smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C1	ZINC000161317041	206340553	/nfs/dbraw/zinc/34/05/53/206340553.db2.gz	ACYHDDMRBSFLKL-PBHICJAKSA-N	2	0	343.471	2.953	10	70		EFIERP
c1ccc(C[NH+]2CCC(OCCC[NH2+][C@@H]3CCCOC3)CC2)cc1	ZINC000159741160	544798608	/nfs/dbraw/zinc/79/86/08/544798608.db2.gz	IHLOTQCOLALNCN-LJQANCHMSA-N	2	0	332.488	2.826	10	70		EFIERP
CCC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)[NH+](C)C	ZINC000161254487	310707393	/nfs/dbraw/zinc/70/73/93/310707393.db2.gz	YZDICFKPPAVONA-RTBURBONSA-N	2	0	347.503	2.679	10	70		EFIERP
CCC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)[NH+](C)C	ZINC000161244792	473219770	/nfs/dbraw/zinc/21/97/70/473219770.db2.gz	YRWJFMWTQUBECN-ROUUACIJSA-N	2	0	347.503	2.679	10	70		EFIERP
CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCC[NH+]1CCCCC1	ZINC000161382734	473230669	/nfs/dbraw/zinc/23/06/69/473230669.db2.gz	WDZYAXUDQMOOFN-INIZCTEOSA-N	2	0	325.497	2.852	10	70		EFIERP
C[NH+](C)Cc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1	ZINC000160241129	473099059	/nfs/dbraw/zinc/09/90/59/473099059.db2.gz	RHGPKEWMCLZRKF-UHFFFAOYSA-N	2	0	338.455	2.542	10	70		EFIERP
C[NH+](C)Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1	ZINC000160741260	473169924	/nfs/dbraw/zinc/16/99/24/473169924.db2.gz	YNNXWGBQIPRAGT-FQEVSTJZSA-N	2	0	339.483	2.651	10	70		EFIERP
Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCO2	ZINC000160221340	301903893	/nfs/dbraw/zinc/90/38/93/301903893.db2.gz	UNXGIGCHEZBKLE-IBGZPJMESA-N	2	0	331.504	2.824	10	70		EFIERP
CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1	ZINC000161168590	473214479	/nfs/dbraw/zinc/21/44/79/473214479.db2.gz	JFCVLGGPFUKMLK-LPHOPBHVSA-N	2	0	329.488	2.741	10	70		EFIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cn2)CC1	ZINC000159530157	473035704	/nfs/dbraw/zinc/03/57/04/473035704.db2.gz	GSNOUFJPRXGDHH-KRWDZBQOSA-N	2	0	346.519	2.659	10	70		EFIERP
CCC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)[NH+](C)C	ZINC000161254373	310707477	/nfs/dbraw/zinc/70/74/77/310707477.db2.gz	YZDICFKPPAVONA-RBUKOAKNSA-N	2	0	347.503	2.679	10	70		EFIERP
CCC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)[NH+](C)C	ZINC000161254248	310707568	/nfs/dbraw/zinc/70/75/68/310707568.db2.gz	YZDICFKPPAVONA-MOPGFXCFSA-N	2	0	347.503	2.679	10	70		EFIERP
CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000159511527	473034712	/nfs/dbraw/zinc/03/47/12/473034712.db2.gz	DWQSFFALBUHFEB-SFHVURJKSA-N	2	0	334.508	2.518	10	70		EFIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C)o3)cn2)CC1	ZINC000159536948	473037517	/nfs/dbraw/zinc/03/75/17/473037517.db2.gz	KLBVZXGGCWZNOK-MRXNPFEDSA-N	2	0	328.460	2.976	10	70		EFIERP
Cc1nccn1C[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1	ZINC000160025686	473081730	/nfs/dbraw/zinc/08/17/30/473081730.db2.gz	AUXRTWOXHKCKFS-GOSISDBHSA-N	2	0	346.519	2.941	10	70		EFIERP
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000160472089	473129502	/nfs/dbraw/zinc/12/95/02/473129502.db2.gz	MXZFBMZZJYERAL-GOSISDBHSA-N	2	0	340.556	2.726	10	70		EFIERP
C[NH+](C)Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1	ZINC000160741382	310702434	/nfs/dbraw/zinc/70/24/34/310702434.db2.gz	YNNXWGBQIPRAGT-HXUWFJFHSA-N	2	0	339.483	2.651	10	70		EFIERP
c1ccc(C[NH+]2CCC(OCCC[NH2+][C@H]3CCCOC3)CC2)cc1	ZINC000159741304	544798713	/nfs/dbraw/zinc/79/87/13/544798713.db2.gz	IHLOTQCOLALNCN-IBGZPJMESA-N	2	0	332.488	2.826	10	70		EFIERP
CCCC[C@H](COC)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1	ZINC000159511673	473033616	/nfs/dbraw/zinc/03/36/16/473033616.db2.gz	DWQSFFALBUHFEB-GOSISDBHSA-N	2	0	334.508	2.518	10	70		EFIERP
CC[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000159557679	529027740	/nfs/dbraw/zinc/02/77/40/529027740.db2.gz	YJMQIJRGPIOCDU-UHFFFAOYSA-N	2	0	344.503	2.520	10	70		EFIERP
Cc1ccc(C(=O)CC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1	ZINC000159371474	225206143	/nfs/dbraw/zinc/20/61/43/225206143.db2.gz	IZEVMNYJAQLLRZ-QGZVFWFLSA-N	2	0	332.488	2.592	10	70		EFIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1	ZINC000161283529	473223604	/nfs/dbraw/zinc/22/36/04/473223604.db2.gz	ZJEOIDMIICPZII-RLLQIKCJSA-N	2	0	343.515	2.744	10	70		EFIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C)o3)cn2)CC1	ZINC000159536812	473037480	/nfs/dbraw/zinc/03/74/80/473037480.db2.gz	KLBVZXGGCWZNOK-INIZCTEOSA-N	2	0	328.460	2.976	10	70		EFIERP
Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1	ZINC000160025556	473081205	/nfs/dbraw/zinc/08/12/05/473081205.db2.gz	AUXRTWOXHKCKFS-SFHVURJKSA-N	2	0	346.519	2.941	10	70		EFIERP
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000160471992	310699305	/nfs/dbraw/zinc/69/93/05/310699305.db2.gz	MXZFBMZZJYERAL-SFHVURJKSA-N	2	0	340.556	2.726	10	70		EFIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cn2)CC1	ZINC000159530027	473035901	/nfs/dbraw/zinc/03/59/01/473035901.db2.gz	GSNOUFJPRXGDHH-QGZVFWFLSA-N	2	0	346.519	2.659	10	70		EFIERP
CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)[C@H](C)C1	ZINC000161057294	473202593	/nfs/dbraw/zinc/20/25/93/473202593.db2.gz	BTFWKEXTQDJTDF-YLJYHZDGSA-N	2	0	339.483	2.717	10	70		EFIERP
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC1	ZINC000159665062	473049387	/nfs/dbraw/zinc/04/93/87/473049387.db2.gz	IIRQRGCFRJLSQR-QUCCMNQESA-N	3	0	330.520	2.758	10	70		EFIERP
CC(C)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCC1	ZINC000159434927	529002467	/nfs/dbraw/zinc/00/24/67/529002467.db2.gz	OALWXMHKVJRNNN-ABHNRTSZSA-N	2	0	338.540	2.526	10	70		EFIERP
CCC[C@H](C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)[NH+](C)C	ZINC000161270456	473222854	/nfs/dbraw/zinc/22/28/54/473222854.db2.gz	CNPPEQPATQOASY-LJQANCHMSA-N	2	0	346.519	2.806	10	70		EFIERP
Cc1ncc([C@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)c(C)n1	ZINC000160592244	473148303	/nfs/dbraw/zinc/14/83/03/473148303.db2.gz	LSVRJXDFMZYVCT-HNNXBMFYSA-N	2	0	340.471	2.776	10	70		EFIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cncs3)cn2)CC1	ZINC000159490961	473033211	/nfs/dbraw/zinc/03/32/11/473033211.db2.gz	YNUDOUHPCAGYPO-CQSZACIVSA-N	2	0	331.489	2.531	10	70		EFIERP
Cc1nccn1C[C@H]1CCC[N@H+]1CCN(C)Cc1ccc(F)cc1	ZINC000160025344	473081236	/nfs/dbraw/zinc/08/12/36/473081236.db2.gz	ZQQYXXNLPXEGRL-LJQANCHMSA-N	2	0	330.451	2.927	10	70		EFIERP
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC1	ZINC000159665205	524636287	/nfs/dbraw/zinc/63/62/87/524636287.db2.gz	IIRQRGCFRJLSQR-ICSRJNTNSA-N	2	0	330.520	2.758	10	70		EFIERP
Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCO2	ZINC000160221205	301909612	/nfs/dbraw/zinc/90/96/12/301909612.db2.gz	UNXGIGCHEZBKLE-LJQANCHMSA-N	2	0	331.504	2.824	10	70		EFIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cncc(F)c3)cn2)CC1	ZINC000159519977	473035732	/nfs/dbraw/zinc/03/57/32/473035732.db2.gz	XADJEOAYEGCZHR-OAHLLOKOSA-N	2	0	343.450	2.608	10	70		EFIERP
CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1	ZINC000159880947	473069250	/nfs/dbraw/zinc/06/92/50/473069250.db2.gz	PTRVRVJCJSMYIX-GOSISDBHSA-N	2	0	338.540	2.528	10	70		EFIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1	ZINC000160925035	473191663	/nfs/dbraw/zinc/19/16/63/473191663.db2.gz	YZBUTBRSOUFZOS-DAWZGUTISA-N	2	0	338.540	2.526	10	70		EFIERP
CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)[C@H](C)C1	ZINC000161057166	473202753	/nfs/dbraw/zinc/20/27/53/473202753.db2.gz	BTFWKEXTQDJTDF-XLIONFOSSA-N	2	0	339.483	2.717	10	70		EFIERP
COc1ccccc1C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)C	ZINC000160279020	206288641	/nfs/dbraw/zinc/28/86/41/206288641.db2.gz	HJYHKENUXLHAJR-FQEVSTJZSA-N	2	0	347.547	2.878	10	70		EFIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1	ZINC000161168464	206332835	/nfs/dbraw/zinc/33/28/35/206332835.db2.gz	JFCVLGGPFUKMLK-APWZRJJASA-N	2	0	329.488	2.741	10	70		EFIERP
CCC[C@@H](C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)[NH+](C)C	ZINC000161270337	206339436	/nfs/dbraw/zinc/33/94/36/206339436.db2.gz	CNPPEQPATQOASY-IBGZPJMESA-N	2	0	346.519	2.806	10	70		EFIERP
CCC[C@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)[NH+](C)C	ZINC000161244934	276038503	/nfs/dbraw/zinc/03/85/03/276038503.db2.gz	YRWJFMWTQUBECN-MSOLQXFVSA-N	2	0	347.503	2.679	10	70		EFIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cncc(F)c3)cn2)CC1	ZINC000159519827	473035264	/nfs/dbraw/zinc/03/52/64/473035264.db2.gz	XADJEOAYEGCZHR-HNNXBMFYSA-N	2	0	343.450	2.608	10	70		EFIERP
Cc1ccc(C(=O)CC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1	ZINC000159371600	225205339	/nfs/dbraw/zinc/20/53/39/225205339.db2.gz	IZEVMNYJAQLLRZ-KRWDZBQOSA-N	2	0	332.488	2.592	10	70		EFIERP
COc1ccccc1C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)C	ZINC000160278907	534108308	/nfs/dbraw/zinc/10/83/08/534108308.db2.gz	HJYHKENUXLHAJR-HXUWFJFHSA-N	2	0	347.547	2.878	10	70		EFIERP
CCC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)[NH+](C)C	ZINC000161254138	310707577	/nfs/dbraw/zinc/70/75/77/310707577.db2.gz	YZDICFKPPAVONA-OALUTQOASA-N	2	0	347.503	2.679	10	70		EFIERP
CCC[C@@H](C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)[NH+](C)C	ZINC000161245070	473220234	/nfs/dbraw/zinc/22/02/34/473220234.db2.gz	YRWJFMWTQUBECN-ZWKOTPCHSA-N	2	0	347.503	2.679	10	70		EFIERP
CC(C)[N@H+]1C[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)[C@@H](C)C1	ZINC000161317165	473225760	/nfs/dbraw/zinc/22/57/60/473225760.db2.gz	ACYHDDMRBSFLKL-YOEHRIQHSA-N	2	0	343.471	2.953	10	70		EFIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cncs3)cn2)CC1	ZINC000159490804	473032987	/nfs/dbraw/zinc/03/29/87/473032987.db2.gz	YNUDOUHPCAGYPO-AWEZNQCLSA-N	2	0	331.489	2.531	10	70		EFIERP
CCC[C@H](C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)[NH+](C)C	ZINC000161245169	473219939	/nfs/dbraw/zinc/21/99/39/473219939.db2.gz	YRWJFMWTQUBECN-QZTJIDSGSA-N	2	0	347.503	2.679	10	70		EFIERP
CC1(C)CC([NH2+]C2CCN(Cc3cccnc3)CC2)CC(C)(C)[NH2+]1	ZINC000159638930	473047446	/nfs/dbraw/zinc/04/74/46/473047446.db2.gz	IPJBTSVFQWDAQK-UHFFFAOYSA-N	2	0	330.520	2.945	10	70		EFIERP
Cc1nccn1C[C@@H]1CCC[N@H+]1CCN(C)Cc1ccc(F)cc1	ZINC000160025227	473081773	/nfs/dbraw/zinc/08/17/73/473081773.db2.gz	ZQQYXXNLPXEGRL-IBGZPJMESA-N	2	0	330.451	2.927	10	70		EFIERP
Cc1ncc([C@@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)c(C)n1	ZINC000160592123	473147859	/nfs/dbraw/zinc/14/78/59/473147859.db2.gz	LSVRJXDFMZYVCT-OAHLLOKOSA-N	2	0	340.471	2.776	10	70		EFIERP
CC(C)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCCC1	ZINC000159434812	528453429	/nfs/dbraw/zinc/45/34/29/528453429.db2.gz	OALWXMHKVJRNNN-DAWZGUTISA-N	2	0	338.540	2.526	10	70		EFIERP