smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCC[C@H](N)C(=O)N1CCCCC1	ZINC000013561254	181322488	/nfs/dbraw/zinc/32/24/88/181322488.db2.gz	QKNZZHHRLYHBSF-QMMMGPOBSA-N	2	0	227.312	-1.010	10	30		BAEERP
NC(=[NH2+])N[C@@H](CC[NH3+])C(=O)N1CCCCC1	ZINC000013561255	181408234	/nfs/dbraw/zinc/40/82/34/181408234.db2.gz	GZARBUXJNLDHFQ-QMMMGPOBSA-N	2	0	227.312	-1.010	10	30		BAEERP
NC(=[NH2+])NN=Cc1nccc(C(N)=[NH2+])n1	ZINC000013861137	181187798	/nfs/dbraw/zinc/18/77/98/181187798.db2.gz	GKRVPBRMENPBRU-QLKAYGNNSA-N	2	0	206.213	-1.422	10	30		BAEERP
[NH3+]CCNC1=[NH+][C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000016052635	181356846	/nfs/dbraw/zinc/35/68/46/181356846.db2.gz	ZLIQDFHJGBHZAQ-JWXFUTCRSA-N	2	0	219.241	-3.610	10	30	in-vitro	BAEERP
CCOC(=O)CCNC(=[NH2+])NC(N)=[NH2+]	ZINC000028247511	170197993	/nfs/dbraw/zinc/19/79/93/170197993.db2.gz	YQAPKGDBMIWMSN-UHFFFAOYSA-N	2	0	201.230	-1.472	10	30		BAEERP
NC(=[NH2+])NN=Cc1cccc(C(N)=[NH2+])n1	ZINC000034218427	181195988	/nfs/dbraw/zinc/19/59/88/181195988.db2.gz	SIUOZCCDCANIQD-YIXHJXPBSA-N	2	0	205.225	-1.027	10	30		BAEERP
CC(=CC(C)N[NH+]=C(N)N)N=NC(N)=[NH2+]	ZINC000040973051	187458405	/nfs/dbraw/zinc/45/84/05/187458405.db2.gz	DFGLYSSSRMBBHL-XKZGMXHESA-N	2	0	212.261	-1.263	10	30		BAEERP
NC(=[NH2+])NC(=[NH2+])N1CCS(=O)(=O)CC1	ZINC000215532041	371572162	/nfs/dbraw/zinc/57/21/62/371572162.db2.gz	GEZOLWQIFDGREQ-UHFFFAOYSA-N	2	0	219.270	-2.075	10	30		BAEERP
NC(=[NH2+])NC(=[NH2+])N1CCS(=O)CC1	ZINC000215540342	342766447	/nfs/dbraw/zinc/76/64/47/342766447.db2.gz	ICFINOCOTBNSKJ-UHFFFAOYSA-N	2	0	203.271	-1.741	10	30		BAEERP
NC(=[NH2+])NC(=[NH2+])S[C@@H]1CC(=O)NC1=O	ZINC000215756438	371627357	/nfs/dbraw/zinc/62/73/57/371627357.db2.gz	HUAZVEYBLIWRBY-UWTATZPHSA-N	2	0	215.238	-1.657	10	30		BAEERP
NC(=[NH2+])NC(=[NH2+])S[C@H]1CC(=O)NC1=O	ZINC000215756493	371627487	/nfs/dbraw/zinc/62/74/87/371627487.db2.gz	HUAZVEYBLIWRBY-REOHCLBHSA-N	2	0	215.238	-1.657	10	30		BAEERP
CN(C)C(C)(C)CNC(=[NH2+])NC(N)=[NH2+]	ZINC000215924387	371659695	/nfs/dbraw/zinc/65/96/95/371659695.db2.gz	AFMNJALWRFCKKQ-UHFFFAOYSA-N	2	0	200.290	-1.085	10	30		BAEERP
CCNC(=O)[C@@H](C)NC(=[NH2+])NC(N)=[NH2+]	ZINC000215950533	371664205	/nfs/dbraw/zinc/66/42/05/371664205.db2.gz	KHIGMAUBMIXHEV-SCSAIBSYSA-N	2	0	200.246	-1.901	10	30		BAEERP
CCNC(=O)[C@H](C)NC(=[NH2+])NC(N)=[NH2+]	ZINC000215950581	371664042	/nfs/dbraw/zinc/66/40/42/371664042.db2.gz	KHIGMAUBMIXHEV-BYPYZUCNSA-N	2	0	200.246	-1.901	10	30		BAEERP
NC(=[NH2+])NC(=[NH2+])NC[C@@H]1COCCO1	ZINC000215974143	349963392	/nfs/dbraw/zinc/96/33/92/349963392.db2.gz	GVYKJZUYGDGUSY-RXMQYKEDSA-N	2	0	201.230	-2.010	10	30		BAEERP
NC(=[NH2+])NC(=[NH2+])NC[C@H]1COCCO1	ZINC000215974184	371669521	/nfs/dbraw/zinc/66/95/21/371669521.db2.gz	GVYKJZUYGDGUSY-YFKPBYRVSA-N	2	0	201.230	-2.010	10	30		BAEERP
CN1CC[N@H+](C)C[C@@H]1CN/C(N)=[NH+]/O	ZINC000225372524	350360351	/nfs/dbraw/zinc/36/03/51/350360351.db2.gz	VGIQAFAEOAFKDS-ZETCQYMHSA-N	2	0	201.274	-1.474	10	30		BAEERP
N/C(=[NH+]\O)N1CCC[N@H+](CCO)CC1	ZINC000227380122	371849409	/nfs/dbraw/zinc/84/94/09/371849409.db2.gz	MIQJZTUOMCJFDL-UHFFFAOYSA-N	2	0	202.258	-1.310	10	30		BAEERP
N[NH+]=C(N)N1CCC[N@H+](CCO)CC1	ZINC000227384390	344137935	/nfs/dbraw/zinc/13/79/35/344137935.db2.gz	IBFCQFQSKREEFZ-UHFFFAOYSA-N	2	0	201.274	-1.825	10	30		BAEERP
C[NH+]1CCC(O)(CNC(N)=[NH+]N)CC1	ZINC000306572556	360461173	/nfs/dbraw/zinc/46/11/73/360461173.db2.gz	GXEVSYCBGWKYRJ-UHFFFAOYSA-N	2	0	201.274	-1.779	10	30		BAEERP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1	ZINC000309657656	632621990	/nfs/dbraw/zinc/62/19/90/632621990.db2.gz	WQYHVONUXDBPSJ-HLTSFMKQSA-N	2	0	208.265	-1.176	10	30		BAEERP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC[NH2+]C1	ZINC000309657661	632621348	/nfs/dbraw/zinc/62/13/48/632621348.db2.gz	WQYHVONUXDBPSJ-IWSPIJDZSA-N	2	0	208.265	-1.176	10	30		BAEERP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1	ZINC000379465005	712384924	/nfs/dbraw/zinc/38/49/24/712384924.db2.gz	WQYHVONUXDBPSJ-CIUDSAMLSA-N	2	0	208.265	-1.176	10	30		BAEERP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[NH2+]C1	ZINC000379465006	712385024	/nfs/dbraw/zinc/38/50/24/712385024.db2.gz	WQYHVONUXDBPSJ-DJLDLDEBSA-N	2	0	208.265	-1.176	10	30		BAEERP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[NH2+]C1	ZINC000379465007	712384830	/nfs/dbraw/zinc/38/48/30/712384830.db2.gz	WQYHVONUXDBPSJ-XHNCKOQMSA-N	2	0	208.265	-1.176	10	30		BAEERP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1	ZINC000379465008	712384818	/nfs/dbraw/zinc/38/48/18/712384818.db2.gz	WQYHVONUXDBPSJ-YIZRAAEISA-N	2	0	208.265	-1.176	10	30		BAEERP
[NH3+]CC#CC(=O)Nc1ccnn1C1C[NH2+]C1	ZINC000725260013	582804102	/nfs/dbraw/zinc/80/41/02/582804102.db2.gz	MEHRQAZZHOLPCG-UHFFFAOYSA-N	2	0	219.248	-1.072	10	30		BAEERP