smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Cl)ccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1	ZINC000216932999	557162791	/nfs/dbraw/zinc/16/27/91/557162791.db2.gz	ILSXTDUXOHHSTF-UHFFFAOYSA-N	0	3	435.977	3.054	40	70		IGIBHN
Cc1ccc(C)c(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216934534	557163093	/nfs/dbraw/zinc/16/30/93/557163093.db2.gz	WXOVIORWJDQWNX-UHFFFAOYSA-N	0	3	445.585	3.181	40	70		IGIBHN
CC(C)c1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000216932534	557162823	/nfs/dbraw/zinc/16/28/23/557162823.db2.gz	WURSRAHZGTXTDI-UHFFFAOYSA-N	0	3	429.586	3.216	40	70		IGIBHN
Cc1cc(C)cc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216934638	557163138	/nfs/dbraw/zinc/16/31/38/557163138.db2.gz	ZHDVQPHITURSFP-UHFFFAOYSA-N	0	3	445.585	3.181	40	70		IGIBHN
Cc1ccc(Cl)cc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1	ZINC000216933040	557162752	/nfs/dbraw/zinc/16/27/52/557162752.db2.gz	WXZGHECPTYVWMD-UHFFFAOYSA-N	0	3	435.977	3.054	40	70		IGIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(Cl)cc2)cc1	ZINC000216933652	557163014	/nfs/dbraw/zinc/16/30/14/557163014.db2.gz	DVWPLZWVYYSKBH-UHFFFAOYSA-N	0	3	435.977	3.054	40	70		IGIBHN
CN1CCC(Oc2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)CC1	ZINC000217022632	557167233	/nfs/dbraw/zinc/16/72/33/557167233.db2.gz	LJINVPQJCATVEC-UHFFFAOYSA-N	0	3	437.949	3.437	40	70		IGIBHN
CN1CCC(Oc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)CC1	ZINC000217021588	557166743	/nfs/dbraw/zinc/16/67/43/557166743.db2.gz	NXSWZWDLMRRSBY-UHFFFAOYSA-N	0	3	437.949	3.437	40	70		IGIBHN
C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)cc2)CC1	ZINC000217022183	557167281	/nfs/dbraw/zinc/16/72/81/557167281.db2.gz	IDSDQUKLAXGCRD-UHFFFAOYSA-N	0	3	437.949	3.437	40	70		IGIBHN
CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1	ZINC000218646256	557212102	/nfs/dbraw/zinc/21/21/02/557212102.db2.gz	XOIRPCORMIFIJQ-UHFFFAOYSA-N	0	3	433.599	3.058	40	70		IGIBHN
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216939354	557163852	/nfs/dbraw/zinc/16/38/52/557163852.db2.gz	HBEIAKNVQBJWKY-GOSISDBHSA-N	0	3	445.585	3.261	40	70		IGIBHN
CCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1	ZINC000218646366	557212122	/nfs/dbraw/zinc/21/21/22/557212122.db2.gz	FSOIDKLDJCDFDM-UHFFFAOYSA-N	0	3	447.626	3.448	40	70		IGIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2cc(C)cc(C)c2)cc1	ZINC000216933507	557162703	/nfs/dbraw/zinc/16/27/03/557162703.db2.gz	HFFFPJTZNSDGER-UHFFFAOYSA-N	0	3	429.586	3.018	40	70		IGIBHN
Cc1ccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c(C)c1	ZINC000216934426	557163118	/nfs/dbraw/zinc/16/31/18/557163118.db2.gz	BJTQVFBAJVMLNG-UHFFFAOYSA-N	0	3	445.585	3.181	40	70		IGIBHN
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)c(C)c2)cc1C	ZINC000216836999	557157338	/nfs/dbraw/zinc/15/73/38/557157338.db2.gz	GJZLZLRQCIGAQK-UHFFFAOYSA-N	0	3	445.585	3.002	40	70		IGIBHN
Cc1ccccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000216939759	557164344	/nfs/dbraw/zinc/16/43/44/557164344.db2.gz	RFOLFDZBQSLVOH-UHFFFAOYSA-N	0	3	435.977	3.054	40	70		IGIBHN
CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216942239	557164560	/nfs/dbraw/zinc/16/45/60/557164560.db2.gz	YTGUSIDXGRCCCL-UHFFFAOYSA-N	0	3	431.558	3.198	40	70		IGIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2cc(C)ccc2C)cc1	ZINC000216933477	557162886	/nfs/dbraw/zinc/16/28/86/557162886.db2.gz	CQQQEIDYEGMOQK-UHFFFAOYSA-N	0	3	429.586	3.018	40	70		IGIBHN
CC[C@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O	ZINC000217015685	557166934	/nfs/dbraw/zinc/16/69/34/557166934.db2.gz	MXFUMBWYDDNMEO-JOCHJYFZSA-N	0	3	445.585	3.343	40	70		IGIBHN
CN1CCC(Oc2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)CC1	ZINC000217035631	557167260	/nfs/dbraw/zinc/16/72/60/557167260.db2.gz	OWBGNUFXQCYHMV-UHFFFAOYSA-N	0	3	445.585	3.345	40	70		IGIBHN
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CC2CCN(C)CC2)cc1OC	ZINC000216896569	557162406	/nfs/dbraw/zinc/16/24/06/557162406.db2.gz	KODLVAQBYUTCSN-UHFFFAOYSA-N	0	3	439.556	3.347	40	70		IGIBHN
CC[C@@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O	ZINC000217015642	557166903	/nfs/dbraw/zinc/16/69/03/557166903.db2.gz	MXFUMBWYDDNMEO-QFIPXVFZSA-N	0	3	445.585	3.343	40	70		IGIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(Br)s3)cc2)CC1	ZINC000216938305	557163915	/nfs/dbraw/zinc/16/39/15/557163915.db2.gz	VBEQINSDOLZASS-UHFFFAOYSA-N	0	3	445.404	3.462	40	70		IGIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)cc2C)cc1	ZINC000216933447	557162801	/nfs/dbraw/zinc/16/28/01/557162801.db2.gz	SLINKSFGKXYABU-UHFFFAOYSA-N	0	3	429.586	3.018	40	70		IGIBHN
CCN(c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1)S(C)(=O)=O	ZINC000216949498	557165012	/nfs/dbraw/zinc/16/50/12/557165012.db2.gz	OPMPUWREGPWOQD-UHFFFAOYSA-N	0	3	431.558	3.198	40	70		IGIBHN
Cc1cccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000216939786	557164318	/nfs/dbraw/zinc/16/43/18/557164318.db2.gz	XDZCOLPWSLRRKQ-UHFFFAOYSA-N	0	3	435.977	3.054	40	70		IGIBHN
Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000216939805	557164377	/nfs/dbraw/zinc/16/43/77/557164377.db2.gz	PWCTWESPZXHTOA-UHFFFAOYSA-N	0	3	435.977	3.054	40	70		IGIBHN
CN1CCC(NC(=O)C2=C(c3ccccc3)c3cc(Cl)ccc3N(C)S2(=O)=O)CC1	ZINC000217030881	557167242	/nfs/dbraw/zinc/16/72/42/557167242.db2.gz	HEWLRCWXSPOZLQ-UHFFFAOYSA-N	0	3	445.972	3.089	40	70		IGIBHN
Cc1cccc(C)c1N(CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000216936373	557163467	/nfs/dbraw/zinc/16/34/67/557163467.db2.gz	ZVRRECOAFPYZJK-UHFFFAOYSA-N	0	3	445.585	3.181	40	70		IGIBHN
CCc1ccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216937579	557163883	/nfs/dbraw/zinc/16/38/83/557163883.db2.gz	HGLYNQUGKHIPDR-UHFFFAOYSA-N	0	3	445.585	3.127	40	70		IGIBHN
Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)C2CCCCC2)c(C)c1	ZINC000216808907	557156209	/nfs/dbraw/zinc/15/62/09/557156209.db2.gz	RXDLKBBFYKVYRY-UHFFFAOYSA-N	0	3	435.634	3.146	40	70		IGIBHN
O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)COc2ccc(OCc3ccccc3)cc2)C1	ZINC000217432221	557168891	/nfs/dbraw/zinc/16/88/91/557168891.db2.gz	RVDSIYWSIMQRIE-ZRBLBEILSA-N	0	3	446.547	3.286	40	70		IGIBHN
Cc1c(Cl)cccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1	ZINC000216933068	557162869	/nfs/dbraw/zinc/16/28/69/557162869.db2.gz	NTLFMXPZFAWDJM-UHFFFAOYSA-N	0	3	435.977	3.054	40	70		IGIBHN
C[C@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000216942415	557164644	/nfs/dbraw/zinc/16/46/44/557164644.db2.gz	BLLJZXNYGHXEBT-MRXNPFEDSA-N	0	3	449.548	3.092	40	70		IGIBHN
C[C@@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000216942397	557164727	/nfs/dbraw/zinc/16/47/27/557164727.db2.gz	BLLJZXNYGHXEBT-INIZCTEOSA-N	0	3	449.548	3.092	40	70		IGIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1	ZINC000216941242	557164282	/nfs/dbraw/zinc/16/42/82/557164282.db2.gz	SBGRSKFYYUBNTF-UHFFFAOYSA-N	0	3	439.375	3.401	40	70		IGIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)c(C)c2)cc1	ZINC000216933538	557162891	/nfs/dbraw/zinc/16/28/91/557162891.db2.gz	RWNQOFKNYFXICM-UHFFFAOYSA-N	0	3	429.586	3.018	40	70		IGIBHN
Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)c(C)c1	ZINC000216806233	557156205	/nfs/dbraw/zinc/15/62/05/557156205.db2.gz	OVSVFAINZLYVHK-UHFFFAOYSA-N	0	3	443.613	3.013	40	70		IGIBHN
CCc1ccccc1N(CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000216934863	557163102	/nfs/dbraw/zinc/16/31/02/557163102.db2.gz	PPNCJVQHCZOPRT-UHFFFAOYSA-N	0	3	445.585	3.127	40	70		IGIBHN
Cc1ccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C	ZINC000216934762	557163189	/nfs/dbraw/zinc/16/31/89/557163189.db2.gz	ARWNHKHSCHLZJY-UHFFFAOYSA-N	0	3	445.585	3.181	40	70		IGIBHN
O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COc2ccc(OCc3ccccc3)cc2)C1	ZINC000217432302	557169295	/nfs/dbraw/zinc/16/92/95/557169295.db2.gz	RVDSIYWSIMQRIE-YTFSRNRJSA-N	0	3	446.547	3.286	40	70		IGIBHN
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216939330	557163837	/nfs/dbraw/zinc/16/38/37/557163837.db2.gz	HBEIAKNVQBJWKY-SFHVURJKSA-N	0	3	445.585	3.261	40	70		IGIBHN
Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1Cl	ZINC000216933099	557162853	/nfs/dbraw/zinc/16/28/53/557162853.db2.gz	MJHNHFKJRXLXDO-UHFFFAOYSA-N	0	3	435.977	3.054	40	70		IGIBHN
Cc1cccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1C	ZINC000216936717	557163499	/nfs/dbraw/zinc/16/34/99/557163499.db2.gz	DMIKKPWWUDGOJG-UHFFFAOYSA-N	0	3	445.585	3.181	40	70		IGIBHN