smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC(CCCC)(CCCC)OC(=O)[C@H](O)CC(=O)[O-]	ZINC000100287319	519968219	/nfs/dbraw/zinc/96/82/19/519968219.db2.gz	HCLVXVIAGDXHTL-QGZVFWFLSA-N	-1	0	358.519	4.845	10	30		FJEERM
CCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)[O-]	ZINC000028538061	204884704	/nfs/dbraw/zinc/88/47/04/204884704.db2.gz	CLHUCXCVFSEJRR-LJQANCHMSA-N	-1	0	371.562	4.810	10	30		FJEERM
[O-]c1c(Br)cc(Br)cc1/C=N\Cc1ccccc1	ZINC000013125940	206301228	/nfs/dbraw/zinc/30/12/28/206301228.db2.gz	MBAKLDOTTWOQOV-MFOYZWKCSA-N	-1	0	369.056	4.536	10	30		FJEERM
CCCCCCCc1c(C)nc(S[C@H](CCCC)C(=O)[O-])[nH]c1=O	ZINC000098048995	206545908	/nfs/dbraw/zinc/54/59/08/206545908.db2.gz	CKARLQCYAXWDHY-OAHLLOKOSA-N	-1	0	354.516	4.739	10	30		FJEERM
CCC[C@@]12Cc3cc(OCC(=O)[O-])c(Cl)c(Cl)c3C1=CC(=O)CC2	ZINC000003913911	210500602	/nfs/dbraw/zinc/50/06/02/210500602.db2.gz	ALFVAHDVPGFPIK-GOSISDBHSA-N	-1	0	369.244	4.546	10	30		FJEERM
FC(F)(F)c1ccccc1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000002347968	204035714	/nfs/dbraw/zinc/03/57/14/204035714.db2.gz	COPXCQXDBIJBRS-JMIUGGIZSA-N	-1	0	354.401	4.889	10	30		FJEERM
CCCCCCCCCCCCCCCC(=O)C1=C([O-])[C@H](CO)OC1=O	ZINC000017654590	519989009	/nfs/dbraw/zinc/98/90/09/519989009.db2.gz	KZTSLHQKWLYYAC-SFHVURJKSA-N	-1	0	368.514	4.767	10	30		FJEERM
CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)/C=C\C(=O)[O-])c2C#N)cc1	ZINC000006440187	210672624	/nfs/dbraw/zinc/67/26/24/210672624.db2.gz	RWEGWIMSGRLMHG-ZWLSGLHFSA-N	-1	0	368.458	4.688	10	30		FJEERM
CCCCCCCOc1ccc(OC(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000101005816	520064029	/nfs/dbraw/zinc/06/40/29/520064029.db2.gz	CNLLEVUWLYUFPH-UHFFFAOYSA-N	-1	0	356.418	4.953	10	30		FJEERM
COc1ccc2ccccc2c1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000004924496	204176399	/nfs/dbraw/zinc/17/63/99/204176399.db2.gz	JBDKYAIKVYKLLM-SRZZPIQSSA-N	-1	0	354.793	4.646	10	30		FJEERM
CCC(N=Nc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1[O-]	ZINC000059895585	221128007	/nfs/dbraw/zinc/12/80/07/221128007.db2.gz	CTVNSXDIUPQGIG-PDGQHHTCSA-N	-1	0	354.193	4.833	10	30		FJEERM
CCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1	ZINC000100150132	520063349	/nfs/dbraw/zinc/06/33/49/520063349.db2.gz	OXPZAJCHZHFVJF-UHFFFAOYSA-N	-1	0	356.418	4.953	10	30		FJEERM
CC(C)c1cc([S@](=O)[O-])ccc1OC(F)(F)C(F)(F)C(F)(F)F	ZINC000675062458	571271806	/nfs/dbraw/zinc/27/18/06/571271806.db2.gz	FWHAHDUJVSPWQT-UHFFFAOYSA-N	-1	0	368.270	4.560	10	30		FJEERM
CCCCCCCCCCCCCC[N+](C)(C)CCOP(=O)([O-])[O-]	ZINC000059044243	717131068	/nfs/dbraw/zinc/13/10/68/717131068.db2.gz	WWYNZTMMQQKKCZ-UHFFFAOYSA-O	-1	0	366.503	4.873	10	30		FJEERM
C=C(C)c1cccc(C(C)(C)NC(=O)Nc2sc(C)cc2C(=O)[O-])c1	ZINC000020333008	210155292	/nfs/dbraw/zinc/15/52/92/210155292.db2.gz	CWNPWOQVKYCLJP-UHFFFAOYSA-N	-1	0	358.463	4.845	10	30		FJEERM
COc1ccc(/C=C/C(=O)c2ccc(OCc3ccccc3)cc2[O-])cc1	ZINC000005210591	204197593	/nfs/dbraw/zinc/19/75/93/204197593.db2.gz	XDWGBYCMKJVFDS-NTEUORMPSA-N	-1	0	360.409	4.876	10	30		FJEERM
Cc1ccc2nc3[n-]c(NN=Cc4ccc(Cl)c(Cl)c4)nnc-3c2c1	ZINC000064981180	221161265	/nfs/dbraw/zinc/16/12/65/221161265.db2.gz	QYKXVMGBIPQSKR-DNTJNYDQSA-N	-1	0	371.231	4.567	10	30		FJEERM
N#Cc1cc([O-])c(Br)c2ccc(-c3ccc(O)c(F)c3)cc12	ZINC000013645160	211045664	/nfs/dbraw/zinc/04/56/64/211045664.db2.gz	DSGIEWLMQGUMOC-UHFFFAOYSA-N	-1	0	358.166	4.691	10	30		FJEERM
CCCCCOc1ccc(CN2c3ccc(Cl)cc3/C(=N/[O-])C2=O)cc1	ZINC000101101982	222261894	/nfs/dbraw/zinc/26/18/94/222261894.db2.gz	SJNKHHLUQFJWKD-QOCHGBHMSA-N	-1	0	372.852	4.634	10	30		FJEERM
CCCCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1	ZINC000002588910	263145317	/nfs/dbraw/zinc/14/53/17/263145317.db2.gz	UGVKLIWWPNMURO-UYRXBGFRSA-N	-1	0	356.451	4.652	10	30		FJEERM
COc1ccc(/C=C\C(=O)c2ccc(OCc3ccccc3)cc2[O-])cc1	ZINC000033376471	523434085	/nfs/dbraw/zinc/43/40/85/523434085.db2.gz	XDWGBYCMKJVFDS-ZROIWOOFSA-N	-1	0	360.409	4.876	10	30		FJEERM
Cc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1	ZINC000100046174	222232782	/nfs/dbraw/zinc/23/27/82/222232782.db2.gz	MPYITYNGIHTTOM-HYARGMPZSA-N	-1	0	368.433	4.686	10	30		FJEERM
CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1	ZINC000002587428	263145440	/nfs/dbraw/zinc/14/54/40/263145440.db2.gz	VDSBAWPVVAVEPD-MOSHPQCFSA-N	-1	0	352.463	4.587	10	30		FJEERM
CCCCCOc1ccccc1CN1c2ccc(Cl)cc2/C(=N/[O-])C1=O	ZINC000101101964	520260906	/nfs/dbraw/zinc/26/09/06/520260906.db2.gz	OOGTVIBWXZSPBA-QOCHGBHMSA-N	-1	0	372.852	4.634	10	30		FJEERM
CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)/C=C\C(=O)[O-])c2C#N)cc1	ZINC000034894932	208112931	/nfs/dbraw/zinc/11/29/31/208112931.db2.gz	RWEGWIMSGRLMHG-PRDAAYKISA-N	-1	0	368.458	4.688	10	30		FJEERM
N#CC(=C([O-])c1ccc(Br)s1)c1c(F)cccc1Cl	ZINC000037344897	208178112	/nfs/dbraw/zinc/17/81/12/208178112.db2.gz	HHSLSMDTCOCROW-SSDOTTSWSA-N	-1	0	358.619	4.793	10	30		FJEERM
Cc1ccc2nc3[n-]c(NN=Cc4ccc(C(C)(C)C)cc4)nnc-3c2c1	ZINC000064981300	221161344	/nfs/dbraw/zinc/16/13/44/221161344.db2.gz	UPHHNHMESZUHMS-WSDLNYQXSA-N	-1	0	358.449	4.558	10	30		FJEERM
Cc1ccc2nc3[n-]c(NN=Cc4ccc(Cl)cc4Cl)nnc-3c2c1	ZINC000064981173	221161645	/nfs/dbraw/zinc/16/16/45/221161645.db2.gz	ITXKDGRBVFLLEF-DNTJNYDQSA-N	-1	0	371.231	4.567	10	30		FJEERM
CCCCCCCC(CCCC)(CCCC)OC(=O)[C@@H](O)CC(=O)[O-]	ZINC000100287322	519969106	/nfs/dbraw/zinc/96/91/06/519969106.db2.gz	HCLVXVIAGDXHTL-KRWDZBQOSA-N	-1	0	358.519	4.845	10	30		FJEERM
CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2cccc(C(=O)[O-])c2)cc1	ZINC000004867093	521373593	/nfs/dbraw/zinc/37/35/93/521373593.db2.gz	GHPCTUUGEYOACI-LFVJCYFKSA-N	-1	0	373.456	4.857	10	30		FJEERM
Cc1cc([O-])c(C(=O)/C=C/c2cc3ccccc3c3ccccc23)c(=O)o1	ZINC000227173610	209371018	/nfs/dbraw/zinc/37/10/18/209371018.db2.gz	WBMMUQXQFCLXQJ-ZHACJKMWSA-N	-1	0	356.377	4.856	10	30		FJEERM
O=C(C=C([O-])c1ccc(Cl)cc1)C(O)=CC(=O)c1ccc(Cl)cc1	ZINC000100499199	222245073	/nfs/dbraw/zinc/24/50/73/222245073.db2.gz	UAROJMZLVNTJFN-BUOZRGFLSA-N	-1	0	363.196	4.943	10	30		FJEERM
CCCCCCCCCCCc1nc2ccccc2n1S(=O)(=O)[O-]	ZINC000001850379	520018216	/nfs/dbraw/zinc/01/82/16/520018216.db2.gz	WDADEHKMJCPQAU-UHFFFAOYSA-N	-1	0	352.500	4.761	10	30		FJEERM
N#CC(=C([O-])c1ccc(Br)s1)c1c(F)cccc1Cl	ZINC000037344899	208177700	/nfs/dbraw/zinc/17/77/00/208177700.db2.gz	HHSLSMDTCOCROW-ZETCQYMHSA-N	-1	0	358.619	4.793	10	30		FJEERM
C=C1CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CC1=C([O-])C(OC)=CC(=O)C1=O	ZINC000043606368	518660251	/nfs/dbraw/zinc/66/02/51/518660251.db2.gz	JJWITJNSXCXULM-ZKZNVZPYSA-N	-1	0	358.478	4.670	10	30		FJEERM
N#Cc1c(C=CNc2ccc(C(=O)[O-])cc2)onc1-c1ccccc1Cl	ZINC000100445173	209213077	/nfs/dbraw/zinc/21/30/77/209213077.db2.gz	XGQJEIMAAQBFET-KTKRTIGZSA-N	-1	0	365.776	4.648	10	30		FJEERM
CCCCCCCc1c(C)nc(S[C@@H](CCCC)C(=O)[O-])[nH]c1=O	ZINC000098048994	222222604	/nfs/dbraw/zinc/22/26/04/222222604.db2.gz	CKARLQCYAXWDHY-HNNXBMFYSA-N	-1	0	354.516	4.739	10	30		FJEERM
CCCCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)[O-]	ZINC000027638714	571319299	/nfs/dbraw/zinc/31/92/99/571319299.db2.gz	CTQQHQGBBMYJPT-XRZFIYGXSA-N	-1	0	364.526	4.916	10	30		FJEERM