smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNCCC[NH+]1CCOCC1	ZINC000020325530	558355575	/nfs/dbraw/zinc/35/55/75/558355575.db2.gz	SXKDLRQMEORYNZ-FOWTUZBSSA-N	1	0	406.483	0.765	50	10		HCCARO
COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(O)c1	ZINC000020906756	558420952	/nfs/dbraw/zinc/42/09/52/558420952.db2.gz	HTVNDZXYYVPROS-SFHVURJKSA-N	1	0	415.494	0.888	50	10		HCCARO
COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(O)c1	ZINC000020906758	558421114	/nfs/dbraw/zinc/42/11/14/558421114.db2.gz	HTVNDZXYYVPROS-GOSISDBHSA-N	1	0	415.494	0.888	50	10		HCCARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)N2CC[NH+](C)CC2)cc1	ZINC000022594254	568771223	/nfs/dbraw/zinc/77/12/23/568771223.db2.gz	KUQFUMLQTVPIOL-PMACEKPBSA-N	1	0	417.554	0.453	50	10		HCCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)N2CC[NH+](C)CC2)cc1	ZINC000022594259	568771228	/nfs/dbraw/zinc/77/12/28/568771228.db2.gz	KUQFUMLQTVPIOL-VQTJNVASSA-N	1	0	417.554	0.453	50	10		HCCARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CCCO2)N2CC[NH+](C)CC2)cc1	ZINC000022594264	568771238	/nfs/dbraw/zinc/77/12/38/568771238.db2.gz	KUQFUMLQTVPIOL-UXHICEINSA-N	1	0	417.554	0.453	50	10		HCCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCCO2)N2CC[NH+](C)CC2)cc1	ZINC000022594269	568771282	/nfs/dbraw/zinc/77/12/82/568771282.db2.gz	KUQFUMLQTVPIOL-WOJBJXKFSA-N	1	0	417.554	0.453	50	10		HCCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccon3)N3CC[NH+](C)CC3)ccc21	ZINC000022734292	557808001	/nfs/dbraw/zinc/80/80/01/557808001.db2.gz	TYEBYJMARWMTRV-SFHVURJKSA-N	1	0	412.494	0.710	50	10		HCCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccon3)N3CC[NH+](C)CC3)ccc21	ZINC000022734295	557807993	/nfs/dbraw/zinc/80/79/93/557807993.db2.gz	TYEBYJMARWMTRV-GOSISDBHSA-N	1	0	412.494	0.710	50	10		HCCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NC(C)(C)C)N3CC[NH+](C)CC3)ccc21	ZINC000022734465	557807997	/nfs/dbraw/zinc/80/79/97/557807997.db2.gz	UHPRUSXIPUZVRK-IBGZPJMESA-N	1	0	401.555	0.998	50	10		HCCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NC(C)(C)C)N3CC[NH+](C)CC3)ccc21	ZINC000022734468	557807984	/nfs/dbraw/zinc/80/79/84/557807984.db2.gz	UHPRUSXIPUZVRK-LJQANCHMSA-N	1	0	401.555	0.998	50	10		HCCARO
CC(C)CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1	ZINC000022734471	557807892	/nfs/dbraw/zinc/80/78/92/557807892.db2.gz	KNYGBUKLMYFXME-HXUWFJFHSA-N	1	0	401.555	0.856	50	10		HCCARO
CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1	ZINC000022734474	557808013	/nfs/dbraw/zinc/80/80/13/557808013.db2.gz	KNYGBUKLMYFXME-FQEVSTJZSA-N	1	0	401.555	0.856	50	10		HCCARO
CCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000022734994	557808261	/nfs/dbraw/zinc/80/82/61/557808261.db2.gz	YZFBIBZLZIHEOY-HXUWFJFHSA-N	1	0	401.555	1.000	50	10		HCCARO
CCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000022734997	557808221	/nfs/dbraw/zinc/80/82/21/557808221.db2.gz	YZFBIBZLZIHEOY-FQEVSTJZSA-N	1	0	401.555	1.000	50	10		HCCARO
COCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000022735029	557808249	/nfs/dbraw/zinc/80/82/49/557808249.db2.gz	UFGVRKMLIRRGSU-HXUWFJFHSA-N	1	0	417.554	0.236	50	10		HCCARO
COCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000022735032	557808240	/nfs/dbraw/zinc/80/82/40/557808240.db2.gz	UFGVRKMLIRRGSU-FQEVSTJZSA-N	1	0	417.554	0.236	50	10		HCCARO
CC(C)NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000022735235	557808197	/nfs/dbraw/zinc/80/81/97/557808197.db2.gz	VSWKVUCUMNMXFU-HXUWFJFHSA-N	1	0	401.555	0.998	50	10		HCCARO
CC(C)NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000022735238	557808209	/nfs/dbraw/zinc/80/82/09/557808209.db2.gz	VSWKVUCUMNMXFU-FQEVSTJZSA-N	1	0	401.555	0.998	50	10		HCCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCN2CCOCC2)[NH+]2CCCC2)cc1	ZINC000022998783	558984591	/nfs/dbraw/zinc/98/45/91/558984591.db2.gz	TVCCXENJOQWNKM-HXUWFJFHSA-N	1	0	417.554	0.454	50	10		HCCARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCN2CCOCC2)[NH+]2CCCC2)cc1	ZINC000022998785	558984526	/nfs/dbraw/zinc/98/45/26/558984526.db2.gz	TVCCXENJOQWNKM-FQEVSTJZSA-N	1	0	417.554	0.454	50	10		HCCARO
CN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1	ZINC000067602030	558987825	/nfs/dbraw/zinc/98/78/25/558987825.db2.gz	VCGBRLXCKZZAMT-UHFFFAOYSA-N	1	0	423.583	0.573	50	10		HCCARO
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1	ZINC000067613385	558989076	/nfs/dbraw/zinc/98/90/76/558989076.db2.gz	BXUMIWNICJBQAQ-GOSISDBHSA-N	1	0	423.583	0.573	50	10		HCCARO
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1	ZINC000067613389	558989060	/nfs/dbraw/zinc/98/90/60/558989060.db2.gz	BXUMIWNICJBQAQ-SFHVURJKSA-N	1	0	423.583	0.573	50	10		HCCARO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CCN(Cc4ccon4)CC3)CC2)cc1	ZINC000095466759	568624423	/nfs/dbraw/zinc/62/44/23/568624423.db2.gz	MXXACFSAAGLVEJ-OAQYLSRUSA-N	1	0	415.538	0.984	50	10		HCCARO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCN(Cc4ccon4)CC3)CC2)cc1	ZINC000095466760	568624421	/nfs/dbraw/zinc/62/44/21/568624421.db2.gz	MXXACFSAAGLVEJ-NRFANRHFSA-N	1	0	415.538	0.984	50	10		HCCARO
COC(=O)[C@H]1CN(C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C[C@@H](C)O1	ZINC000095996072	568678791	/nfs/dbraw/zinc/67/87/91/568678791.db2.gz	OMLAUOKUGWHOQG-YVWKXTFCSA-N	1	0	407.511	0.440	50	10		HCCARO
COC(=O)[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C[C@@H](C)O1	ZINC000095996073	568678814	/nfs/dbraw/zinc/67/88/14/568678814.db2.gz	OMLAUOKUGWHOQG-POAQFYNOSA-N	1	0	407.511	0.440	50	10		HCCARO
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCCN1CCOCC1	ZINC000100778135	559265573	/nfs/dbraw/zinc/26/55/73/559265573.db2.gz	OYFMLCNJPFMNBH-SDNWHVSQSA-N	1	0	423.267	0.838	50	10		HCCARO
N=C(N)NS(=O)(=O)c1ccc(N=CC2C(=O)OC3(CCCCC3)OC2=O)cc1	ZINC000101268500	560790879	/nfs/dbraw/zinc/79/08/79/560790879.db2.gz	KCBRSORSUFUYAX-UHFFFAOYSA-N	1	0	408.436	0.915	50	10		HCCARO
COC(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C[C@@H](C)O1	ZINC000222201791	568514313	/nfs/dbraw/zinc/51/43/13/568514313.db2.gz	OMLAUOKUGWHOQG-KPFFTGBYSA-N	1	0	407.511	0.440	50	10		HCCARO
COC(=O)[C@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C[C@@H](C)O1	ZINC000222201836	568514342	/nfs/dbraw/zinc/51/43/42/568514342.db2.gz	OMLAUOKUGWHOQG-IMFGXOCKSA-N	1	0	407.511	0.440	50	10		HCCARO
Cc1ccc(S(=O)(=O)NCCN[N+](=O)C2([N+](=O)[O-])COC(C)(C)OC2)cc1	ZINC000225417212	569039844	/nfs/dbraw/zinc/03/98/44/569039844.db2.gz	JXFNZYOSVKBODK-UHFFFAOYSA-N	1	0	403.437	0.883	50	10		HCCARO
CC1(C)OCC([N+](=O)[O-])([N+](=O)[N-]c2nonc2[N+](=O)Nc2nonc2N)CO1	ZINC000225423384	569039809	/nfs/dbraw/zinc/03/98/09/569039809.db2.gz	VKBCQRBPZGPOGW-UHFFFAOYSA-N	1	0	402.284	0.093	50	10		HCCARO