smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1	ZINC000034677826	555796113	/nfs/dbraw/zinc/79/61/13/555796113.db2.gz	YPKVPIKEPOFWNK-NRFANRHFSA-N	0	3	445.608	1.820	50	30		IDEAHN
CC[C@@H]1CN(c2ccc(C#N)c(N3CCN(C[C@H](C)O)[C@H](CC)C3)n2)CCN1C[C@@H](C)O	ZINC000253369463	569263973	/nfs/dbraw/zinc/26/39/73/569263973.db2.gz	CVCPSBKPAACQDD-NPDDRXJXSA-N	0	3	444.624	1.516	50	30		IDEAHN
C=CCN1C2=C(C(=O)N(CC(=O)NCCN(C)C)C2)[C@@H](c2ccc(Cl)cc2)NC1=O	ZINC000035968900	518854891	/nfs/dbraw/zinc/85/48/91/518854891.db2.gz	UIFSFIOZMHIVPV-LJQANCHMSA-N	0	3	431.924	1.366	50	30		IDEAHN
C=CCn1c2c(nc1-n1nc(C)c(C)c1C)n(C)c(=O)n(CCN1CCCCC1)c2=O	ZINC000012518311	519260936	/nfs/dbraw/zinc/26/09/36/519260936.db2.gz	AFNBHZQJIPHXGA-UHFFFAOYSA-N	0	3	425.537	1.680	50	30		IDEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1C	ZINC000009270716	569517634	/nfs/dbraw/zinc/51/76/34/569517634.db2.gz	VPYLKSCMBYSIEP-SFHVURJKSA-N	0	3	426.473	1.953	50	30		IDEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC(N)=O)cc2)o1	ZINC000016735256	556633106	/nfs/dbraw/zinc/63/31/06/556633106.db2.gz	BSQPDERGGIOAFT-HXUWFJFHSA-N	0	3	441.484	1.982	50	30		IDEAHN
CCc1nc(N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)c(C#N)c2c1COC(C)(C)C2	ZINC000009435734	132317697	/nfs/dbraw/zinc/31/76/97/132317697.db2.gz	WNLWTYMWDVUHRF-KRWDZBQOSA-N	0	3	441.576	1.784	50	30		IDEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC(N)=O)cc2)o1	ZINC000016735254	556633038	/nfs/dbraw/zinc/63/30/38/556633038.db2.gz	BSQPDERGGIOAFT-FQEVSTJZSA-N	0	3	441.484	1.982	50	30		IDEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1C	ZINC000102882291	557408336	/nfs/dbraw/zinc/40/83/36/557408336.db2.gz	SJPHGTDQNBPASD-CQGUWYRNSA-N	0	3	426.473	1.796	50	30		IDEAHN
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000084017201	568789995	/nfs/dbraw/zinc/78/99/95/568789995.db2.gz	OKPUFWLTNYUSKG-NRFANRHFSA-N	0	3	432.528	1.686	50	30		IDEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1C	ZINC000009240490	569514637	/nfs/dbraw/zinc/51/46/37/569514637.db2.gz	MGUDWPKMQMSYFG-GOSISDBHSA-N	0	3	426.473	1.953	50	30		IDEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1C	ZINC000009270719	569517623	/nfs/dbraw/zinc/51/76/23/569517623.db2.gz	VPYLKSCMBYSIEP-GOSISDBHSA-N	0	3	426.473	1.953	50	30		IDEAHN
C=CCN1CCN(CC2=NC(=O)N[C@H](c3ccc(OC)c(OC)c3)C2C(=O)OCC)CC1	ZINC000067285915	518865542	/nfs/dbraw/zinc/86/55/42/518865542.db2.gz	SSAJRLGLCYMLNF-OAQYLSRUSA-N	0	3	444.532	1.679	50	30		IDEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1C	ZINC000102526059	557353164	/nfs/dbraw/zinc/35/31/64/557353164.db2.gz	CQCBQFUWQODDPG-BDBAMQCISA-N	0	3	426.473	1.796	50	30		IDEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1C	ZINC000102526066	557353498	/nfs/dbraw/zinc/35/34/98/557353498.db2.gz	CQCBQFUWQODDPG-CQGUWYRNSA-N	0	3	426.473	1.796	50	30		IDEAHN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C[C@@H](O)CN2CCN(C)CC2)c1C#N	ZINC000095446776	569367272	/nfs/dbraw/zinc/36/72/72/569367272.db2.gz	TVEMVMRDJCNHSN-LJQANCHMSA-N	0	3	442.564	1.097	50	30		IDEAHN
COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CCN2CCCOCC2)CC1	ZINC000170599042	569142400	/nfs/dbraw/zinc/14/24/00/569142400.db2.gz	TZQGHKAOZSBEHG-UHFFFAOYSA-N	0	3	430.549	1.592	50	30		IDEAHN
C=CCN1CCN(CC2=NC(=O)N[C@@H](c3ccc(OC)c(OC)c3)C2C(=O)OCC)CC1	ZINC000067285918	518865740	/nfs/dbraw/zinc/86/57/40/518865740.db2.gz	SSAJRLGLCYMLNF-NRFANRHFSA-N	0	3	444.532	1.679	50	30		IDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1cccnc1	ZINC000102735185	557372529	/nfs/dbraw/zinc/37/25/29/557372529.db2.gz	JLYGBSXVHOLJSH-LFVOPCPISA-N	0	3	436.468	1.900	50	30		IDEAHN
CC(C)(O)C#Cc1ccc(CN2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1	ZINC000014948300	568827864	/nfs/dbraw/zinc/82/78/64/568827864.db2.gz	QWTSCZPEMNBKSZ-DNQXCXABSA-N	0	3	434.584	1.961	50	30		IDEAHN
C=CCCC(=O)N1CCN(CCOc2cccc(CN(C)C[C@@H]3CCC(=O)N3)c2)CC1	ZINC000012212399	518692556	/nfs/dbraw/zinc/69/25/56/518692556.db2.gz	AZYIBHFVVHDGSJ-NRFANRHFSA-N	0	3	428.577	1.886	50	30		IDEAHN
C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1	ZINC000034677827	555796122	/nfs/dbraw/zinc/79/61/22/555796122.db2.gz	YPKVPIKEPOFWNK-OAQYLSRUSA-N	0	3	445.608	1.820	50	30		IDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1cccnc1	ZINC000102735182	557372507	/nfs/dbraw/zinc/37/25/07/557372507.db2.gz	JLYGBSXVHOLJSH-WOOAAIBNSA-N	0	3	436.468	1.900	50	30		IDEAHN
C=CCN(CC=C)[C@@H](CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O)C(C)C	ZINC000252481768	569186451	/nfs/dbraw/zinc/18/64/51/569186451.db2.gz	CRNDDUONMCFSIH-SFHVURJKSA-N	0	3	444.623	1.695	50	30		IDEAHN
CC[C@@H]1CN(c2ccc(C#N)c(N3CCN(C[C@H](C)O)[C@@H](CC)C3)n2)CCN1C[C@@H](C)O	ZINC000253369461	569264004	/nfs/dbraw/zinc/26/40/04/569264004.db2.gz	CVCPSBKPAACQDD-KIZRIRGWSA-N	0	3	444.624	1.516	50	30		IDEAHN
C=CCCC(=O)N1CCN(CCOc2cccc(CN(C)C[C@H]3CCC(=O)N3)c2)CC1	ZINC000012212401	518693140	/nfs/dbraw/zinc/69/31/40/518693140.db2.gz	AZYIBHFVVHDGSJ-OAQYLSRUSA-N	0	3	428.577	1.886	50	30		IDEAHN
COc1ccc(-c2nc(C#N)c(NCCN(C)C)o2)cc1S(=O)(=O)N1CCOCC1	ZINC000013691509	556711084	/nfs/dbraw/zinc/71/10/84/556711084.db2.gz	JUQLZXRKRGVRCN-UHFFFAOYSA-N	0	3	435.506	1.216	50	30		IDEAHN
CCc1nc(N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)c(C#N)c2c1COC(C)(C)C2	ZINC000009435735	132317664	/nfs/dbraw/zinc/31/76/64/132317664.db2.gz	WNLWTYMWDVUHRF-QGZVFWFLSA-N	0	3	441.576	1.784	50	30		IDEAHN
CC1(C)Cc2c(C#N)c(SCC(=O)N3CCOCC3)nc(N3CCNCC3)c2CO1	ZINC000009546977	534944597	/nfs/dbraw/zinc/94/45/97/534944597.db2.gz	FNBSJSLTHNWCJI-UHFFFAOYSA-N	0	3	431.562	1.165	50	30		IDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccncc1	ZINC000102750775	557382830	/nfs/dbraw/zinc/38/28/30/557382830.db2.gz	GSRXTMRXRUJFMD-LFVOPCPISA-N	0	3	436.468	1.900	50	30		IDEAHN
CC[C@@H]1CN(c2ccc(C#N)c(N3CCN(C[C@H](C)O)[C@H](CC)C3)n2)CCN1C[C@H](C)O	ZINC000225350207	569291928	/nfs/dbraw/zinc/29/19/28/569291928.db2.gz	CVCPSBKPAACQDD-SEIRJHJZSA-N	0	3	444.624	1.516	50	30		IDEAHN
C=CCN1C2=C(C(=O)N(CC(=O)NCCN(C)C)C2)[C@H](c2ccc(Cl)cc2)NC1=O	ZINC000035968897	518854507	/nfs/dbraw/zinc/85/45/07/518854507.db2.gz	UIFSFIOZMHIVPV-IBGZPJMESA-N	0	3	431.924	1.366	50	30		IDEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1C	ZINC000102882290	557408344	/nfs/dbraw/zinc/40/83/44/557408344.db2.gz	SJPHGTDQNBPASD-BDBAMQCISA-N	0	3	426.473	1.796	50	30		IDEAHN
C=CCN(CC=C)[C@H](CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O)C(C)C	ZINC000252481767	569186404	/nfs/dbraw/zinc/18/64/04/569186404.db2.gz	CRNDDUONMCFSIH-GOSISDBHSA-N	0	3	444.623	1.695	50	30		IDEAHN
CN(CCN(CCN1CCCCC1)C(=O)c1cc(C#N)cn1C)C(=O)c1cc(C#N)cn1C	ZINC000328591927	569317073	/nfs/dbraw/zinc/31/70/73/569317073.db2.gz	CQOAMAQCBXWAIL-UHFFFAOYSA-N	0	3	449.559	1.807	50	30		IDEAHN
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1	ZINC000084017203	568789867	/nfs/dbraw/zinc/78/98/67/568789867.db2.gz	OKPUFWLTNYUSKG-OAQYLSRUSA-N	0	3	432.528	1.686	50	30		IDEAHN
C=CCOc1c(Br)cc(CNCCNC(=O)c2nonc2N)cc1OC	ZINC000009194444	568817860	/nfs/dbraw/zinc/81/78/60/568817860.db2.gz	ALKVUZKIUDXNMG-UHFFFAOYSA-N	0	3	426.271	1.507	50	30		IDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccccn1	ZINC000102751005	557382895	/nfs/dbraw/zinc/38/28/95/557382895.db2.gz	FLGWVXJLRRXPGB-WOOAAIBNSA-N	0	3	436.468	1.900	50	30		IDEAHN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C[C@H](O)CN2CCN(C)CC2)c1C#N	ZINC000095446775	569367238	/nfs/dbraw/zinc/36/72/38/569367238.db2.gz	TVEMVMRDJCNHSN-IBGZPJMESA-N	0	3	442.564	1.097	50	30		IDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccccn1	ZINC000102751007	557382841	/nfs/dbraw/zinc/38/28/41/557382841.db2.gz	FLGWVXJLRRXPGB-LFVOPCPISA-N	0	3	436.468	1.900	50	30		IDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccncc1	ZINC000102750770	557382845	/nfs/dbraw/zinc/38/28/45/557382845.db2.gz	GSRXTMRXRUJFMD-WOOAAIBNSA-N	0	3	436.468	1.900	50	30		IDEAHN
CC[C@@H]1CN(c2ccc(C#N)c(N3CCN(C[C@H](C)O)[C@@H](CC)C3)n2)CCN1C[C@H](C)O	ZINC000253369462	569263959	/nfs/dbraw/zinc/26/39/59/569263959.db2.gz	CVCPSBKPAACQDD-MPJJRAAHSA-N	0	3	444.624	1.516	50	30		IDEAHN
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cnc21	ZINC000040135050	569490633	/nfs/dbraw/zinc/49/06/33/569490633.db2.gz	FEUVZTMQTKTMDL-UHFFFAOYSA-N	0	3	434.500	1.570	50	30		IDEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1C	ZINC000009240487	569514640	/nfs/dbraw/zinc/51/46/40/569514640.db2.gz	MGUDWPKMQMSYFG-SFHVURJKSA-N	0	3	426.473	1.953	50	30		IDEAHN