smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CC1)CC3	ZINC000040843206	213393597	/nfs/dbraw/zinc/39/35/97/213393597.db2.gz	VNMIKDIJVQPZIQ-MDNUFGMLSA-N	1	1	337.507	4.720	1	30		EJEFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C#Cc1ccccc1	ZINC000040430682	213303019	/nfs/dbraw/zinc/30/30/19/213303019.db2.gz	JQOPCKBFNHXETR-FNAHDJPLSA-N	1	1	335.878	4.958	1	30		EJEFMO
N#Cc1ccc2[nH]cc([C@H]3CC[C@H]([N@H+]4CCc5ccccc5C4)C3)c2c1	ZINC000038792395	213227254	/nfs/dbraw/zinc/22/72/54/213227254.db2.gz	DLSPIRNYQQOTGH-ICSRJNTNSA-N	1	1	341.458	4.734	1	30		EJEFMO
CCCCCCCCOC(=O)[C@H]1C[N@@H+](CC)CC=C1c1ccccc1	ZINC000034802089	202277282	/nfs/dbraw/zinc/27/72/82/202277282.db2.gz	IVUOMTRDHAJWCR-NRFANRHFSA-N	1	1	343.511	4.925	1	30		EJEFMO
Cc1ccc(-c2cc(/[NH+]=C/N(C)C)n(-c3cccc(Cl)c3)n2)cc1	ZINC000103215935	219271589	/nfs/dbraw/zinc/27/15/89/219271589.db2.gz	AUCLVMRSITYUSX-FYJGNVAPSA-N	1	1	338.842	4.723	1	30		EJEFMO
N#CC[N@@H+]1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1	ZINC000103301411	219287361	/nfs/dbraw/zinc/28/73/61/219287361.db2.gz	QRPMXPBREKNPET-ZRZAMGCNSA-N	1	1	332.491	4.999	1	30		EJEFMO
N#CC[N@H+]1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1	ZINC000103301411	219287362	/nfs/dbraw/zinc/28/73/62/219287362.db2.gz	QRPMXPBREKNPET-ZRZAMGCNSA-N	1	1	332.491	4.999	1	30		EJEFMO
C(#Cc1cnc2ccccc2c1)CC[N@@H+]1CC=C(c2ccccc2)CC1	ZINC000013757286	201366386	/nfs/dbraw/zinc/36/63/86/201366386.db2.gz	VNMWEXMNOPGWQX-UHFFFAOYSA-N	1	1	338.454	4.766	1	30		EJEFMO
C=C1C[C@H](C)[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CC[N@H+]3CC2CCC2)C1	ZINC000014952543	211776712	/nfs/dbraw/zinc/77/67/12/211776712.db2.gz	AZJPPZHRNFQRRE-YWQVJIEVSA-N	1	1	337.507	4.663	1	30		EJEFMO
CO/N=C1\C[C@@H](c2ccc(F)cc2)[N@H+](C)[C@@H](c2ccc(F)cc2)[C@@H]1C	ZINC000073167632	216359370	/nfs/dbraw/zinc/35/93/70/216359370.db2.gz	IZESEOWBWXQCNB-LBYCEHKMSA-N	1	1	344.405	4.721	1	30		EJEFMO
CO/N=C1\C[C@@H](c2ccc(F)cc2)[N@@H+](C)[C@@H](c2ccc(F)cc2)[C@@H]1C	ZINC000073167632	216359382	/nfs/dbraw/zinc/35/93/82/216359382.db2.gz	IZESEOWBWXQCNB-LBYCEHKMSA-N	1	1	344.405	4.721	1	30		EJEFMO
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H]([N@H+]4CCc5ccccc5C4)C3)c2c1	ZINC000038792394	213227117	/nfs/dbraw/zinc/22/71/17/213227117.db2.gz	DLSPIRNYQQOTGH-AZUAARDMSA-N	1	1	341.458	4.734	1	30		EJEFMO
C=C1C[C@H](C)[C@@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CC[N@H+]3CC2CC2)C1	ZINC000040723349	213376655	/nfs/dbraw/zinc/37/66/55/213376655.db2.gz	IUBIDMAHZPMISI-RAKGIWIYSA-N	1	1	337.507	4.576	1	30		EJEFMO
Cc1ccc(/C=C2/C(=O)/C(=C/c3ccc(C)cc3)[C@@H]3CC[C@H]2[N@H+]3C)cc1	ZINC000020115684	212103501	/nfs/dbraw/zinc/10/35/01/212103501.db2.gz	VLYUIVIDNVEYLV-CVCYWGCFSA-N	1	1	343.470	4.816	1	30		EJEFMO
Cc1ccc(/C=C2/C(=O)/C(=C/c3ccc(C)cc3)[C@@H]3CC[C@H]2[N@@H+]3C)cc1	ZINC000020115684	212103504	/nfs/dbraw/zinc/10/35/04/212103504.db2.gz	VLYUIVIDNVEYLV-CVCYWGCFSA-N	1	1	343.470	4.816	1	30		EJEFMO
C[C@@H](Nc1[nH+]cnc2[nH]c(-c3ccc(C#N)cc3)cc21)c1ccccc1	ZINC000073169817	216360245	/nfs/dbraw/zinc/36/02/45/216360245.db2.gz	WJBHZXXFAJKTRU-CQSZACIVSA-N	1	1	339.402	4.670	1	30		EJEFMO
CCCCCCCC[N@H+]1CCC[C@]2(C1)O[C@@H](OC)Cc1ccccc12	ZINC000049678863	214026300	/nfs/dbraw/zinc/02/63/00/214026300.db2.gz	HTRKTSJTSDWJCY-FGZHOGPDSA-N	1	1	345.527	4.883	1	30		EJEFMO
C#CC1([NH2+]Cc2coc(-c3cccc4ccccc43)n2)CCCCC1	ZINC000072181959	216067184	/nfs/dbraw/zinc/06/71/84/216067184.db2.gz	YVUVMSUHMWZDFO-UHFFFAOYSA-N	1	1	330.431	4.921	1	30		EJEFMO
C=C1C[C@H](CC)[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CC2)C1	ZINC000040723409	213376310	/nfs/dbraw/zinc/37/63/10/213376310.db2.gz	CHAXMGNWVCGIMO-VQROGVPDSA-N	1	1	337.507	4.663	1	30		EJEFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000103228784	219272512	/nfs/dbraw/zinc/27/25/12/219272512.db2.gz	IECFFSCULPEXHT-FJPGZJACSA-N	1	1	330.475	4.759	1	30		EJEFMO
CCN(CC)c1ccc(C=[NH+]Nc2ccnc3c(OC)cccc23)cc1	ZINC000029135162	202181524	/nfs/dbraw/zinc/18/15/24/202181524.db2.gz	SAJBCMVVNHVDKN-HZHRSRAPSA-N	1	1	348.450	4.536	1	30		EJEFMO
C[N@@H+](CCc1ccccc1)[C@@H]1CC[C@@H](c2c[nH]c3ccc(C#N)cc32)C1	ZINC000169363198	206554365	/nfs/dbraw/zinc/55/43/65/206554365.db2.gz	UWAQQMMDYFJRCC-WOJBJXKFSA-N	1	1	343.474	4.850	1	30		EJEFMO
CCCC[N@@H+](CC)CC#CCOC(c1ccccc1)c1ccccc1	ZINC000103242400	219274118	/nfs/dbraw/zinc/27/41/18/219274118.db2.gz	YRRVBNFMMJDGSK-UHFFFAOYSA-N	1	1	335.491	4.918	1	30		EJEFMO
C=C1C[C@H](CC)[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CC2)C1	ZINC000040723411	213375802	/nfs/dbraw/zinc/37/58/02/213375802.db2.gz	CHAXMGNWVCGIMO-XCYUPCBOSA-N	1	1	337.507	4.663	1	30		EJEFMO
C=C1CC[C@@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CC[N@H+]3CC2CCC2)C1	ZINC000169306301	526909194	/nfs/dbraw/zinc/90/91/94/526909194.db2.gz	BTALPKCJJIAODE-MZYLBHOOSA-N	1	1	337.507	4.720	1	30		EJEFMO
C=CCOc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](CC1CC1)CC3	ZINC000040843203	213392942	/nfs/dbraw/zinc/39/29/42/213392942.db2.gz	VNMIKDIJVQPZIQ-YMPZKCBVSA-N	1	1	337.507	4.720	1	30		EJEFMO
C=C1CC[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CC[N@H+]3CC2CCC2)C1	ZINC000143653548	526908993	/nfs/dbraw/zinc/90/89/93/526908993.db2.gz	BTALPKCJJIAODE-WWNPGLIZSA-N	1	1	337.507	4.720	1	30		EJEFMO
Cc1cccc(/C=C2/C(=O)/C(=C/c3ccccc3C)[C@H]3CC[C@@H]2[N@H+]3C)c1	ZINC000035470832	213031322	/nfs/dbraw/zinc/03/13/22/213031322.db2.gz	TVTUZJOOHPRPGA-DWDXMDAUSA-N	1	1	343.470	4.816	1	30		EJEFMO
Cc1cccc(/C=C2/C(=O)/C(=C/c3ccccc3C)[C@H]3CC[C@@H]2[N@@H+]3C)c1	ZINC000035470832	213031323	/nfs/dbraw/zinc/03/13/23/213031323.db2.gz	TVTUZJOOHPRPGA-DWDXMDAUSA-N	1	1	343.470	4.816	1	30		EJEFMO
COc1ccc(C=NNc2cc(C)[nH+]c3ccccc23)c2ccccc12	ZINC000035000973	213003957	/nfs/dbraw/zinc/00/39/57/213003957.db2.gz	MUEYRTUESVDUQJ-OEAKJJBVSA-N	1	1	341.414	4.573	1	30		EJEFMO