smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@@H]2c1ccc(O)c(O)c1	ZINC000104279774	206000186	/nfs/dbraw/zinc/00/01/86/206000186.db2.gz	XNSYTEQVOICYPE-HNNXBMFYSA-N	1	2	357.370	0.624	40	10		FCCBLO
CCN1C(=O)[C@H]2[C@H](c3ccc(N(C)C)cc3)[NH2+][C@@](C)(C(=O)OC)[C@@H]2C1=O	ZINC000004856728	204170893	/nfs/dbraw/zinc/17/08/93/204170893.db2.gz	CXGCEDVXGMNZMU-MMMWYMCRSA-N	1	2	359.426	0.950	40	10		FCCBLO
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCCC[NH+]1CCOCC1	ZINC000100642810	206223868	/nfs/dbraw/zinc/22/38/68/206223868.db2.gz	YBAJDEKMKDMERI-KAMYIIQDSA-N	1	2	362.386	0.054	40	10		FCCBLO
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(N(C)C)cc1)[NH2+][C@@]2(C)C(=O)OC	ZINC000019526734	487604490	/nfs/dbraw/zinc/60/44/90/487604490.db2.gz	CXGCEDVXGMNZMU-XTDOFWJNSA-N	1	2	359.426	0.950	40	10		FCCBLO
CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](C)(C(=O)OC)[NH2+][C@@H]2c1ccc(N(C)C)cc1	ZINC000004856735	204170631	/nfs/dbraw/zinc/17/06/31/204170631.db2.gz	CXGCEDVXGMNZMU-NXEZDXNNSA-N	1	2	359.426	0.950	40	10		FCCBLO
CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000020150361	220315939	/nfs/dbraw/zinc/31/59/39/220315939.db2.gz	LMTNFLKNDLPTEY-XLPNERPQSA-N	1	2	359.426	0.950	40	10		FCCBLO
C[NH+]1CCN(Cc2cc([N+](=O)[O-])cc(CN3CC[NH+](C)CC3)c2[O-])CC1	ZINC000039379133	487810147	/nfs/dbraw/zinc/81/01/47/487810147.db2.gz	LCARYNFINKHQOB-UHFFFAOYSA-N	1	2	363.462	0.795	40	10		FCCBLO
CC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245229720	523551661	/nfs/dbraw/zinc/55/16/61/523551661.db2.gz	DUEHFAXTXDYXTH-GJRWTSMGSA-N	1	2	359.426	0.950	40	10		FCCBLO
COc1ccc(N2C(=O)NC(=O)C(=CNN3CC[NH+](C)CC3)C2=O)cc1	ZINC000038163607	1245294529	/nfs/dbraw/zinc/29/45/29/1245294529.db2.gz	PSOFVMWZZKJJDM-KAMYIIQDSA-N	1	2	359.386	0.754	40	10		FCCBLO
CC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420234	488494184	/nfs/dbraw/zinc/49/41/84/488494184.db2.gz	DUEHFAXTXDYXTH-YGTYGHESSA-N	1	2	359.426	0.950	40	10		FCCBLO
NC(N)=[NH+]NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000038162511	1245294543	/nfs/dbraw/zinc/29/45/43/1245294543.db2.gz	UZPAECHZLFGQRQ-YVMONPNESA-N	1	2	367.163	0.744	40	10		FCCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000020150364	487610036	/nfs/dbraw/zinc/61/00/36/487610036.db2.gz	LMTNFLKNDLPTEY-NRTGNBEESA-N	1	2	359.426	0.950	40	10		FCCBLO
CC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000229923590	488452378	/nfs/dbraw/zinc/45/23/78/488452378.db2.gz	DUEHFAXTXDYXTH-GPINWOSQSA-N	1	2	359.426	0.950	40	10		FCCBLO
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420149	488494143	/nfs/dbraw/zinc/49/41/43/488494143.db2.gz	LMTNFLKNDLPTEY-QCUYGVNKSA-N	1	2	359.426	0.950	40	10		FCCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245230092	521353449	/nfs/dbraw/zinc/35/34/49/521353449.db2.gz	LMTNFLKNDLPTEY-NXEZDXNNSA-N	1	2	359.426	0.950	40	10		FCCBLO
CC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245229721	523551882	/nfs/dbraw/zinc/55/18/82/523551882.db2.gz	DUEHFAXTXDYXTH-ZTENYAIWSA-N	1	2	359.426	0.950	40	10		FCCBLO
Cc1ccccc1N1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)NC1=S	ZINC000102705245	1191118836	/nfs/dbraw/zinc/11/88/36/1191118836.db2.gz	SPILQTIEQOCKAG-OWBHPGMISA-N	1	2	374.466	0.960	40	10		FCCBLO
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(N(C)C)cc1)[NH2+][C@@]2(C)C(=O)OC	ZINC000019526735	220269171	/nfs/dbraw/zinc/26/91/71/220269171.db2.gz	CXGCEDVXGMNZMU-XMDUPGNXSA-N	1	2	359.426	0.950	40	10		FCCBLO
CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)[NH2+][C@@](C)(C(=O)OC)[C@H]2C1=O	ZINC000245229675	521531348	/nfs/dbraw/zinc/53/13/48/521531348.db2.gz	CXGCEDVXGMNZMU-QCUYGVNKSA-N	1	2	359.426	0.950	40	10		FCCBLO
CC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000019500727	211226409	/nfs/dbraw/zinc/22/64/09/211226409.db2.gz	DUEHFAXTXDYXTH-XLPNERPQSA-N	1	2	359.426	0.950	40	10		FCCBLO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)NC(=O)NC2=O)CC1	ZINC000059488779	529777553	/nfs/dbraw/zinc/77/75/53/529777553.db2.gz	RYLJVSHZQAHKOH-UHFFFAOYSA-N	1	2	359.342	0.936	40	10		FCCBLO
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000020150362	211271112	/nfs/dbraw/zinc/27/11/12/211271112.db2.gz	LMTNFLKNDLPTEY-XMDUPGNXSA-N	1	2	359.426	0.950	40	10		FCCBLO
CC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000019500729	220263471	/nfs/dbraw/zinc/26/34/71/220263471.db2.gz	DUEHFAXTXDYXTH-HRLGVUPISA-N	1	2	359.426	0.950	40	10		FCCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000231643427	210179353	/nfs/dbraw/zinc/17/93/53/210179353.db2.gz	LMTNFLKNDLPTEY-DEXNDLTESA-N	1	2	359.426	0.950	40	10		FCCBLO
CC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000019500726	211226226	/nfs/dbraw/zinc/22/62/26/211226226.db2.gz	DUEHFAXTXDYXTH-XMDUPGNXSA-N	1	2	359.426	0.950	40	10		FCCBLO
Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@H]2c1ccc(O)c(O)c1	ZINC000104279780	222354086	/nfs/dbraw/zinc/35/40/86/222354086.db2.gz	XNSYTEQVOICYPE-OAHLLOKOSA-N	1	2	357.370	0.624	40	10		FCCBLO
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(N(C)C)cc1)[NH2+][C@]2(C)C(=O)OC	ZINC000229994609	488452533	/nfs/dbraw/zinc/45/25/33/488452533.db2.gz	CXGCEDVXGMNZMU-XLPNERPQSA-N	1	2	359.426	0.950	40	10		FCCBLO
CC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420232	222242431	/nfs/dbraw/zinc/24/24/31/222242431.db2.gz	DUEHFAXTXDYXTH-QCUYGVNKSA-N	1	2	359.426	0.950	40	10		FCCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245230093	521353039	/nfs/dbraw/zinc/35/30/39/521353039.db2.gz	LMTNFLKNDLPTEY-XTDOFWJNSA-N	1	2	359.426	0.950	40	10		FCCBLO
CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420146	222243516	/nfs/dbraw/zinc/24/35/16/222243516.db2.gz	LMTNFLKNDLPTEY-YGTYGHESSA-N	1	2	359.426	0.950	40	10		FCCBLO
CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)[NH2+][C@](C)(C(=O)OC)[C@H]2C1=O	ZINC000245229676	521531956	/nfs/dbraw/zinc/53/19/56/521531956.db2.gz	CXGCEDVXGMNZMU-YGTYGHESSA-N	1	2	359.426	0.950	40	10		FCCBLO