smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCC(N(C)C(=O)Cc2cc(OC)c(OC)cc2C(C)=O)CC1	ZINC000218724938	206373245	/nfs/dbraw/zinc/37/32/45/206373245.db2.gz	MOFFBNGASCNJNI-UHFFFAOYSA-N	0	3	362.470	2.392	50	70		FEIAHN
CCN1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2	ZINC000218462374	206370550	/nfs/dbraw/zinc/37/05/50/206370550.db2.gz	YCLNEUWGMGCQER-CQSZACIVSA-N	0	3	354.454	2.398	50	70		FEIAHN
COc1cccc(-c2cccc(C(=O)N3C[C@H](N(C)C)C[C@H]3CO)c2)c1	ZINC000218187168	206368555	/nfs/dbraw/zinc/36/85/55/206368555.db2.gz	FMUCMKANUOQJSF-MOPGFXCFSA-N	0	3	354.450	2.499	50	70		FEIAHN
CN1CCCN(CC(=O)NCc2nc(-c3ccc(F)cc3)cs2)CC1	ZINC000218277170	523808342	/nfs/dbraw/zinc/80/83/42/523808342.db2.gz	KVKPFOOSGOHKHC-UHFFFAOYSA-N	0	3	362.474	2.203	50	70		FEIAHN
CCN(C)c1ccnc(N2CCC[C@@H](c3nccn3CCN(C)C)C2)n1	ZINC000217561069	520290322	/nfs/dbraw/zinc/29/03/22/520290322.db2.gz	ZVJNGFKUDPNWEZ-MRXNPFEDSA-N	0	3	357.506	2.075	50	70		FEIAHN
CN(C)c1ccc(CCC(=O)N2CCCO[C@@H](CN3CCCC3)C2)cc1	ZINC000217131816	206363247	/nfs/dbraw/zinc/36/32/47/206363247.db2.gz	GDWBDPYPYVGUKE-FQEVSTJZSA-N	0	3	359.514	2.399	50	70		FEIAHN
CN1CCN(C)[C@@H](CC(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)C1	ZINC000217387767	523884446	/nfs/dbraw/zinc/88/44/46/523884446.db2.gz	RFYOCGSBDKRRAN-FQEVSTJZSA-N	0	3	370.472	2.385	50	70		FEIAHN
COc1ccc(C2(C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2)cc1	ZINC000218570329	523866992	/nfs/dbraw/zinc/86/69/92/523866992.db2.gz	ZUMGSMLQTPJUPB-IBGZPJMESA-N	0	3	358.482	2.486	50	70		FEIAHN
Cc1cccc(N2CCN(CCC(=O)NCCc3ccncc3)CC2)c1	ZINC000217875373	524554075	/nfs/dbraw/zinc/55/40/75/524554075.db2.gz	RHTDRHBHMKJGDL-UHFFFAOYSA-N	0	3	352.482	2.261	50	70		FEIAHN
CC[C@]1(C(N)=O)CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1	ZINC000217792427	548683241	/nfs/dbraw/zinc/68/32/41/548683241.db2.gz	CFRJNTANSGNYIE-FQEVSTJZSA-N	0	3	357.498	2.154	50	70		FEIAHN
O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCCNCC1	ZINC000160843450	546077709	/nfs/dbraw/zinc/07/77/09/546077709.db2.gz	JSEATNHUMHNWRY-UHFFFAOYSA-N	0	3	350.772	2.378	50	70		FEIAHN
O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(SCCO)cc1	ZINC000218507633	527529135	/nfs/dbraw/zinc/52/91/35/527529135.db2.gz	FNYVFWAYSWKTOQ-KRWDZBQOSA-N	0	3	364.511	2.144	50	70		FEIAHN
COC1CCN(C2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)CC1	ZINC000217790604	548684247	/nfs/dbraw/zinc/68/42/47/548684247.db2.gz	NYOMNDDJPLXDNX-UHFFFAOYSA-N	0	3	370.490	2.398	50	70		FEIAHN
CN(C)c1ccc(CCC(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1	ZINC000218232989	522161062	/nfs/dbraw/zinc/16/10/62/522161062.db2.gz	KWEGVYYHMODELI-HXUWFJFHSA-N	0	3	359.514	2.445	50	70		FEIAHN
Cc1ccccc1OC[C@@H](O)C(=O)N(C)Cc1ccccc1CN(C)C	ZINC000218563188	525305218	/nfs/dbraw/zinc/30/52/18/525305218.db2.gz	PDOIEIXTOLMZSF-LJQANCHMSA-N	0	3	356.466	2.455	50	70		FEIAHN
Cc1cc(C)nc(NCC(=O)NC2CCN(Cc3ccccc3)CC2)n1	ZINC000218311673	524588741	/nfs/dbraw/zinc/58/87/41/524588741.db2.gz	LXFBBXAAFDKKLC-UHFFFAOYSA-N	0	3	353.470	2.286	50	70		FEIAHN
O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc(Cl)o1	ZINC000217980141	548683905	/nfs/dbraw/zinc/68/39/05/548683905.db2.gz	BTTPNZSRNBTJMO-RPLTXICNSA-N	0	3	371.868	2.230	50	70		FEIAHN
Cc1[nH]c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCCN(C)C)cc2c1C	ZINC000218741824	548690505	/nfs/dbraw/zinc/69/05/05/548690505.db2.gz	BZIQYZROAXGREH-RTBURBONSA-N	0	3	359.470	2.250	50	70		FEIAHN
CN(C)c1ccc(CCC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1	ZINC000218232903	522160582	/nfs/dbraw/zinc/16/05/82/522160582.db2.gz	KWEGVYYHMODELI-FQEVSTJZSA-N	0	3	359.514	2.445	50	70		FEIAHN
Cc1ccccc1OC[C@H](O)C(=O)N(C)Cc1ccccc1CN(C)C	ZINC000218563263	525313254	/nfs/dbraw/zinc/31/32/54/525313254.db2.gz	PDOIEIXTOLMZSF-IBGZPJMESA-N	0	3	356.466	2.455	50	70		FEIAHN
COC1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)CC1	ZINC000217790490	548683515	/nfs/dbraw/zinc/68/35/15/548683515.db2.gz	WFPKVOYOSMGWFG-UHFFFAOYSA-N	0	3	370.490	2.398	50	70		FEIAHN
CCN1CCCN(C(=O)[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1	ZINC000218612158	206372005	/nfs/dbraw/zinc/37/20/05/206372005.db2.gz	XFNZVSUFIFJVFB-AWEZNQCLSA-N	0	3	370.419	2.481	50	70		FEIAHN
O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCNC(=O)CC1	ZINC000217417131	206363350	/nfs/dbraw/zinc/36/33/50/206363350.db2.gz	JWJQHOIBDNXCAU-UHFFFAOYSA-N	0	3	363.461	2.207	50	70		FEIAHN
CCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)cc1Cl	ZINC000218095386	206367549	/nfs/dbraw/zinc/36/75/49/206367549.db2.gz	XWBFVJBDPMRAMP-NVXWUHKLSA-N	0	3	370.877	2.204	50	70		FEIAHN
COc1ccc(C2(C(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2)cc1	ZINC000218570410	523867307	/nfs/dbraw/zinc/86/73/07/523867307.db2.gz	ZUMGSMLQTPJUPB-LJQANCHMSA-N	0	3	358.482	2.486	50	70		FEIAHN
Nc1nccc(C2CCN(C(=O)[C@@H]3CCCN(Cc4ccco4)C3)CC2)n1	ZINC000217173848	548679929	/nfs/dbraw/zinc/67/99/29/548679929.db2.gz	HUDVTSULUGDSAO-MRXNPFEDSA-N	0	3	369.469	2.270	50	70		FEIAHN
CCN1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2	ZINC000218462469	206370086	/nfs/dbraw/zinc/37/00/86/206370086.db2.gz	YCLNEUWGMGCQER-AWEZNQCLSA-N	0	3	354.454	2.398	50	70		FEIAHN
Nc1nccc(C2CCN(C(=O)[C@H]3CCCN(Cc4ccco4)C3)CC2)n1	ZINC000217173855	527566696	/nfs/dbraw/zinc/56/66/96/527566696.db2.gz	HUDVTSULUGDSAO-INIZCTEOSA-N	0	3	369.469	2.270	50	70		FEIAHN
CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F	ZINC000218694055	206373691	/nfs/dbraw/zinc/37/36/91/206373691.db2.gz	APAZDPOOWQCSCH-CVEARBPZSA-N	0	3	374.403	2.100	50	70		FEIAHN
CN1CCN(C[C@H]2CCCN(C(=O)c3ccccc3N3CCCC3)C2)CC1	ZINC000217097512	206363134	/nfs/dbraw/zinc/36/31/34/206363134.db2.gz	ORQOYZQFMYFAAZ-LJQANCHMSA-N	0	3	370.541	2.386	50	70		FEIAHN
COC1CCN(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1	ZINC000217791127	548683582	/nfs/dbraw/zinc/68/35/82/548683582.db2.gz	LJXCADZIAZYZBJ-UHFFFAOYSA-N	0	3	374.453	2.229	50	70		FEIAHN
Cc1n[nH]c(C)c1CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1	ZINC000217189306	526494583	/nfs/dbraw/zinc/49/45/83/526494583.db2.gz	ZKBSSVVNPZAGQK-UHFFFAOYSA-N	0	3	369.513	2.206	50	70		FEIAHN
O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(SCCO)cc1	ZINC000218507703	527529751	/nfs/dbraw/zinc/52/97/51/527529751.db2.gz	FNYVFWAYSWKTOQ-QGZVFWFLSA-N	0	3	364.511	2.144	50	70		FEIAHN
CN1CCN(C)[C@@H](CC(=O)N(CCCO)Cc2cccc3ccccc32)C1	ZINC000216924492	523885583	/nfs/dbraw/zinc/88/55/83/523885583.db2.gz	RMNCOQLCOFNWRR-FQEVSTJZSA-N	0	3	369.509	2.187	50	70		FEIAHN
CN(C)c1ccc(CCC(=O)N2CCCO[C@H](CN3CCCC3)C2)cc1	ZINC000217131825	548680001	/nfs/dbraw/zinc/68/00/01/548680001.db2.gz	GDWBDPYPYVGUKE-HXUWFJFHSA-N	0	3	359.514	2.399	50	70		FEIAHN
CC1CCN(C(=O)COc2ccccc2CN2CCN(C)[C@@H](C)C2)CC1	ZINC000216947846	548678623	/nfs/dbraw/zinc/67/86/23/548678623.db2.gz	XAYCMRRSNOURBX-SFHVURJKSA-N	0	3	359.514	2.460	50	70		FEIAHN
O=C(CCc1ccc(F)cc1F)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1	ZINC000218314244	548686802	/nfs/dbraw/zinc/68/68/02/548686802.db2.gz	HBOIAVYVKYZUSL-ZWQIFLOQSA-N	0	3	350.409	2.265	50	70		FEIAHN
CCN1CCCN(C(=O)[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1	ZINC000218612073	548688918	/nfs/dbraw/zinc/68/89/18/548688918.db2.gz	XFNZVSUFIFJVFB-CQSZACIVSA-N	0	3	370.419	2.481	50	70		FEIAHN
CN1CCN(C[C@@H]2CCCN(C(=O)c3ccccc3N3CCCC3)C2)CC1	ZINC000217097491	548679949	/nfs/dbraw/zinc/67/99/49/548679949.db2.gz	ORQOYZQFMYFAAZ-IBGZPJMESA-N	0	3	370.541	2.386	50	70		FEIAHN
CC[C@@]1(C(N)=O)CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1	ZINC000217792358	548683218	/nfs/dbraw/zinc/68/32/18/548683218.db2.gz	CFRJNTANSGNYIE-HXUWFJFHSA-N	0	3	357.498	2.154	50	70		FEIAHN
O=C(CN1CCCCCCC1)N[C@@H]1CCOC[C@H]1OCc1ccccn1	ZINC000218748738	548690151	/nfs/dbraw/zinc/69/01/51/548690151.db2.gz	BPAWCKLMHKIXKN-RTBURBONSA-N	0	3	361.486	2.138	50	70		FEIAHN
Nc1cc(=O)[n-]c(CCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)n1	ZINC000217995747	527458889	/nfs/dbraw/zinc/45/88/89/527458889.db2.gz	WOVYGSVYKRHRGF-UHFFFAOYSA-N	0	3	369.469	2.113	50	70		FEIAHN