216903079	432652562	/nfs/dbraw/zinc/65/25/62/432652562.db2.gz	SNQLBPQEUARTGG-UHFFFAOYSA-N	0	3	320.502	3.325	40	70		DGIBHN
CN1CCC(CC(=O)NCCCc2ccccc2Cl)CC1	ZINC000216898718	432653314	/nfs/dbraw/zinc/65/33/14/432653314.db2.gz	AMJLZZFNSONGBR-UHFFFAOYSA-N	0	3	308.853	3.121	40	70		DGIBHN
CN1CCC(NC(=O)c2ccccc2OCc2ccccc2)CC1	ZINC000217013498	432653426	/nfs/dbraw/zinc/65/34/26/432653426.db2.gz	ARVKVBFXSIFLKY-UHFFFAOYSA-N	0	3	324.424	3.090	40	70		DGIBHN
CC[C@@H](CNC(=O)CC1CCN(C)CC1)Cc1ccccc1	ZINC000216903858	432652823	/nfs/dbraw/zinc/65/28/23/432652823.db2.gz	SKHWPXZDJWWMBQ-MRXNPFEDSA-N	0	3	302.462	3.103	40	70		DGIBHN
Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2	ZINC000216924389	281083906	/nfs/dbraw/zinc/08/39/06/281083906.db2.gz	XAGHBHCOEILLCN-INIZCTEOSA-N	0	3	316.445	3.055	40	70		DGIBHN
Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2	ZINC000216924416	292358411	/nfs/dbraw/zinc/35/84/11/292358411.db2.gz	XAGHBHCOEILLCN-MRXNPFEDSA-N	0	3	316.445	3.055	40	70		DGIBHN
Cc1cccc(CSCCCNC(=O)C2CCN(C)CC2)c1	ZINC000216923676	201502791	/nfs/dbraw/zinc/50/27/91/201502791.db2.gz	SPEMWZOCRRNVII-UHFFFAOYSA-N	0	3	320.502	3.076	40	70		DGIBHN
CN1CCC(CC(=O)NCc2ccc(Cl)cc2Cl)CC1	ZINC000216893023	432653301	/nfs/dbraw/zinc/65/33/01/432653301.db2.gz	OITHVARQRDCQEO-UHFFFAOYSA-N	0	3	315.244	3.342	40	70		DGIBHN
Cc1ccc(CSCCNC(=O)CC2CCN(C)CC2)cc1	ZINC000216892850	201501295	/nfs/dbraw/zinc/50/12/95/201501295.db2.gz	IOYIYGKDZLZQEX-UHFFFAOYSA-N	0	3	320.502	3.076	40	70		DGIBHN
Cc1ccccc1CSCCCNC(=O)C1CCN(C)CC1	ZINC000216923647	432652783	/nfs/dbraw/zinc/65/27/83/432652783.db2.gz	NITDOIQGCLGIQG-UHFFFAOYSA-N	0	3	320.502	3.076	40	70		DGIBHN
CN1CCC(CC(=O)NCCCSc2ccccc2)CC1	ZINC000216902978	432652266	/nfs/dbraw/zinc/65/22/66/432652266.db2.gz	LVRLLHNAWJJKMO-UHFFFAOYSA-N	0	3	306.475	3.017	40	70		DGIBHN
CN1CCC(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1	ZINC000216900788	432652802	/nfs/dbraw/zinc/65/28/02/432652802.db2.gz	VYKPWWVHDAILSI-MRXNPFEDSA-N	0	3	316.445	3.137	40	70		DGIBHN
CN1CCC(C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1	ZINC000216922456	432652607	/nfs/dbraw/zinc/65/26/07/432652607.db2.gz	OLGRKKSZANLGJD-UHFFFAOYSA-N	0	3	322.408	3.198	40	70		DGIBHN
Cc1ccccc1CSCCNC(=O)CC1CCN(C)CC1	ZINC000216894036	432653435	/nfs/dbraw/zinc/65/34/35/432653435.db2.gz	XJHOCNFSDROMIQ-UHFFFAOYSA-N	0	3	320.502	3.076	40	70		DGIBHN
CN1CCC(NC(=O)/C(=C/c2ccco2)c2ccccc2)CC1	ZINC000216929799	432652577	/nfs/dbraw/zinc/65/25/77/432652577.db2.gz	QVWVFDQOAKBIMC-NBVRZTHBSA-N	0	3	310.397	3.031	40	70		DGIBHN